ALBERT

Description: Current questions in ecology revolve around instabilities in the dynamics on spatial networks and particularly the effect of node heterogeneity. We extend the master stability function formalism to inhomogeneous biregular networks having two types of spatial nodes. Notably, this class of systems also allows the investigation of certain types of dynamics on higher-order networks. Combined with the generalized modeling approach to study the linear stability of steady states, this is a powerful tool to numerically asses the stability of large ensembles of systems. We analyze the stability of ecological metacommunities with two distinct types of habitats analytically and numerically in order to identify several sets of conditions under which the dynamics can become stabilized by dispersal. Our analytical approach allows general insights into stabilizing and destabilizing effects in metapopulations. Specifically, we identify self-regulation and negative feedback loops between source and sink populations as stabilizing mechanisms and we show that maladaptive dispersal may be stable under certain conditions.

Description: portfolio available for a species to cope with and mitigate effects of climate change. Here, we quantified variation in larval survival and physiological rates of Carcinus maenas among populations occurring in distant or contrasting habitats (Cádiz: Spain, Helgoland: North Sea, Kerteminde: Baltic Sea). During the reproductive season, we reared larvae of these populations, in the laboratory, under a combination of several temperatures (15–24 °C) and salinities (25 and 32.5 PSU). In survival, all three populations showed a mitigating effect of high temperatures at lower salinity, with the strongest pattern for Helgoland. However, Cádiz and Kerteminde differed from Helgoland in that a strong thermal mitigation did not occur for growth and developmental rates. For all populations, oxygen consumption rates were driven only by temperature; hence, these could not explain the growth rate depression found at lower salinity. Larvae from Cádiz, reared in seawater, showed increased survival at the highest temperature, which differs from Helgoland (no clear survival pattern), and especially Kerteminde (decreased survival at high temperature). These responses from the Cádiz population correspond with the larval and parental habitat (i.e., high salinity and temperature) and may reflect local adaptation. Overall, along the European coast, C. maenas larvae showed a diversity of responses, which may enable specific populations to tolerate warming and subsidise more vulnerable populations. In such case, C. maenas would be able to cope with climate change through a spatial portfolio effect.

Description: Submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: The morphology of a shoreline can provide insight into the processes that have modified the coast. This thesis investigates how coastal processes can leave fingerprints on the morphology of a coast in sandy environments (barrier islands) and detachment-limited environments (rocky coasts of Earth and possibly Titan). Barrier islands are dynamic and ephemeral, facing an uncertain future from climate change and anthropogenic redistribution of sediment. To evaluate barrier resilience to sea-level rise, I propose a novel dimensionless metric called the Washover Ratio which compares cross-shore (overwash) and alongshore transport. Using this ratio, I find that decreases in overwash flux within the narrow middle section—possibly representing the effects of development—lead to a diminished response to sea-level rise across the entire barrier, and therefore a more vulnerable barrier overall. Further investigation of the balance between overwash and alongshore sediment transport allows for an evaluation of barrier island stability to overwash-induced breaching, which is applied to barriers in the Gulf of Mexico. Beyond Earth, Titan, Saturn’s largest moon, is home to the only other active coastlines in our solar system. However, data is sparse for this icy moon. I investigate the signatures of coastal processes found in the planform shape of its coasts using a combination of landscape evolution models and measurements of shoreline shape. Results show that the coastlines of Titan’s seas are consistent with those of both modelled and Earth lakes with flooded river valleys that have been subsequently eroded by waves, particularly when waves saturate (no longer grow in height) at scales up to 10s of km.

Description: Work toward this thesis was funded by the National Science Foundation (NSF) and National Aeronautics and Space Administration (NASA). NSF funding was awarded through the Graduate Research Fellowship Program (#1745302) and the Coupled Natural Hazards program (#CNH-1518503). NASA funding was awarded through the Cassini Data Analysis Program (#80NSSC18K1057) and (#80NSSC20K0484).

Description: Submitted in partial fulfillment of the requirements for the degree of Master of Science in Mechanical Engineering at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: The search for underwater threats in littoral regions is a problem that has been researched for nearly a century. However, recent developments in autonomy and robotics have made this issue more complex. The advent of capable autonomous underwater vehicles presents a 21st century flare to this traditional problem. These vehicles can be smaller, quieter, and expendable. Therefore, new methods and tactics used to detect and track these vehicles are needed. The use of a swarm of marine robots can increase the likelihood of uncovering these threats. This thesis provides various Voronoi partition-based methods to autonomously control a swarm of identically capable autonomous surface vessels in a limited coverage and tracking problem. These methods increase the probability of interdiction of an adversary vehicle crossing a defined region. The results achieved from Monte Carlo simulations demonstrate how different protocols of swarm movement can improve detection probability as compared to a stationary swarm provided the detection capability does not change. The swarm control algorithms are employed on Clearpath Heron USVs to validate the autonomy algorithms.

Description: Submitted in partial fulfillment of the requirements for the degree of Master of Science at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: Acoustic propagation measurements are made in a highly variable and stratified estuary using high frequency transducers (120kHz) on tripods placed across the main channel of the river flow. The measurements are taken in the Connecticut River across several tidal cycles, when the flood tide causes a wedge of seawater to press up the river bed, beneath the fresh water, and then be eroded and pushed back out during the ebb. BELLHOP, implemented via Matlab, is a beam/ray tracing method and is used to model the acoustic propagation in this environment using collected temperature, salinity, and depth data. Multiple modeling comparisons are done over the period of three full tidal cycles, totaling a thousand separate modeling runs and compiled into a time series. Arrival times measurements from the transducer system were able to be accurately modeled, validating BELLHOP as a useful tool in modeling this very dynamic and challenging acoustic environment.

Description: This thesis would not have been possible with the data collected by Dr. Andone Lavery, Jonathan Fincke and others, originally funded by the Office of Naval Research (through ONR Grant #N00014-11-10058).

Description: Submitted in partial fulfillment of the requirements for the degree of Master of Science in Chemical Oceanography at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: The environmental effects of both increased urbanization and eutrophication are of growing global concern. Coastal areas, like those found on Cape Cod, Massachusetts, often experience severe impacts associated with the biogeochemical effects accompanying increased nitrogen pollution. Cape Cod is home to roughly 1,000 ponds and lakes which play an important role in local ecosystems, but the cycling of nitrogen in these waters is not well understood. The goal of this research is to identify the major biogeochemical cycling processes responsible for the fate of nitrogen in a nitrogen-rich, coastal, stratified pond. The investigation was carried out through regular high-resolution measurement and monitoring of environmental conditions, nitrogen speciation, and isotopic composition over the course of a summer. Elevated nitrogen concentrations coupled with strong redox gradients make Siders Pond an ideal place for studying dynamics of nitrogen transformations, giving insight into nitrogen retention or removal, which influence water quality. These data demonstrate significant dissolved nitrogen loss from the pond over the course of the summer as well as internal nitrogen cycling that promotes dissolved nitrogen accumulation to extreme levels in the deepest depths. The physical dynamics of mixing promote a coupling of nitrification and denitrification across this redox gradient, driving N loss while also supplying the sunlit waters with nutrient-rich deep water. A simple time-resolved box model suggests that approximately 50% of the upwardly delivered N is removed, while the other portion supports recycling through photosynthetic uptake. While dissolved organic nitrogen (DON) is widely considered refractory material and is rarely measured or reported in environmental studies, here there is evidence for a large and dynamic pool of DON within Siders Pond suggesting important dynamics between organic and inorganic pools in regulating N loss. While nitrate is a commonly used measurement for assessing N contamination, this work highlights the parallel importance of monitoring additional species (including ammonium and DON) for determining eutrophication/contamination. A deeper understanding of Siders Pond can be used to elucidate nitrogen cycling dynamics in analogous redox-stratified systems, including other lakes and ponds, or modern ocean regions such as the Santa Barbara and Cariaco Basins and the Baltic and Black Seas.

Description: National Science Foundation (project number NSF-1924236)

Description: Submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: With the rapid decline of coastal ecosystems such as coral reefs and seagrasses, it is crucial to better understand the health of these ecosystem to prevent future loss. Reactive oxygen speices (ROS), such as superoxide and hydrogen peroxide, play an underappreciated role in both organism health and ecosystem biogeochemical cycles. This thesis lays the foundation to measure and identify ROS production by coral in situ and through genomic analysis while also highlighting the important role that ROS can play within biogeochemical cycling within seagrass ecosystems. To measure in situ extracellular superoxide, we develop the first DIver-operated Submersible Chemiluminescent sensOr (DISCO), enabling high resolution, non-invasive measurements in real time. We further refine DISCO by making it more compact, user-friendly, adaptable, and robust, enabling measurements of superoxide across a diversity of environments. Using DISCO, I observe species-specific variation in extracellular superoxide concentrations associated with healthy coral. Despite these variations across species, bioinformatic analysis of coral proteins reveal that nearly all coral species have the extracellular superoxide-producing enzyme NADPH oxidase (NOX), and thus the genetic potential to produce extracellular superoxide. This suggests that coral species likely exhibit differential NOX regulation and expression as a function of physiological responses to external stressors, which may play a role in coral immunity. I then turn to seagrass ecosystems, where I observe rapid hydrogen peroxide production and decay through predominantly reductive pathways. This has implications on the environmental redox state and biogeochemical cycling, impacting the ecosystem services that seagrasses provide to marine environments and coastal communities. Overall, this thesis highlights the potential role that ROS may be playing in organism and ecosystem health and lays the groundwork to further develop ROS as a tool to protect these coastal ecosystems against further degradation.

Description: Funding for this work was provided by the following grants: NSF GRFP (2016230168), Schmidt Marine Technology Partners (G-1801-57385 andG-2010-59878), WHOI Ocean Ventures Fund (2020 and 2021), and the MIT Wellington and Irene Loh Fund Fellowship (4000111995).

Description: Submitted in partial fulfillment of the requirements for the degree of Master of Science in Mechanical Engineering at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: This thesis presents an Autonomous Underwater Glider (AUG) architecture with improved onboard navigation and acoustics-based sensing intended to enable basin-scale unattended surveys of our Earth’s most remote oceans. Traditional AUGs have long-been an important platform for oceanographic surveys due to their high endurance and autonomy, yet lack the operational flexibility to operate in many regions of scientific interest and the sensing capability to capture scientific data at the air-sea interface. Particularly of interest is the marginal ice zone (MIZ) in the Arctic and the Southern Ocean, as both are vitally important to understanding global climate trends, yet prohibitively expensive to persistently monitor with support vessels. To fill this observational gap, the sensing, navigation, and adaptability of AUGs must be improved. This is possible by employing onboard acoustic sensing for sea state observation and navigation, as well as incorporating vehicle improvements targeting maneuverability and intelligent adaptability to evolving environmental states. To enable persistent monitoring of both the water-column and air-sea interface, this thesis proposes an improved vehicle architecture for a more capable AUG, a real-time DVLaided navigation process that leverages ocean current sensing to limit localization error, and a subsea acoustics-based sea state characterization method capable of analyzing wave spectra under-ice and with zero surface expression. These methods are evaluated with respect to extensive laboratory experiments and field data collected during in-situ implementation.

Description: Support for this research was provided through grants from the National Science Foundation (NSF) Navigating the New Arctic Grant (NNA #1839063) and the National Ocean Partnership Program (NOPP) Enhanced Propulsion Integrated Capability - Deep Autonomous Underwater Glider (EPIC-DAUG) grant (NA19OAR0110408).

Description: Submitted in partial fulfillment of the requirements for the degree of Master of Science at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: The goal of this project is to investigate the relationship between paleoceanographic radiocarbon records and the ventilation history of deep oceanic basins during the last 40 kyrs. Deep ocean ventilation changes, especially changes in Atlantic meridional overturning circulation (AMOC), are often invoked to explain the deglacial rise in atmospheric carbon dioxide (CO2) concentration as inferred from ice core records. Much of our current understanding regarding ventilation of the deep ocean during the deglaciation comes from records of the radiocarbon concentration of benthic foraminifera and deep-sea corals (paleo-Δ14C data). Here, we combine a global compilation of paleo-Δ14C data for the past 40 kyrs with a 16-box model of the world ocean (except the Arctic Ocean) to address two key questions: (1) To what extent can the paleo-Δ14C data be explained by atmospheric Δ14C variations when deep ventilation rates are fixed to modern ocean estimates? and (2) To what extent can the paleo- Δ 14C data be explained by atmospheric Δ 14C variations when the ventilation rates are allowed to vary? To address these questions, the box model is fitted to the paleo-Δ14C data using the following sequential methods of optimal estimation theory: the linear Kalman filter, the Extended Kalman Filter, the Rauch-Tung-Striebel (RTS) smoother, and a linearized RTS smoother. We find that 62–76% (depending on the assumptions made about air-sea 14CO2 exchange) of the paleo-Δ 14C data for the past 40 kyrs can be explained by the modern flow rates as represented in the box model, if the model is forced with the IntCal20 reconstruction of atmospheric Δ14C. When the flow rates in the model are allowed to vary with time, 74-89% of the data can be explained by the model. Here, the range in data that can be explained reflects the different assumptions about the errors in the air-sea 14CO2 exchange and in the random walk used to model the temporal evolution of flow rates. It is concluded that changes in deep ocean ventilation may have occurred from 20 and 10 ka, thereby contributing to the deglacial CO2 rise, but that the spatial pattern of ventilation changes may have been complex, with a strengthening of the downwelling branch of the AMOC and a weakening of its deep southward branch during this time.

Description: This project was supported by the United States National Science Foundation, grant number 1903427, which made this work possible.

Description: Submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: Automated information gathering allows exploration of environments where data is limited and gathering observations introduces risk, such as underwater and planetary exploration. Typically, exploration has been performed in service of a query, with a unique algorithm developed for each mission. Yet this approach does not allow scientists to respond to novel questions as they are raised. In this thesis, we develop a single approach for a broad range of adaptive sampling missions with risk and limited prior knowledge. To achieve this, we present contributions in planning adaptive missions in service of queries, and modeling multi-attribute environments. First, we define a query language suitable for specifying diverse goals in adaptive sampling. The language fully encompasses objectives from previous adaptive sampling approaches, and significantly extends the possible range of objectives. We prove that queries expressible in this language are not biased in a way that avoids information. We then describe a Monte Carlo tree search approach to plan for all queries in our language, using sample based objective estimators embedded within tree search. This approach outperforms methods that maximize information about all variables in hydrocarbon seep search and fire escape scenarios. Next, we show how to plan when the policy must bound risk as a function of reward. By solving approximating problems, we guarantee risk bounds on policies with large numbers of actions and continuous observations, ensuring that risks are only taken when justified by reward. Exploration is limited by the quality of the environment model, so we introduce Gaussian process models with directed acyclic structure to improve model accuracy under limited data. The addition of interpretable structure allows qualitative expert knowledge of the environment to be encoded through structure and parameter constraints. Since expert knowledge may be incomplete, we introduce efficient structure learning over structural models using A* search with bounding conflicts. By placing bounds on likelihood of substructures, we limit the number of structures that are trained, significantly accelerating search. Experiments modeling geographic data show that our model produces more accurate predictions than existing Gaussian process methods, and using bounds allows structure to be learned in 50% of the time.

Description: The work in this thesis was supported by the Exxon Mobil Corporation as part of the MIT Energy Initiative under the project ‘Autonomous System for Deep Sea Hydrocarbon Detection and Monitoring’, NASA’s PSTAR program under the project ‘Cooperative Exploration with Under-actuated Autonomous Vehicles in Hazardous Environments’, and the Vulcan Machine Learning Center for Impact under the project ‘Machine Learning Based Persistent Autonomous Underwater Scientific Studies’.

Description: Submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: Microorganisms are the dominant life form on Earth and inextricably tied to the ecology and evolution of all multicellular life, including marine animals. As the importance of microorganisms to our conception of life gains prominence, animals (and other macroorganisms) are increasingly viewed as “holobionts”, an assemblage of the host plus all its symbiotic microbes. This dissertation examines holobiont biology from the perspective of the microbial communities that live in and around marine hosts. Using both amplicon and metagenomic sequencing, I study the microbiomes of reef-associated seawater and Atlantic killifish to better understand habitat and host effects on microbiome structure. In two Caribbean reef systems, I used examined the biogeography of reef water microbes. I found that the microbiome of reef seawater varies with reef system and individual reefs but that microbiomes within individual reefs were similar to each other and did not vary with benthic composition. The regionalism of reef seawater microbiomes was further assessed upon incorporation of global scale data from five additional studies, which revealed that microbial communities were more distinct with increasing geographic distance. These results contribute to our understanding of the coral holobiont’s microbial environment and can inform monitoring efforts for reef health. Atlantic killifish populations can be categorized as sensitive or tolerant to industrial pollutants based on history of pollutant exposure. Thus, they are an excellent “natural laboratory” for understanding the combined effect of environment and host on microbiome composition. I examined the gut microbiomes of two populations of wild fish as well as captive fish originating from each of these wild populations. I found that living in and adapting to polluted waters can impact microbiome composition and structure, resulting in a microbiome that appears more disordered. Additionally, captivity resulted in a complete turnover of dominant microbial taxa, indicating the environment plays a large role in shaping killifish gut microbiomes. This dissertation demonstrates that diverse systems, from coral reefs to killifish, can benefit from a better understanding of its associated microorganisms. For holobiont studies, these results highlight the importance of considering the context of microbial communities, from environment to host population.

Description: My time in the MIT-WHOI Joint Program was supported by the Civil and Environmental Engineering department at MIT, the Schoettler scholarship fund, the National Science Foundation, and the Academic Programs Office at WHOI. The research presented here was supported by Rockefeller Philanthropy Advisors, the Dalio Foundation, and NSF awards OCE-1938147 and NSF OCE-1928761 to Amy Apprill; Joint Initiative Funds from the W. Andrew Mellon Foundation to Amy Apprill and Mark Hahn; and Ocean Venture Fund to Lei Ma.

Description: Submitted in partial fulfillment of the requirements for the degree of Master of Science in Mechanical Engineering at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: This thesis encompasses an analysis of underwater ambient noise collected by the yearlong Canada Basin Acoustic Propagation Experiment (CANAPE) on the Chukchi Shelf of the Arctic. This location contained the Beaufort Duct, a significant effect of climate change on the Arctic’s underwater soundscape. A study of the statistical and probability metrics was conducted on a frequency band of 50-1900 Hz to examine the relation between environmental drivers and noise patterns. The presence of ice typically decreases broadband ambient noise, when compared to ice-free seas. However, the Beaufort Duct under ice increases the ambient noise levels below 1 kHz. The relationship between ambient noise and the environment is further explored by studying the link between distant ice movements and ambient levels Correlation between the two is found to exist from 300-1500 Hz, as distant ( 500 km) ice drift motion appears to drive noise levels at the receiver.

Description: Funding sources include the US Navy and Office of Naval Research.

Description: Submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution February 2023.

Description: In this thesis, I use geodynamic models to study processes within the Earth’s mantle and cryosphere. I begin by quantifying previously unconsidered sources of magmatic CO2. In Chapter 2, I predict how small concentrations of CO2 found in passively upwelling mantle throughout ocean basins may generate low-degree carbonate melting. I find the flux of CO2 segregated by these melts rivals the flux from mid-ocean ridges. In Chapter 3, I model how the deglaciation of the Yellowstone ice cap caused a reduction in mantle pressures and enhanced melting 19-fold. I predict the additional melting segregates a globally-significant mass of CO2, potentially playing a role in positive feedbacks between deglaciation and climate. I suggest enhanced melting may be important in other magmatically-active, continental settings undergoing rapid deglaciation — for instance, under the collapse of the West Antarctic Ice Sheet (WAIS). This thesis next explores glaciological factors controlling WAIS stability, associated with the fracturing of ice sheet margins supported by floating ice shelves. The Marine Ice Cliff Instability posits ice cliffs above a critical height collapse under their own weight, initiating runaway ice sheet retreat. In Chapter 4, I model the formation of marine ice cliffs, as an Antarctic ice shelf is removed. I show that over ice-shelf collapse timescales longer than a few days (consistent with observations), ice cliffs comprised of intact ice are more stable, undergoing viscous flow rather than brittle fracture. I next investigate interactions between viscous and brittle processes, guided by observations on a modern Antarctic ice shelf. In Chapter 5, I model deformation at the McDonald Ice Rumples (MIR), formed as the Brunt Ice Shelf is grounded into a bathymetric high. The MIR are characterized by concentric folds intersected by radial fractures, implying viscous and brittle behavior, respectively. I interpret these features to constrain ice rheology and strength. More broadly, this final chapter highlights how leveraging glaciological observations as natural experiments places constraints on the phenomenological laws which govern ice and (analogously) mantle flow. In summary, jointly developing models of both ice and mantle flow better constrains the dynamics of each system (solid Earth and cryosphere) and their interactions.

Description: I was funded by an NSF Graduate Research Fellowship, WHOI’s Karen L. Von Damm Fellowship, and NSFGEO-NERC grant 1853918.

Description: Submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy in Mechanical and Oceanographic Engineering at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution February 2023.

Description: To predict and mitigate anthropogenic impacts on the ocean, we must understand the underlying systems that govern the ocean’s response to inputs (e.g. carbon dioxide, pollutants). Analytical models can be used to generate predictions and simulate intervention strategies, but they must be grounded with empirical observations. Unfortunately, there exists a technological gap: in situ instrumentation is often lacking or nonexistent for key parameters influenced by anthropogenic inputs. While discrete bottle samples can be collected and analyzed for these parameters, their limited spatiotemporal resolution constrains scientific inquiry. To help fill the technological gap, this dissertation presents the development of instrumentation for the ocean inorganic carbon system and microplastics. The first few chapters present the development process of CSPEC, a deep-sea laser spectrometer designed to measure the ocean carbon system through alternating measurements of the partial pressure of carbon dioxide (pCO2) and dissolved inorganic carbon (DIC). CSPEC uses tunable diode laser absorption spectroscopy (TDLAS) to measure the CO2 content of dissolved gas extracted via a membrane inlet. Chapter 2 derives membrane equilibration dynamics from first principles, thus enabling informed design decisions. The analytical results showed that cross-sensitivity to other dissolved gases can be introduced by the equilibration method, regardless of the specificity of the gas-side instrumentation. A new method, hybrid equilibration, leverages the membrane equilibration dynamics to improve time response without incurring cross-sensitivity. Chapter 3 presents POCO, a surface pCO2 instrument that employs TDLAS and a depth-compatible membrane inlet. Through laboratory and field-testing, POCO demonstrated that hybrid equilibration overcame the gas flux limitation of deep-sea membrane inlets. Chapter 4 presents CSPEC, which successfully mapped the carbon system near different hydrothermal features at 2000 m in Guaymas Basin, becoming one of the first DIC instruments field-tested at depth. Chapter 5 introduces impedance spectroscopy for quantifying microplastics directly in water. Microplastics were successfully counted, sized, and differentiated from biology in the laboratory: a step toward in situ quantification. The analytical tools and measurement systems presented in this dissertation represent a significant step towards increasing the spatiotemporal resolution of carbon system and microplastic measurements, thus enabling broader scientific inquiry in the future.

Description: This research was supported by the following funding sources: NSF Grant # OCE-1454067 NSF Grant # OCE-184-2053 Link Foundation Ocean Engineering and Instrumentation Ph.D. Fellowship MITMartin Family Society of Fellows for Sustainability Richard Saltonstall Charitable Foundation National Academies Keck Future Initiative (NAFKI DBS13)

Description: Submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: How do we collect observational data that reveal fundamental properties of scientific phenomena? This is a key challenge in modern scientific discovery. Scientific phenomena are complex—they have high-dimensional and continuous state, exhibit chaotic dynamics, and generate noisy sensor observations. Additionally, scientific experimentation often requires significant time, money, and human effort. In the face of these challenges, we propose to leverage autonomous decision-making to augment and accelerate human scientific discovery. Autonomous decision-making in scientific domains faces an important and classical challenge: balancing exploration and exploitation when making decisions under uncertainty. This thesis argues that efficient decision-making in real-world, scientific domains requires task-targeted exploration—exploration strategies that are tuned to a specific task. By quantifying the change in task performance due to exploratory actions, we enable decision-makers that can contend with highly uncertain real-world environments, performing exploration parsimoniously to improve task performance. The thesis presents three novel paradigms for task-targeted exploration that are motivated by and applied to real-world scientific problems. We first consider exploration in partially observable Markov decision processes (POMDPs) and present two novel planners that leverage task-driven information measures to balance exploration and exploitation. These planners drive robots in simulation and oceanographic field trials to robustly identify plume sources and track targets with stochastic dynamics. We next consider the exploration- exploitation trade-off in online learning paradigms, a robust alternative to POMDPs when the environment is adversarial or difficult to model. We present novel online learning algorithms that balance exploitative and exploratory plays optimally under real-world constraints, including delayed feedback, partial predictability, and short regret horizons. We use these algorithms to perform model selection for subseasonal temperature and precipitation forecasting, achieving state-of-the-art forecasting accuracy. The human scientific endeavor is poised to benefit from our emerging capacity to integrate observational data into the process of model development and validation. Realizing the full potential of these data requires autonomous decision-makers that can contend with the inherent uncertainty of real-world scientific domains. This thesis highlights the critical role that task-targeted exploration plays in efficient scientific decision-making and proposes three novel methods to achieve task-targeted exploration in real-world oceanographic and climate science applications.

Description: This material is based upon work supported by the NSF Graduate Research Fellowship Program and a Microsoft Research PhD Fellowship, as well as the Department of Energy / National Nuclear Security Administration under Award Number DE-NA0003921, the Office of Naval Research under Award Number N00014-17-1-2072, and DARPA under Award Number HR001120C0033.

Description: Submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: Dispersion in estuaries sets the length of salinity intrusion and the horizontal mixing rate of waterborne constituents, including larvae, nutrients, sediments, and contaminants. While bulk calculations of dispersion are readily estimated using traditional field measurements, the mechanisms contributing to the total dispersion are difficult to identify because they require high temporal and spatial resolution to measure. Recent advances in field techniques and numerical modeling have enabled the isolated study of various mechanisms contributing to dispersion, many of which vary on tidal time-scales and over small spatial scales. The objective of this thesis is to use a combination of high-resolution field measurements and numerical modeling to determine the mechanisms of dispersion that maintain the salt balance in the North River (Marshfield, MA), a tidally-dominated salt marsh estuary with complex topography. First, a field campaign was conducted to determine the dispersion associated with the out-of-phase exchange between tributary creeks and the main channel. Then, numerical simulations of an idealized estuary were conducted and a novel quasi-Lagrangian approach was applied to analyze the sources of dispersive salt fluxes throughout the estuary. A second field campaign was conducted to evaluate the spatial variability of shear dispersion, particularly near regions of abrupt topographic variations. The key result from this thesis is obtained through the first application of the theoretical moving plane framework of Dronkers & van de Kreeke (1986), which confirms quantitatively that all landward salt flux at a fixed location must result from spatial correlations in velocity and salinity within a tidal excursion of the fixed location. Based on this result, the sources of the landward salt flux can be directly identified based on the spatial and tidal variations of shear dispersion, which can vary strongly due to its dependence on the local tidal currents, along-channel salinity gradient, and bathymetry. This thesis identifies and quantifies various mechanisms of topographically-induced tidal dispersion and thus highlights the dominant role of topography in controlling the processes that contribute to mixing and transport in short, tidally-energetic estuaries.

Description: The work presented in this thesis was funded largely by the National Science Foundation through a Graduate Student Research Fellowship (No. 1122374) in addition to NSF Grants OCE-1634490 and OCE-2123002. Additional funding was also provided from WHOI through the Michael J. Kowalski Fellowship for Ocean Science & Engineering and from MIT through an OGE Diversity Fellowship.

Description: Submitted in partial fulfillment of the requirements for the degree of Master of Science in Mechanical Engineering at the Massachusetts Institute of Technology and the Woods Hole Oceanographic Institution September 2022.

Description: This thesis presents a novel, hybrid Autonomous Underwater Glider (AUG) architecture developed for improved performance in shallow, high-current environments while maintaining all capabilities inherent to a deep, 1000m-rated AUG. Numerous regions of scientific interest, such as the marginal ice zone (MIZ) and continental shelf breaks present significant challenges to conventional AUG operations due to a combination of changing ocean currents and depths. AUGs are traditionally optimized for performance in shallow (less than 200m) or deep water (200m to 1000m) environments. The design of a buoyancy drive on a deep-rated AUG does not support the pump rate required for fast inflections in narrow depth bands. Contained within this thesis is the framework to expand the operational envelope of a Teledyne Webb Research (TWR) G3 Slocum glider through substantial modification of the glider’s hardware components backed by rigorous hydrodynamic analysis and computational fluid dynamics (CFD) modelling. Since AUGs are limited in both speed and maneuverability, the goal of this thesis is to improve and modify the glider’s flight characteristics, specifically the glider’s speed through water, its inflection rate, and its efficiency. These performance improvements are accomplished through the introduction of a high-power thruster, modified wings, and aft fin surfaces. The modified glider’s efficacy is evaluated through various laboratory experiments and field data obtained in Buzzards Bay and the Caribbean Sea. Design concepts for a future, more advanced glider are also discussed.

Description: Support for this research was provided through grants from the National Science Foundation (NSF) Navigating the New Arctic Grant (NNA #1839063) and the National Ocean Partnership Program (NOPP) Enhanced Propulsion Integrated Capability - Deep Autonomous Underwater Glider (EPIC-DAUG) grant (NA19OAR0110408).

Description: Dataset: Temperature Loggers

Description: Temperature loggers (HOBO) placed in two locations (HOBO1: 10.74373, 124.78668, HOBO2: 10.74364, 124.78665) off the coast of the West coast of Leyte, the Philippines , 2012-2019. For a complete list of measurements, refer to the full dataset description in the supplemental file 'Dataset_description.pdf'. The most current version of this dataset is available at: https://www.bco-dmo.org/dataset/862415

Description: NSF Division of Ocean Sciences (NSF OCE) OCE-1430218

Description: Dataset: RI Functional Trait Data

Description: This dataset represents an archive of the fish functional trait data in the Northeast Atlantic Ocean from fish sampled in the Rhode Island salt ponds from June to October 2018. For a complete list of measurements, refer to the full dataset description in the supplemental file 'Dataset_description.pdf'. The most current version of this dataset is available at: https://www.bco-dmo.org/dataset/870857

Description: NSF Division of Ocean Sciences (NSF OCE) OCE-1652320

Description: 2023-01-01

Description: Dataset: BASIN 2019 Sediment properties

Description: Sediments were collected in Fall 2019 across three transects in the Santa Barbara Basin using the ROV Jason during R/V Atlantis cruise AT42-19. This dataset consists of the sediment parameters porosity and density. For a complete list of measurements, refer to the full dataset description in the supplemental file 'Dataset_description.pdf'. The most current version of this dataset is available at: https://www.bco-dmo.org/dataset/867113

Description: NSF Division of Ocean Sciences (NSF OCE) OCE-1829981, NSF Division of Ocean Sciences (NSF OCE) OCE-1830033

Description: 2022-12-31

Description: Dataset: Acer Fecundity Gamete Bundles

Description: As a secondary assessment of fecundity, colonies of Acropora cerviconis (various genets) were taken to Mote Marine Laboratory in August 2020 for spawning and ex situ assisted sexual reproduction. From genets that spawned, forty random gamete bundles were collected during spawning and the total number of eggs and sperm per bundle were quantified. For a complete list of measurements, refer to the full dataset description in the supplemental file 'Dataset_description.pdf'. The most current version of this dataset is available at: https://www.bco-dmo.org/dataset/868493

Description: NSF Division of Ocean Sciences (NSF OCE) OCE-1452538

Description: 2022-12-31

Description: Dataset: BASIN 2019 Porewater geochemistry

Description: Sediments were collected in Fall 2019 across three transects in the Santa Barbara Basin using the ROV Jason during R/V Atlantis cruise AT42-19. Porewater was separated from the sediments and geochemical properties measured. For a complete list of measurements, refer to the full dataset description in the supplemental file 'Dataset_description.pdf'. The most current version of this dataset is available at: https://www.bco-dmo.org/dataset/867007

Description: NSF Division of Ocean Sciences (NSF OCE) OCE-1829981, NSF Division of Ocean Sciences (NSF OCE) OCE-1830033

Description: 2022-12-31

Description: Dataset: BASIN 2019 Microbial activity

Description: Sediments were collected in Fall 2019 across three transects in the Santa Barbara Basin using the ROV Jason during R/V Atlantis cruise AT42-19. Microbial activity in the sediments was determined by measuring sulfate reduction rates. For a complete list of measurements, refer to the full dataset description in the supplemental file 'Dataset_description.pdf'. The most current version of this dataset is available at: https://www.bco-dmo.org/dataset/867221

Description: NSF Division of Ocean Sciences (NSF OCE) OCE-1829981, NSF Division of Ocean Sciences (NSF OCE) OCE-1830033

Description: 2022-12-31

Description: Dataset: Acer Fecundity Polpys per Area

Description: Primary fecundity was assessed for Acropora cervicornis corals with known disease susceptibility. This dataset presents information on the number of polyps per area from linear branches of five colonies with 12 genets held in Mote Marine Lab’s spawning nurseries. For a complete list of measurements, refer to the full dataset description in the supplemental file 'Dataset_description.pdf'. The most current version of this dataset is available at: https://www.bco-dmo.org/dataset/868308

Description: NSF Division of Ocean Sciences (NSF OCE) OCE-1452538

Description: 2022-12-31

Description: Dataset: Acer Fecundity Oocyte Size

Description: Primary fecundity was assessed for Acropora cervicornis corals with known disease susceptibility. This dataset presents information on oocyte sizes from dissections of coral polyps from five adult colonies containing 12 genets held in Mote Marine Lab’s spawning nurseries. For a complete list of measurements, refer to the full dataset description in the supplemental file 'Dataset_description.pdf'. The most current version of this dataset is available at: https://www.bco-dmo.org/dataset/843067

Description: NSF Division of Ocean Sciences (NSF OCE) OCE-1452538

Description: 2022-12-31

Description: Dataset: Acropora hyacinthus ITS2 amplicon sequencing

Description: This dataset represents ITS2 amplicon sequences from Acropora hyacinthus samples collected at mutliple timepoints in Moorea, French Polynesia after the mass bleaching event of 2019. For a complete list of measurements, refer to the full dataset description in the supplemental file 'Dataset_description.pdf'. The most current version of this dataset is available at: https://www.bco-dmo.org/dataset/876564

Description: NSF Division of Ocean Sciences (NSF OCE) OCE-1935308, NSF Division of Ocean Sciences (NSF OCE) OCE-1935305

Description: 2022-12-31

Description: Dataset: Acer Fecundity Oocyte Number

Description: Primary fecundity was assessed for Acropora cervicornis corals with known disease susceptibility. This dataset presents oocyte numbers from dissections of coral polyps from five adult colonies from 12 genets held in Mote Marine Lab’s spawning nurseries. For a complete list of measurements, refer to the full dataset description in the supplemental file 'Dataset_description.pdf'. The most current version of this dataset is available at: https://www.bco-dmo.org/dataset/867314

Description: NSF Division of Ocean Sciences (NSF OCE) OCE-1452538

Description: 2022-12-31

Description: Dataset: ProteOMZ Exclusive Peptide Level Spectral Counts

Description: Relative protein abundance from scaled and corrected exclusive peptide spectral counts from 20-1250 m in the water column (0.2-3 µm filter size fraction) from the ProteOMZ R/V Falkor expedition. There are a total of 107,579 unique peptide sequences from 56,543 protein groups (88,251 proteins). Exclusive spectral counts are provided per sample as are the full dataset scaled and normalized spectral counts. The protein distributions in this dataset highlight the microbial dynamics across biomes in the central Pacific Ocean. These data were submitted in Saunders et al. (2022). For a complete list of measurements, refer to the full dataset description in the supplemental file 'Dataset_description.pdf'. The most current version of this dataset is available at: https://www.bco-dmo.org/dataset/868030

Description: Gordon and Betty Moore Foundation: Marine Microbiology Initiative (MMI) GBMF3782, Schmidt Ocean Institute (SOI) R/V Falkor 160115 SOI ProteOMZ Expedition

Description: Allometric relationships between body properties of animals are useful for a wide variety of purposes, such as estimation of biomass, growth, population structure, bioenergetic modelling and carbon flux studies. This study summarizes allometric relationships of zooplankton and nekton species that play major roles in polar marine food webs. Measurements were performed on 639 individuals of 15 species sampled during three expeditions in the Southern Ocean (winter and summer) and 2374 individuals of 14 species sampled during three expeditions in the Arctic Ocean (spring and summer). The information provided by this study fills current knowledge gaps on relationships between length and wet/dry mass of understudied animals, such as various gelatinous zooplankton, and of animals from understudied seasons and maturity stages, for example, for the krill Thysanoessa macrura and larval Euphausia superba caught in winter. Comparisons show that there is intra-specific variation in length–mass relationships of several species depending on season, e.g. for the amphipod Themisto libellula. To investigate the potential use of generalized regression models, comparisons between sexes, maturity stages or age classes were performed and are discussed, such as for the several krill species and T. libellula. Regression model comparisons on age classes of the fish E. antarctica were inconclusive about their general use. Other allometric measurements performed on carapaces, eyes, heads, telsons, tails and otoliths provided models that proved to be useful for estimating length or mass in, e.g. diet studies. In some cases, the suitability of these models may depend on species or developmental stages.

Description: N.N. Ambraseys left us a wealth of papers and volumes on a number of topics; many of them concern the historical earth- quake investigation. One of the last works is the 2009 volume (Ambraseys in Earthquakes in the Eastern Mediterranean and the Middle East: a multidisciplinary study of 2000 years of seismicity, Cambridge, Cambridge, UK, 2009), where he summarizes the results of more than thirty years of investigation through archives and libraries, covering earthquakes of a large area, from Albania to Caucasus. For each earthquake, a short summary of the main effects is supplied, together with the list of the sources used. Such information is intended as material for assessing location and size of the earthquakes, task that the author accomplished only in a very preliminary way for a few earthquakes, only. In addition to exhaustive descriptions of the most known earthquakes and the relevant historical sources, the volume contains information on a large number of earthquakes, so far unknown to the current earthquake catalogues. This paper intends to represent a homage to his immense work, partially showing the potential of his volume. We briefly present here some case histories, including the preliminary location and size of the earthquakes – known and unknown—around Anatolia. We add some examples of how he was able to prove that some alleged earthquakes are actually to be considered as fake or very doubtful. We also present the damage information supplied for some known and unknown earthquakes, and how they can be used for assessing location and size of them.

Description: Published

Description: 555–568

Description: 5T. Sismologia, geofisica e geologia per l'ingegneria sismica

Description: N/A or not JCR

Description: This study develops a new spatial correlation model for Italy using the most up-to-date and densest dataset of accelerometer and velocimeter records available. The objective is to estimate the average correlation length and assess its impact on the prediction accuracy of the Italian Shakemap compared to the global model (Loth and Baker, 2013–LB13) adopted in the default configuration of the program. We compute the spatial covariance structure using a geostatistical approach based on traditional variography applied to standardized residuals within the events of a reference ground motion model (ITA10). We observe spatial clusters of the correlation lengths and a wide variability over the Italian territory linked to the profound heterogeneity of the geological and geomorphological context. The obtained estimates are then implemented within the LB13 co-regionalization model in place of the default values while assuming the same cross-correlation coefficients among spectral parameters. Although our results are quite consistent with previous models calibrated for Italy, we find that the inclusion of the new correlation lengths in the Shakemap predictions, assessed through a leave-one-out cross-validation technique, results in a non-appreciable improvement over the global model, thus indicating that the adopted approach is not able to resolve the regional features and the corresponding spatial correlation with reference to individual scenarios. These findings may suggest the need to move towards nonergodic models in the Shakemap computing to better capture the spatial variability or to determine different co-regionalisation matrices more suitable for the regional applications.

Description: Published

Description: 1847–1873

Description: 5T. Sismologia, geofisica e geologia per l'ingegneria sismica

Description: JCR Journal

Description: Natural gas hazard was assessed at Cava dei Selci, a residential neighbourhood of Marino (Rome) by a joint study of gas emissions and related health problems. Here a densely urbanized zone with 4000 residents surrounds a dangerous natural gas discharge where, along the years, dozens of animals were killed by the gas. Gas originates from Colli Albani volcano and consists mostly of CO2 with ~1 vol.% of H2S. In recent years, several gas-related accidents occurred in the urbanized zone (gas blowouts and road collapses). Some houses were evacuated because of hazardous indoor air gas concentration. Gas hazard was assessed by soil CO2 flux and concentration surveys and indoor and outdoor air CO2 and H2S concentration measurements. Open fields and house gardens release a high quantity of CO2 (32.23 tonnes*day-1). Inside most houses, CO2 air concentration exceeds 0.1 vol.%, the acceptable long-term exposure range. In several houses both CO2 and H2S exceed the IDLH level (Immediately Dangerous to Life and Health). An epidemiological cohort study was carried out on the residents of two Cava dei Selci zones with high (ZoneA) and medium (ZoneB) gas hazard exposure, using the rest of Marino as reference zone. We found excess mortality and Emergency Room Visits (ERV) related to high exposure to CO2 and H2S; in particular , an increased risk of mortality and ERV for diseases of central nervous system (HR 1.57, 95% CI 0.76-3.25 and HR 5.82, 95% CI 1.27-26.56 respectively) was found among men living in Zone A.

Description: Published

Description: 707–729

Description: 6A. Geochimica per l'ambiente e geologia medica

Description: JCR Journal

Description: Despite global warming and Arctic sea-ice loss, on average the Antarctic sea-ice extent has not declined since 1979 when satellite data became available. In contrast, climate model simulations tend to exhibit strong negative sea-ice trends for the same period. This Antarctic sea-ice paradox leads to low confidence in 21st-century sea-ice projections. Here we present multi-resolution climate change projections that account for Southern Ocean mesoscale eddies. The high-resolution configuration simulates stable September Antarctic sea-ice extent that is not projected to decline until the mid-21st century. We argue that one reason for this finding is a more realistic ocean circulation that increases the equatorward heat transport response to global warming. As a result, the ocean becomes more efficient at moderating the anthropogenic warming around Antarctica and hence at delaying sea-ice decline. Our study suggests that explicitly simulating Southern Ocean eddies is necessary for providing Antarctic sea-ice projections with higher confidence.

Description: Due to the major role of greenhouse gas emissions in global climate change, the development of non-fossil energy technologies is essential. Deep geothermal energy represents such an alternative, which offers promising properties such as a high base load capability and a large untapped potential. The present work addresses barite precipitation within geothermal systems and the associated reduction in rock permeability, which is a major obstacle to maintaining high efficiency. In this context, hydro-geochemical models are essential to quantify and predict the effects of precipitation on the efficiency of a system. The objective of the present work is to quantify the induced injectivity loss using numerical and analytical reactive transport simulations. For the calculations, the fractured-porous reservoirs of the German geothermal regions North German Basin (NGB) and Upper Rhine Graben (URG) are considered. Similar depth-dependent precipitation potentials could be determined for both investigated regions (2.8-20.2 g/m3 fluid). However, the reservoir simulations indicate that the injectivity loss due to barite deposition in the NGB is significant (1.8%-6.4% per year) and the longevity of the system is affected as a result; this is especially true for deeper reservoirs (3000 m). In contrast, simulations of URG sites indicate a minor role of barite (〈 0.1%-1.2% injectivity loss per year). The key differences between the investigated regions are reservoir thicknesses and the presence of fractures in the rock, as well as the ionic strength of the fluids. The URG generally has fractured-porous reservoirs with much higher thicknesses, resulting in a greater distribution of precipitates in the subsurface. Furthermore, ionic strengths are higher in the NGB, which accelerates barite precipitation, causing it to occur more concentrated around the wellbore. The more concentrated the precipitates occur around the wellbore, the higher the injectivity loss. In this work, a workflow was developed within which numerical and analytical models can be used to estimate and quantify the risk of barite precipitation within the reservoir of geothermal systems. A key element is a newly developed analytical scaling score that provides a reliable estimate of induced injectivity loss. The key advantage of the presented approach compared to fully coupled reservoir simulations is its simplicity, which makes it more accessible to plant operators and decision makers. Thus, in particular, the scaling score can find wide application within geothermal energy, e.g., in the search for potential plant sites and the estimation of long-term efficiency.

Description: Aufgrund der tragenden Rolle der Treibhausgasemissionen für den globalen Klimawandel ist die Entwicklung von nicht-fossilen Energietechnologien essenziell. Die Tiefengeothermie stellt eine solche Alternative dar, welche vielversprechende Eigenschaften wie eine hohe Grundlastfähigkeit und ein großes ungenutztes Potenzial bietet. Die vorliegende Arbeit befasst sich mit Barytausfällungen inner- halb geothermaler Systeme und der damit einhergehenden Verringerung der Gesteinsdurchlässigkeit, welche ein Haupthindernis für die Aufrechterhaltung einer hohen Effizienz darstellen. Dabei sind hydro-geochemische Modelle unerlässlich, um die Auswirkungen von Ausfällungen auf die Effizienz eines Systems zu quantifizieren und vorherzusagen. Ziel der vorliegenden Arbeit ist es, mittels numerischer und analytischer reaktiver Transportsimulationen, den induzierten Injektivitätsverlust zu quantifizieren. Für die Berechnungen werden die klüftig-porösen Reservoire der deutschen Geothermieregionen Norddeutsches Becken (NDB) und Oberrheingraben (ORG) betrachtet. Für beide untersuchte Regionen konnte ein ähnliches, tiefenabhängiges Fällungspotenzial bestimmt werden (2,8–20,2 g/m3 Fluid). Die Reservoirsimulationen zeigen jedoch, dass der Injektivitätsverlust aufgrund von Barytablagerungen im NDB erheblich ist (1,8%–6,4% pro Jahr) und die Langlebigkeit der Anlage dadurch beeinträchtigt wird, dies gilt insbesondere für tiefere Reservoire (3000 m). Im Gegensatz dazu deuten die Simulationen der ORG-Standorte auf eine untergeordnete Rolle von Baryt hin (〈 0,1%–1,2% Injektivitätsverlust pro Jahr). Die entscheidenden Unterschiede zwischen den untersuchten Regionen sind die Reservoirmächtigkeiten und das Vorhandensein von Rissen im Gestein sowie die Ionenstärke der Fluide. Der ORG weist in der Regel klüftig-poröse Reservoire mit deutlich höheren Mächtigkeiten auf, was zu einer größeren Verteilung der Präzipitate im Untergrund führt. Weiterhin sind die Ionenstärken im NDB höher, was die Barytausfällung beschleunigt und diese dadurch konzentrierter um das Bohrloch herum entstehen lässt. Je konzentrierter die Präzipitate um die Bohrung herum auftreten, desto höher ist der Injektivitätsverlust. In dieser Arbeit wurde ein Workflow erarbeitet, innerhalb dessen mittels numerischer und analytischer Modelle das Risiko von Barytausfällungen innerhalb des Reservoirs geothermischer Systeme abgeschätzt und quantifiziert werden kann. Ein zentrales Element ist ein neu entwickelter, analytischer Scaling-Score, der eine zuverlässige Schätzung des induzierten Injektivitätsverlustes ermöglicht. Der entscheidende Vorteil des präsentierten Ansatzes im Vergleich zu voll-gekoppelten Reservoirsimulationen liegt in ihrer Einfachheit, die sie für Anlagenbetreiber und Entscheidungsträger zugänglicher macht. Somit kann insbesondere der Scaling-Score eine breite Anwendung innerhalb der Geothermie finden, z.B. bei der Suche nach potenziellen Anlagenstandorten und der Abschätzung der langfristigen Effizienz.

Description: Salt deposits offer a variety of usage types. These include the mining of rock salt and potash salt as important raw materials, the storage of energy in man-made underground caverns, and the disposal of hazardous substances in former mines. The most serious risk with any of these usage types comes from the contact with groundwater or surface water. It causes an uncontrolled dissolution of salt rock, which in the worst case can result in the flooding or collapse of underground facilities. Especially along potash seams, cavernous structures can spread quickly, because potash salts show a much higher solubility than rock salt. However, as their chemical behavior is quite complex, previous models do not account for these highly soluble interlayers. Therefore, the objective of the present thesis is to describe the evolution of cavernous structures along potash seams in space and time in order to improve hazard mitigation during the utilization of salt deposits. The formation of cavernous structures represents an interplay of chemical and hydraulic processes. Hence, the first step is to systematically investigate the dissolution and precipitation reactions that occur when water and potash salt come into contact. For this purpose, a geochemical reaction model is used. The results show that the minerals are only partially dissolved, resulting in a porous sponge like structure. With the saturation of the solution increasing, various secondary minerals are formed, whose number and type depend on the original rock composition. Field data confirm a correlation between the degree of saturation and the distance from the center of the cavern, where solution is entering. Subsequently, the reaction model is coupled with a flow and transport code and supplemented by a novel approach called ‘interchange’. The latter enables the exchange of solution and rock between areas of different porosity and mineralogy, and thus ultimately the growth of the cavernous structure. By means of several scenario analyses, cavern shape, growth rate and mineralogy are systematically investigated, taking also heterogeneous potash seams into account. The results show that basically four different cases can be distinguished, with mixed forms being a frequent occurrence in nature. The classification scheme is based on the dimensionless numbers Péclet and Damköhler, and allows for a first assessment of the hazard potential. In future, the model can be applied to any field case, using measurement data for calibration. The presented research work provides a reactive transport model that is able to spatially and temporally characterize the propagation of cavernous structures along potash seams for the first time. Furthermore, it allows to determine thickness and composition of transition zones between cavern center and unaffected salt rock. The latter is particularly important in potash mining, so that natural cavernous structures can be located at an early stage and the risk of mine flooding can thus be reduced. The models may also contribute to an improved hazard prevention in the construction of storage caverns and the disposal of hazardous waste in salt deposits. Predictions regarding the characteristics and evolution of cavernous structures enable a better assessment of potential hazards, such as integrity or stability loss, as well as of suitable mitigation measures.

Description: Salzlagerstätten bieten eine Vielzahl an Nutzungsmöglichkeiten. Diese umfassen den Abbau von Steinsalz und Kalisalz als wichtige Rohstoffe, die Speicherung von Energie in künstlich erzeugten Hohlräumen, sowie die Entsorgung gefährlicher Substanzen in stillgelegten Bergwerken. Die größte Gefahr bei jeder dieser Nutzungsarten ist der Kontakt mit Grund- oder Oberflächenwasser. Er bewirkt eine unkontrollierte Lösung des Salzgesteins, was im schlimmsten Fall zur Flutung oder zum Einsturz unterirdischer Infrastrukturen führt. Insbesondere entlang von Kaliflözen können sich kavernöse Strukturen schnell ausbreiten, da Kalisalze eine wesentlich höhere Löslichkeit besitzen als Steinsalz. Ihr chemisches Verhalten ist jedoch komplex, weshalb bisherige Modelle diese hochlöslichen Zwischenschichten vernachlässigen. Ziel der vorliegenden Doktorarbeit ist es daher, die Ausbreitung kavernöser Strukturen entlang von Kaliflözen räumlich und zeitlich zu beschreiben und damit die Möglichkeiten zur Gefahrenprävention bei der Nutzung von Salzlagerstätten zu verbessern. Die Bildung kavernöser Strukturen ist ein Zusammenspiel chemischer und hydraulischer Prozesse. Zunächst wird daher mithilfe eines geochemischen Reaktionsmodells systematisch untersucht, welche Lösungs- und Fällungsreaktionen beim Kontakt von Wasser und Kalisalz auftreten. Die Ergebnisse zeigen, dass nur ein Teil der Minerale gelöst wird, wodurch sich eine poröse, schwammartige Struktur bildet. Mit zunehmender Aufsättigung der Lösung treten verschiedene Sekundärminerale auf, deren Anzahl und Art vom Ausgangsgestein abhängen. Felddaten belegen dabei eine Korrelation zwischen Sättigungsgrad und Abstand vom Kavernenzentrum, wo die Lösung ein- und austritt. Anschließend wird das Reaktionsmodell mit einem Strömungs- und Transportcode gekoppelt und um einen neuartigen Ansatz namens "interchange" ergänzt. Dieser ermöglicht den Austausch von Lösung und Gestein zwischen Bereichen unterschiedlicher Porosität und Mineralogie, und damit letztlich das Wachstum der kavernösen Struktur. In mehreren Szenarienanalysen werden Kavernenform, Ausbreitungsgeschwindigkeit und Mineralogie systematisch untersucht und dabei auch heterogene Kaliflöze betrachtet. Die Ergebnisse zeigen, dass grundsätzlich vier Fälle zu unterscheiden sind, wobei in der Natur häufig Mischformen auftreten. Die Klassifizierung erfolgt auf Basis der dimensionslosen Kennzahlen Péclet und Damköhler und ermöglicht eine erste Abschätzung des Gefahrenpotentials. In Zukunft kann das Modell auf beliebige Feldbeispiele angewandt und mithilfe von Messdaten kalibriert werden. Die vorliegende Arbeit liefert ein reaktives Transportmodell, mit dem die Ausbreitung kavernöser Strukturen entlang von Kaliflözen erstmals räumlich und zeitlich beschrieben werden kann. Auch Mächtigkeit und Zusammensetzung der Übergangszone zwischen Kavernenzentrum und unberührtem Salzgestein können damit bestimmt werden. Letzteres ist insbesondere im Kalibergbau von Bedeutung, um natürliche kavernöse Strukturen rechtzeitig zu lokalisieren und damit das Risiko für eine Flutung von Bergwerken zu verringern. Auch bei der Herstellung von Speicherkavernen und der Einlagerung gefährlicher Substanzen im Salzgestein können die Modelle zu einer besseren Gefahrenprävention beitragen. Sie ermöglichen Prognosen über Beschaffenheit und Ausbreitungsverhalten kavernöser Strukturen, wodurch sowohl potentielle Gefahren, wie der Verlust von Dichtigkeit oder Stabilität, als auch geeignete Gegenmaßnahmen besser abschätzbar werden.

Description: The geomagnetic main field is vital for live on Earth, as it shields our habitat against the solar wind and cosmic rays. It is generated by the geodynamo in the Earth’s outer core and has a rich dynamic on various timescales. Global models of the field are used to study the interaction of the field and incoming charged particles, but also to infer core dynamics and to feed numerical simulations of the geodynamo. Modern satellite missions, such as the SWARM or the CHAMP mission, support high resolution reconstructions of the global field. From the 19th century on, a global network of magnetic bservatories has been established. It is growing ever since and global models can be constructed from the data it provides. Geomagnetic field models that extend further back in time rely on indirect observations of the field, i.e. thermoremanent records such as burnt clay or volcanic rocks and sediment records from lakes and seas. These indirect records come with (partially very large) uncertainties, introduced by the complex measurement methods and the dating procedure. Focusing on thermoremanent records only, the aim of this thesis is the development of a new modeling strategy for the global geomagnetic field during the Holocene, which takes the uncertainties into account and produces realistic estimates of the reliability of the model. This aim is approached by first considering snapshot models, in order to address the irregular spatial distribution of the records and the non-linear relation of the indirect observations to the field itself. In a Bayesian setting, a modeling algorithm based on Gaussian process egression is developed and applied to binned data. The modeling algorithm is then extended to the temporal domain and expanded to incorporate dating uncertainties. Finally, the algorithm is sequentialized to deal with numerical challenges arising from the size of the Holocene dataset. The central result of this thesis, including all of the aspects mentioned, is a new global geomagnetic field model. It covers the whole Holocene, back until 12000 BCE, and we call it ArchKalmag14k. When considering the uncertainties that are produced together with the model, it is evident that before 6000 BCE the thermoremanent database is not sufficient to support global models. For times more recent, ArchKalmag14k can be used to analyze features of the field under consideration of osterior uncertainties. The algorithm for generating ArchKalmag14k can be applied to different datasets and is provided to the community ss an open source python package.

Description: Das geomagnetische Hauptfeld ist essenziell für das Leben auf der Erde, da es unseren Lebensraum gegen den Sonnenwind und kosmische Strahlung abschirmt. Es wird vom Geodynamo im Erdkern erzeugt und zeigt eine komplexe Dynamik auf unterschiedlichen Zeitskalen. Globale Modelle des Magnetfelds werden zur Studie der Wechselwirkung von einströmenden geladenen Teilchen genutzt, aber auch um Kerndynamiken zu untersuchen und um sie in numerische Simulationen des Geodynamos einzuspeisen. Moderne Satellitenmissionen, wie SWARM und CHAMP, stützen hochauflösende Rekonstruktionen des globalen Felds. Seit dem 19. Jahrhundert wird ein globales Netzwerk von magnetischen Observatorien aufgebaut. Es wächst stetig und globale Modelle können aus den Daten, die es liefert, konstruiert werden. Geomagnetische Feldmodelle, die weiter in der Zeit zurückreichen, basieren auf indirekten Beobachtungen des Felds, d.h. auf thermoremanenten Daten, wie gebrannten Tonen oder vulkanischen Gesteinen, und auf Sedimentdaten aus Seen und Meeren. Diese indirekten Beobachtungen werden mit (teilweise sehr hohen) Unsicherheiten geliefert, die aus den komplexen Datierungs- und Messmethoden resultieren. Ziel dieser Arbeit ist die Entwicklung einer neuen Modellierungsmethode für das globale geomagnetische Feld während des Holozäns, welche die Unsicherheiten berücksichtigt und realistische Schätzungen für die Verlässlichkeit des Modells liefert. Dabei werden lediglich thermoremanente Daten betrachtet. Diesem Ziel wird sich zunächst genähert, indem ein Schnappschuss-Modell konstruiert wird, um die unregelmäßige räumliche Verteilung der Daten und die nichtlineare Beziehung zwischen Daten und Magnetfeld zu untersuchen. In einem Bayesianischen Rahmen wird ein auf Gaussprozessen basierender Algorithmus entwickelt und zunächst auf diskretisierte Daten angewendet. Dieser Algorithmus wird dann um eine zeitabhängige Komponente ergänzt und erweitert, um Datierungsfehler zu berücksichtigen. Zuletzt wird der Algorithmus sequenzialisiert, um mit numerischen Herausforderungen umzugehen, die aufgrund der Größe des Holozän-Datensatzes bestehen. Das zentrale Ergebnis dieser Arbeit, welches alle genannten Aspekte beinhaltet, ist ein neues globales geomagnetisches Feldmodell. Es deckt das gesamte Holozän ab, bis ins Jahr 12000 BCE, und wir nennen es ArchKalmag14k. Bei Betrachtung der Unsicherheiten, die gemeinsam mit dem Modell ermittelt werden, wird deutlich, dass die thermoremanente Datenbasis nicht ausreicht, um globale Modelle vor dem Jahr 6000 BCE zu stützen. Für jüngere Zeiträume kann ArchKalmag14k genutzt werden, um Merkmale des Erdmagnetfelds unter Berücksichtigung der a posteriori Unsicherheiten zu analysieren. Der Algorithmus, mit dem ArchKalmag14k erzeugt wurde, kann auf weitere Datensätze angewendet werden und wird als quelloffenes python-Paket zur Verfügung gestellt.

Description: Climate change and human-driven eutrophication promote the spread of harmful cyanobacteria blooms in lakes worldwide, which affects water quality and impairs the aquatic food chain. In recent times, sedimentary ancient DNA-based (sedaDNA) studies were used to probe how centuries of climate and environmental changes have affected cyanobacterial assemblages in temperate lakes. However, there is a lack of information on the consistency between sediment-deposited cyanobacteria communities versus those of the water column, and on the individual role of natural climatic changes versus human pressure on cyanobacteria community dynamics over multi-millennia time scales. Therefore, this thesis uses sedimentary ancient DNA of Lake Tiefer See in northeastern Germany to trace the deposition of cyanobacteria along the water column into the sediment, and to reconstruct cyanobacteria communities spanning the last 11,000 years using a set of molecular techniques including quantitative PCR, biomarkers, metabarcoding, and metagenome sequence analyses. The results of this thesis proved that cyanobacterial composition and species richness did not significantly differ among different water depths, sediment traps, and surface sediments. This means that the cyanobacterial community composition from the sediments reflects the water column communities. However, there is a skewed sediment deposition of different cyanobacteria groups because of DNA alteration and/or deterioration during transport along the water column to the sediment. Specifically, single filament taxa, such as Planktothrix, are poorly represented in sediments despite being abundant in the water column as shown by an additional study of the thesis on cyanobacteria seasonality. In contrast, aggregate-forming taxa, like Aphanizomenon, are relatively overrepresented in sediment although they are not abundant in the water column. These different deposition patterns of cyanobacteria taxa should be considered in future DNA-based paleolimnological investigations. The thesis also reveals a substantial increase in total cyanobacteria abundance during the Bronze Age which is not apparent in prior phases of the early to middle Holocene and is suggested to be caused by human farming, deforestation, and excessive nutrient addition to the lake. Not only cyanobacterial abundance was influenced by human activity but also cyanobacteria community composition differed significantly between phases of no, moderate, and intense human impact. The data presented in this thesis are the first on sedimentary cyanobacteria DNA since the early Holocene in a temperate lake. The results bring together archaeological, historical climatic, and limnological data with deep DNA-sequencing and paleoecology to reveal a legacy impact of human pressure on lake cyanobacteria populations dating back to approximately 4000 years.

Description: Der Klimawandel und die vom Menschen verursachte Eutrophierung fördern die Ausbreitung schädlicher Cyanobakterienblüten in Seen weltweit, was die Wasserqualität und die aquatische Nahrungskette beeinträchtigt. In jüngster Zeit wurden sedimentäre DNA (sedaDNA)-Studien verwendet, um zu untersuchen, wie sich klimatische- und menschliche Umweltveränderungen von Jahrhunderten auf Cyanobakteriengemeinschaften in Seen ausgewirkt haben. Jedoch fehlen bislang Informationen, wie repräsentativ die im Sediment abgelagerten Cyanobakterien und deren DNA für die Gemeinschaften der Wassersäule sind, sowie zur individuellen Rolle natürlicher klimatischer Veränderungen gegenüber dem menschlichen Einflusses auf die Dynamik von Cyanobakterien über Zeitskalen von Jahrtausenden. Daher wurde in dieser Arbeit sedimentäre alte DNA (sedaDNA) des Tiefen Sees in Nordostdeutschland verwendet, um die Ablagerung von Cyanobakterien entlang der Wassersäule in das Sediment zu verfolgen. Ein Hauptteil dieser Arbeit bildete jedoch die Rekonstruktion von Cyanobakteriengemeinschaften der letzten 11.000 Jahre, unter Verwendung einer Reihe von molekularen Techniken, darunter quantitative PCR, Biomarker, Metabarcoding und Metagenom-Sequenzanalysen. Die Ergebnisse dieser Arbeit beweisen, dass die Cyanobakterien-Zusammensetzung und der Artenreichtum zwischen verschiedenen Wassertiefen, Sedimentfallen und Oberflächensedimenten nicht signifikant unterschiedlich ist. Das bedeutet, dass die Zusammensetzung der Cyanobakteriengemeinschaften aus den Sedimenten die Gemeinschaften der Wassersäule widerspiegelt. Aufgrund von DNA-Veränderungen und/oder -Abbau während des Transports entlang der Wassersäule zum Sediment kommt es jedoch zu einer verzerrten Sedimentablagerung verschiedener Cyanobakterien Arten. Insbesondere sind filamentose Arten wie Planktothrix in Sedimenten schlecht vertreten, obwohl sie, laut Ergebnissen einer zusätzlichen Studie dieser Arbeit zur Saisonalität von Cyanobakterien, in der Wassersäule reichlich vorhanden sind. Im Gegensatz dazu sind aggregatbildende Arten wie Aphanizomenon in Sedimenten relativ gesehen überrepräsentiert, obwohl sie in der Wassersäule relativ selten vorkommen. Diese unterschiedlichen Muster zur Sedimentablagerung verschiedener Cyanobakterien Arten sollten in zukünftigen DNA-basierten paläolimnologischen Untersuchungen berücksichtigt werden. Die Dissertation zeigt auch eine deutliche Zunahme der Cyanobakterien Abundanz während der Bronzezeit, die in vorhergehenden Phasen des frühen und mittleren Holozäns nicht erkennbar war. Dies ist wahrscheinlich durch menschliche Landwirtschaft, Entwaldung und übermäßige Nährstoffzufuhr in den See verursacht worden. Nicht nur die Abundanz von Cyanobakterien wurde durch menschliche Aktivitäten beeinflusst, sondern auch die Zusammensetzung von deren Gemeinschaften, die sich signifikant zwischen Phasen unterscheidet, die durch keinen, moderaten, und intensiven menschlichen Einfluss gekennzeichnet sind. Die in dieser Dissertation präsentierten Daten sind die ersten zu sedimentärer Cyanobakterien-DNA seit dem frühen Holozän eines Sees der gemäßigte Klimazone. Die Ergebnisse vereinen archäologische, historische, klimatische und limnologische Daten mit hochaufgelöster und Hochdurchsatz-DNA-Sequenzierung und belegen, dass der menschliche Einfluss auf Cyanobakteriengemeinschaften in Seen etwa 4000 Jahre zurückreicht.

Description: Gas hydrates are ice-like crystalline compounds made of water cavities that retain various types of guest molecules. Natural gas hydrates are CH4-rich but also contain higher hydrocarbons as well as CO2, H2S, etc. They are highly dependent of local pressure and temperature conditions. Considering the high energy content, natural gas hydrates are artificially dissociated for the production of methane gas. Besides, they may also dissociate in response to global warming. It is therefore crucial to investigate the hydrate nucleation and growth process at a molecular level. The understanding of how guest molecules in the hydrate cavities respond to warming climate or gas injection is also of great importance. This thesis is concerned with a systematic investigation of simple and mixed gas hydrates at conditions relevant to the natural hydrate reservoir in Qilian Mountain permafrost, China. A high-pressure cell that integrated into the confocal Raman spectroscopy ensured a precise and continuous characterization of the hydrate phase during formation/dissociation/transformation processes with a high special and spectral resolution. By applying laboratory experiments, the formation of mixed gas hydrates containing other hydrocarbons besides methane was simulated in consideration of the effects from gas supply conditions and sediments. The results revealed a preferential enclathration of different guest molecules in hydrate cavities and further refute the common hypothesis of the coexistence of hydrate phases due to a changing feed gas phase. However, the presence of specific minerals and organic compounds in sediments may have significant impacts on the coexisting solid phases. With regard to the dissociation, the formation damage caused by fines mobilization and migration during hydrate decomposition was reported for the first time, illustrating the complex interactions between fine grains and hydrate particles. Gas hydrates, starting from simple CH4 hydrates to binary CH4—C3H8 hydrates and multi-component mixed hydrates were decomposed by thermal stimulation mimicking global warming. The mechanisms of guest substitution in hydrate structures were studied through the experimental data obtained from CH4—CO2, CH4—mixed gas hydrates and mixed gas hydrates—CO2 systems. For the first time, a second transformation behavior was documented during the transformation process from CH4 hydrates to CO2-rich mixed hydrates. Most of the crystals grew or maintained when exposed to CO2 gas while some others decreased in sizes and even disappeared over time. The highlight of the two last experimental simulations was to visualize and characterize the hydrate crystals which were at different structural transition stages. These experimental simulations enhanced our knowledge about the mixed gas hydrates in natural reservoirs and improved our capability to assess the response to global warming.

Description: Gashydrate sind eisähnliche, kristalline Verbindungen bestehend aus Wasserkäfigen, in denen verschiedene Arten von Gastmolekülen eingeschlossen sind. Natürliche Gashydrate sind CH4-reich, enthalten aber auch höhere Kohlenwasserstoffe sowie CO2, H2S usw. Sie sind stark von den lokalen Druck- und Temperaturbedingungen abhängig. Aufgrund ihres hohen Energiegehalts werden natürliche Gashydrate zur Produktion von Methangas kontrolliert zersetzt. Sie können sich aber auch als Reaktion auf die globale Erwärmung zersetzen. Daher ist es von entscheidender Bedeutung, den Hydratnukleation und des Wachstumsprozesses auf molekularer Ebene zu verstehen. Es ist auch von großer Bedeutung zu klären, wie die Gastmoleküle in den Hydratkäftigen auf die Erderwärmung oder die Gasinjektion antworten. Diese Arbeit beschäftigt sich mit einer systematischen Untersuchung von einfachen und gemischten Gashydraten unter Bedingungen, die für die natürlichen Hydratvorkommen im Qilian Mountain Permafrost, China, relevant sind. Eine in die konfokale Raman-Spektroskopie integrierte Hochdruckzelle gewährleistet eine präzise und kontinuierliche Charakterisierung der Hydratphase während des Bildungs-/Dissoziations-/Umwandlungsprozesses mit hoher örtlicher und spektraler Auflösung. Anhand von Laborversuchen wurde der Entstehungsprozess von gemischten Gashydraten unter Berücksichtigung der Auswirkungen unterschiedliches Gaszufuhr und Sedimenten simuliert. Die Ergebnisse zeigten eine bevorzugte Einlagerung verschiedener Gastmoleküle in die Hydratkäfige und widerlegen die gängige Hypothese der Bildung koexistierender Hydratphasen aufgrund einer sich ändernden Gasphase. Das Vorhandensein bestimmter Mineralien und organischer Verbindungen in Sedimenten kann ebenfalls erhebliche Auswirkungen auf die koexistierenden festen Phasen haben. Bezüglich der Hydratzersetzung konnte im Rahmen dieser Arbeit erstmals über die Formationsschädigung durch Feinkornmobilisierung und -migration beim Hydratabbau berichtet werden, was die komplexen Wechselwirkungen zwischen feinen Sedimentkörnern und Hydratpartikeln verdeutlicht. Gashydrate, angefangen von einfachen CH4-Hydraten über binäre CH4-C3H8-Hydrate bis hin zu Mehrkomponenten-Mischhydraten, wurden durch thermische Stimulation zersetzt, um die Reaktion auf die globale Erwärmung nachzuahmen. Die Mechanismen der Substitution der Gasmoleküle in Hydratstrukturen wurden anhand der experimentellen Daten von CH4-CO2-, CH4-Mischgashydraten und Mischgashydraten-CO2-Systemen untersucht. Erstmals wurde ein zweites Umwandlungsverhalten während des Umwandlungsprozesses von CH4-Hydraten zu CO2-reichen Mischhydraten dokumentiert. In den meisten Fällen wird das Modell des Schrumpfenden Kerns (Shrinking-core-model) unterstützt, während in einigen anderen Fällen die Kristalle mit konstanter Geschwindigkeit umwandelten. Der Höhepunkt der beiden letzten experimentellen Simulationen war die Visualisierung und Charakterisierung von Hydratkristallen, die sich in verschiedenen strukturellen Übergangsstadien befanden. Diese experimentellen Simulationen erweiterten unser Wissen über gemischte Gashydrate in natürlichen Lagerstätten und verbesserten unsere Fähigkeit, die Reaktion auf die globale Erwärmung zu bewerten.

Description: Seismology, like many scientific fields, e.g., music information retrieval and speech signal pro- cessing, is experiencing exponential growth in the amount of data acquired by modern seismo- logical networks. In this thesis, I take advantage of the opportunities offered by "big data" and by the methods developed in the areas of music information retrieval and machine learning to predict better the ground motion generated by earthquakes and to study the properties of the surface layers of the Earth. In order to better predict seismic ground motions, I propose two approaches based on unsupervised deep learning methods, an autoencoder network and Generative Adversarial Networks. The autoencoder technique explores a massive amount of ground motion data, evaluates the required parameters, and generates synthetic ground motion data in the Fourier amplitude spectra (FAS) domain. This method is tested on two synthetic datasets and one real dataset. The application on the real dataset shows that the substantial information contained within the FAS data can be encoded to a four to the five-dimensional manifold. Consequently, only a few independent parameters are required for efficient ground motion prediction. I also propose a method based on Conditional Generative Adversarial Networks (CGAN) for simulating ground motion records in the time-frequency and time domains. CGAN generates the time-frequency domains based on the parameters: magnitude, distance, and shear wave velocities to 30 m depth (VS30). After generating the amplitude of the time-frequency domains using the CGAN model, instead of classical conventional methods that assume the amplitude spectra with a random phase spectrum, the phase of the time-frequency domains is recovered by minimizing the observed and reconstructed spectrograms. In the second part of this dissertation, I propose two methods for the monitoring and characterization of near-surface materials and site effect analyses. I implement an autocorrelation function and an interferometry method to monitor the velocity changes of near-surface materials resulting from the Kumamoto earthquake sequence (Japan, 2016). The observed seismic velocity changes during the strong shaking are due to the non-linear response of the near-surface materials. The results show that the velocity changes lasted for about two months after the Kumamoto mainshock. Furthermore, I used the velocity changes to evaluate the in-situ strain-stress relationship. I also propose a method for assessing the site proxy "VS30" using non-invasive analysis. In the proposed method, a dispersion curve of surface waves is inverted to estimate the shear wave velocity of the subsurface. This method is based on the Dix-like linear operators, which relate the shear wave velocity to the phase velocity. The proposed method is fast, efficient, and stable. All of the methods presented in this work can be used for processing "big data" in seismology and for the analysis of weak and strong ground motion data, to predict ground shaking, and to analyze site responses by considering potential time dependencies and nonlinearities.

Description: In my doctoral thesis, I examine continuous gravity measurements for monitoring of the geothermal site at Þeistareykir in North Iceland. With the help of high-precision superconducting gravity meters (iGravs), I investigate underground mass changes that are caused by operation of the geothermal power plant (i.e. by extraction of hot water and reinjection of cold water). The overall goal of this research project is to make a statement about the sustainable use of the geothermal reservoir, from which also the Icelandic energy supplier and power plant operator Landsvirkjun should benefit. As a first step, for investigating the performance and measurement stability of the gravity meters, in summer 2017, I performed comparative measurements at the gravimetric observatory J9 in Strasbourg. From the three-month gravity time series, I examined calibration, noise and drift behaviour of the iGravs in comparison to stable long-term time series of the observatory superconducting gravity meters. After preparatory work in Iceland (setup of gravity stations, additional measuring equipment and infrastructure, discussions with Landsvirkjun and meetings with the Icelandic partner institute ISOR), gravity monitoring at Þeistareykir was started in December 2017. With the help of the iGrav records of the initial 18 months after start of measurements, I carried out the same investigations (on calibration, noise and drift behaviour) as in J9 to understand how the transport of the superconducting gravity meters to Iceland may influence instrumental parameters. In the further course of this work, I focus on modelling and reduction of local gravity contributions at Þeistareykir. These comprise additional mass changes due to rain, snowfall and vertical surface displacements that superimpose onto the geothermal signal of the gravity measurements. For this purpose, I used data sets from additional monitoring sensors that are installed at each gravity station and adapted scripts for hydro-gravitational modelling. The third part of my thesis targets geothermal signals in the gravity measurements. Together with my PhD colleague Nolwenn Portier from France, I carried out additional gravity measurements with a Scintrex CG5 gravity meter at 26 measuring points within the geothermal field in the summers of 2017, 2018 and 2019. These annual time-lapse gravity measurements are intended to increase the spatial coverage of gravity data from the three continuous monitoring stations to the entire geothermal field. The combination of CG5 and iGrav observations, as well as annual reference measurements with an FG5 absolute gravity meter represent the hybrid gravimetric monitoring method for Þeistareykir. Comparison of the gravimetric data to local borehole measurements (of groundwater levels, geothermal extraction and injection rates) is used to relate the observed gravity changes to the actually extracted (and reinjected) geothermal fluids. An approach to explain the observed gravity signals by means of forward modelling of the geothermal production rate is presented at the end of the third (hybrid gravimetric) study. Further modelling with the help of the processed gravity data is planned by Landsvirkjun. In addition, the experience from time-lapse and continuous gravity monitoring will be used for future gravity measurements at the Krafla geothermal field 22 km south-east of Þeistareykir.

Description: In meiner Doktorarbeit beschäftige ich mich mit kontinuierlichen Schweremessungen zum Monitoring des geothermisch genutzten Standorts Þeistareykir in Nordisland. Unter Verwendung von hochpräzisen Supraleitgravimetern (iGravs) untersuche ich unterirdische Massenveränderungen, die durch den Betrieb des isländischen Erdwärmekraftwerks (d.h. durch die Entnahme von Heißwasser und Rückinjektion von Kaltwasser) hervorgerufen werden. Als übergeordnetes Ziel des Forschungsprojektes soll eine Aussage zur nachhaltigen Nutzung des geothermischen Reservoirs gemacht werden, von der auch der isländische Energieversorger und Kraftwerksbetreiber Landsvirkjun profitieren soll. Als ersten Schritt, zur Untersuchung der Leistungsfähigkeit und Messstabilität der Gravimeter, begleitete ich im Sommer 2017 Vergleichsmessungen in dem gravimetrischen Observatorium J9 in Straßburg. Aus den dreimonatigen Messzeitreihen untersuchte ich Kalibration, Rausch- und Driftverhalten der iGravs im Vergleich zu den betriebssicher laufenden Observatoriums-Supraleitgravimetern. Nach vorbereitender Arbeit in Island (Aufbau der Gravimeter-Stationen und zusätzlicher Messeinrichtung, Einrichtung der Infrastruktur, Gespräche mit Landsvirkjun und Treffen mit isländischen Partnerinstitut ISOR) startete ich mit meinen Kollegen im Dezember 2017 das Gravimeter-Monitoring in Þeistareykir. Anhand der iGrav-Aufzeichnungen der ersten 18 Monaten nach Messbeginn führte ich die gleichen Untersuchungen (zu Kalibration, Rausch- und Driftverhalten) wie in J9 durch, um zu verstehen inwieweit der Transport der Supraleitgravimeter nach Island die Geräteeigenschaften beeinflusst hat. Im weiteren Verlauf der vorliegenden Arbeit beschäftige ich mich verstärkt mit der Modellierung und Korrektur von oberflächennahen Schwereeffekten in Þeistareykir. Dies umfasst zusätzliche Massenbewegungen durch Regen, Schneefall oder vulkanisch-tektonische Bodenbewegungen, die das geothermische Signal in den Gravimeter-Messungen überlagern. Als Hilfsmittel verwende ich die Datensätze der zusätzlich an jeder Gravimeter-Station eingerichteten Messsensorik und von mir angepasste Modellierungsskripte meiner Gravimetrie-Kollegen. Als dritten Punkt meiner Dissertation untersuche ich die geothermischen Signale in den Gravimeter-Messungen. Gemeinsam mit meiner PhD-Kollegin Nolwenn Portier aus Frankreich führte ich in den Sommern 2017, 2018 und 2019 zusätzliche Schweremessungen mit einem Scintrex CG5 Gravimeter an 26 im Geothermie-Feld verteilten Messpunkten durch. Diese jährlich begrenzten Schweredaten dienen der Verbesserung der räumlichen Auflösung unserer kontinuierlichen iGrav-Messungen. Die kombinierten Ergebnisse beider Messmethoden (der CG5 und iGrav Gravimeter), sowie jährlich im Messgebiet durchgeführter Referenz-Messungen mit einem FG5 Absolut-Gravimeter, komplettieren das hybridgravimetrische Monitoring am Messstandort Þeistareykir. Die abschließende Gegenüberstellung der gravimetrischen Daten mit lokalen Bohrlochmessungen (von Grundwasserpegeln, geothermischen Extraktions- und Injektions-Raten) des Kraftwerksbetreibers, ermöglicht einen direkten Vergleich der beobachteten Schwereveränderungen mit den tatsächlich geförderten geothermischen Fluiden. Ein Ansatz zur Erklärung des beobachteten Schweresignals mittels Vorwärtsmodellierung der geförderten geothermischen Förderrate wird im Abschluss der dritten (hybridgravimetrischen) Studie vorgestellt. Weitere Modellierungen unter Verwendung der aufbereiteten gravimetrischen Messdaten sind durch den Kraftwerksbetreibers von Þeistareykir geplant. Außerdem sollen die gesammelten Erfahrungen des gravimetrischen Messnetzes und Monitorings in Þeistareykir zur Durchführung weiterer gravimetrischer Messungen an dem 22 km südöstlich gelegenem Geothermiefeld Krafla genutzt werden.

Description: Plate tectonics describes the movement of rigid plates at the surface of the Earth as well as their complex deformation at three types of plate boundaries: 1) divergent boundaries such as rift zones and mid-ocean ridges, 2) strike-slip boundaries where plates grind past each other, such as the San Andreas Fault, and 3) convergent boundaries that form large mountain ranges like the Andes. The generally narrow deformation zones that bound the plates exhibit complex strain patterns that evolve through time. During this evolution, plate boundary deformation is driven by tectonic forces arising from Earth’s deep interior and from within the lithosphere, but also by surface processes, which erode topographic highs and deposit the resulting sediment into regions of low elevation. Through the combination of these factors, the surface of the Earth evolves in a highly dynamic way with several feedback mechanisms. At divergent boundaries, for example, tensional stresses thin the lithosphere, forcing uplift and subsequent erosion of rift flanks, which creates a sediment source. Meanwhile, the rift center subsides and becomes a topographic low where sediments accumulate. This mass transfer from foot- to hanging wall plays an important role during rifting, as it prolongs the activity of individual normal faults. When rifting continues, continents are eventually split apart, exhuming Earth’s mantle and creating new oceanic crust. Because of the complex interplay between deep tectonic forces that shape plate boundaries and mass redistribution at the Earth’s surface, it is vital to understand feedbacks between the two domains and how they shape our planet. In this study I aim to provide insight on two primary questions: 1) How do divergent and strike-slip plate boundaries evolve? 2) How is this evolution, on a large temporal scale and a smaller structural scale, affected by the alteration of the surface through erosion and deposition? This is done in three chapters that examine the evolution of divergent and strike-slip plate boundaries using numerical models. Chapter 2 takes a detailed look at the evolution of rift systems using two-dimensional models. Specifically, I extract faults from a range of rift models and correlate them through time to examine how fault networks evolve in space and time. By implementing a two-way coupling between the geodynamic code ASPECT and landscape evolution code FastScape, I investigate how the fault network and rift evolution are influenced by the system’s erosional efficiency, which represents many factors like lithology or climate. In Chapter 3, I examine rift evolution from a three-dimensional perspective. In this chapter I study linkage modes for offset rifts to determine when fast-rotating plate-boundary structures known as continental microplates form. Chapter 4 uses the two-way numerical coupling between tectonics and landscape evolution to investigate how a strike-slip boundary responds to large sediment loads, and whether this is sufficient to form an entirely new type of flexural strike-slip basin.

Description: Plattentektonik beschreibt die Bewegung starrer tektonischer Platten an der Erdoberfläche sowie deren komplexe Deformation an drei Arten von Plattengrenzen: 1) divergenten Grenzen wie Grabenbrüchen und mittelozeanische Rücken, 2) transversalen Grenzen, an denen Platten gegeneinander verschoben werden, wie die San-Andreas-Verwerfung, und 3) konvergenten Grenzen, die große Gebirgszüge wie die Anden bilden. Diese schmalen Deformationszonen, die Platten begrenzen, weisen meist komplexe Dehnungsmuster auf, die sich im Laufe der Zeit entwickeln. Während dieser Entwicklung wird die Verformung der Plattengrenzen durch tektonische Kräfte aus dem tiefen Erdinneren und der Lithosphäre, aber auch durch Oberflächenprozesse, welche topografische Erhebungen erodieren und die daraus resultierenden Sedimente in tiefer gelegenen Gebieten ablagern, angetrieben. Durch das Zusammenwirken und die Rückkopplung dieser Faktoren entwickelt sich die Erdoberfläche in einer extrem dynamischen Art und Weise. An divergenten Grenzen beispielsweise dünnen Zugspannungen die Lithosphäre aus, was zu einer Hebung und anschließenden Erosion der Flanken eines Grabenbruchs führt, wobei wiederum Sedimente freigesetzt werden. Währenddessen sinkt das Zentrum des Grabens ab und wird zu einer topografischen Senke, in der sich Sedimente ablagern. Diese Massenumverteilung vom Fuß zum Hang einer Verwerfung spielt eine wichtige Rolle, da er die Aktivität einzelner Verwerfungen verlängert. Durch anhaltende Divergenz werden Kontinente schließlich auseinandergerissen, wodurch der Erdmantel an die Erdoberfläche gefördert und neue ozeanische Kruste gebildet wird. Aufgrund des komplexen Zusammenspiels zwischen tektonischen Kräften aus dem tiefen Erdinneren und der Massenumverteilung an der Erdoberfläche ist es von entscheidender Bedeutung, die Rückkopplungen zwischen diesen beiden Bereichen zu verstehen. In dieser Studie möchte ich Einblicke zu zwei Hauptfragen geben: 1) Wie entwickeln sich divergierende Plattengrenzen? 2) Wie wird diese Entwicklung auf einer großen zeitlichen und einer kleinen strukturellen Skala durch die Veränderung der Oberfläche durch Erosion und Sedimentation beeinflusst? In drei Kapiteln untersuche ich die Entwicklung von divergenten und streichenden Plattengrenzen anhand numerischer Modelle. In Kapitel 2 wird die Entwicklung von Grabenbrüchen anhand zweidimensionaler Modelle im Detail erforscht. Dabei extrahiere ich Verwerfungen aus einer Reihe von Modellen und korreliere sie über die Zeit, um zu untersuchen, wie sich Verwerfungsnetzwerke räumlich und zeitlich entwickeln. Durch die bidirektionale Kopplung des Geodynamik-Codes ASPECT und des Erdoberflächen-Codes FastScape untersuche ich, wie diese Verwerfungsnetzwerk und der Grabenbruch im Allgemeinen durch die Erosionseffizienz des Systems, welche viele Faktoren wie Lithologie oder Klima abbildet, beeinflusst werden. In Kapitel 3 untersuche ich die Entwicklung eines Grabenbruchs aus einer dreidimensionalen Perspektive. In diesem Kapitel analysiere ich wie sich gegeneinander versetzte Grabenbrüche verbinden und wann sich dabei schnell rotierende kontinentale Mikroplatten bilden. In Kapitel 4 nutze ich die entwickelte bidirektionale Kopplung zwischen Geodynamik und Erdoberflächenprozessen, um zu verstehen, wie transversale Plattengrenzen auf Sedimentlasten reagieren und ob die ausreicht, um einen völlig neue Art von Sedimentbecken in dieser Umgebung zu formen.

Description: Localisation of deformation is a ubiquitous feature in continental rift dynamics and observed across drastically different time and length scales. This thesis comprises one experimental and two numerical modelling studies investigating strain localisation in (1) a ductile shear zone induced by a material heterogeneity and (2) in an active continental rift setting. The studies are related by the fact that the weakening mechanisms on the crystallographic and grain size scale enable bulk rock weakening, which fundamentally enables the formation of shear zones, continental rifts and hence plate tectonics. Aiming to investigate the controlling mechanisms on initiation and evolution of a shear zone, the torsion experiments of the experimental study were conducted in a Patterson type apparatus with strong Carrara marble cylinders with a weak, planar Solnhofen limestone inclusion. Using state-of-the-art numerical modelling software, the torsion experiments were simulated to answer questions regarding localisation procedure like stress distribution or the impact of rheological weakening. 2D numerical models were also employed to integrate geophysical and geological data to explain characteristic tectonic evolution of the Southern and Central Kenya Rift. Key elements of the numerical tools are a randomized initial strain distribution and the usage of strain softening. During the torsion experiments, deformation begins to localise at the limestone inclusion tips in a process zone, which propagates into the marble matrix with increasing deformation until a ductile shear zone is established. Minor indicators for coexisting brittle deformation are found close to the inclusion tip and presumed to slightly facilitate strain localisation besides the dominant ductile deformation processes. The 2D numerical model of the torsion experiment successfully predicts local stress concentration and strain rate amplification ahead of the inclusion in first order agreement with the experimental results. A simple linear parametrization of strain weaking enables high accuracy reproduction of phenomenological aspects of the observed weakening. The torsion experiments suggest that loading conditions do not affect strain localisation during high temperature deformation of multiphase material with high viscosity contrasts. A numerical simulation can provide a way of analysing the process zone evolution virtually and extend the examinable frame. Furthermore, the nested structure and anastomosing shape of an ultramylonite band was mimicked with an additional second softening step. Rheological weakening is necessary to establish a shear zone in a strong matrix around a weak inclusion and for ultramylonite formation. Such strain weakening laws are also incorporated into the numerical models of the Southern and Central Kenya Rift that capture the characteristic tectonic evolution. A three-stage early rift evolution is suggested that starts with (1) the accommodation of strain by a single border fault and flexure of the hanging-wall crust, after which (2) faulting in the hanging-wall and the basin centre increases before (3) the early-stage asymmetry is lost and basinward localisation of deformation occurs. Along-strike variability of rifts can be produced by modifying the initial random noise distribution. In summary, the three studies address selected aspects of the broad range of mechanisms and processes that fundamentally enable the deformation of rock and govern the localisation patterns across the scales. In addition to the aforementioned results, the first and second manuscripts combined, demonstrate a procedure to find new or improve on existing numerical formulations for specific rheologies and their dynamic weakening. These formulations are essential in addressing rock deformation from the grain to the global scale. As within the third study of this thesis, where geodynamic controls on the evolution of a rift were examined and acquired by the integration of geological and geophysical data into a numerical model.

Description: Die Lokalisierung von Deformation ist ein allgegenwärtiges Merkmal in der Dynamik von Grabenbrüchen bzw. Riftzonen und wird über verschiedene Zeit- und Längenskalen beobachtet. Diese Arbeit umfasst eine experimentelle und zwei numerische Studien zur Untersuchung der Lokalisierung von Deformation in (1) einer durch eine Materialheterogenität induzierten duktilen Scherzone und (2) in einem aktiven Kontinentalgraben. Die Studien verbindet, dass die Schwächungsmechanismen auf der kristallographischen Skala und der Korngrößenskala eine Enthärtung eines Gesteinkörpers ermöglicht, was im Wesentlichen die Bildung von Scherzonen, Grabenbrüchen und damit Plattentektonik ermöglicht. Um die Kontrollmechanismen für die Initiierung und Entwicklung einer Scherzone zu untersuchen, wurden die Torsionsexperimente der experimentellen Studie in einem Patterson-Gerät an starken Carrara-Marmorzylinder mit einer schwachen, planaren Solnhofen-Kalksteineinschluss durchgeführt. Mit modernster numerischer Modellierungssoftware wurden die Torsionsexperimente simuliert, um weitere Fragen zum Lokalisierungsablauf wie die Verteilung der Spannung oder den Einfluss rheologischer Schwächung zu beantworten. Numerische 2D-Modelle wurden auch verwendet, um geophysikalische und geologische Daten zu kombinieren, um die charakteristische tektonische Entwicklung des südlichen und zentralen Kenia-Rifts zu erklären. Schlüsselelemente der verwendeten numerischen Werkzeuge sind eine randomisierte Anfangsverteilung des Strain und der Einsatz von Strain basierter Enthärtung. Während der Torsionsversuche lokalisiert die Deformation zunächst an den Kalksteineinschlussspitzen in einer Prozesszone, die sich mit zunehmender Deformation in die Marmormatrix ausbreitet bis sich eine duktile Scherzone einstellt. Neben den dominierenden duktilen Verformungsprozessen werden geringfügige Indikatoren für eine koexistierende spröde Verformung nahe der Einschlussspitzen gefunden und es wird angenommen, dass diese die Lokalisierung der Deformation geringfügig erleichtern. In erster Ordnung sagt das numerische 2D-Modell des Torsionsexperiments erfolgreich lokale Spannungskonzentration und Strainratenverstärkung vor der Inklusion in Übereinstimmung mit den experimentellen Ergebnissen vorher. Eine einfache lineare Parametrisierung der Enthärtung durch Strain ermöglicht eine genaue Reproduktion phänomenologischer Aspekte der beobachteten Schwächung. Die Torsionsexperimente legen nahe, dass die Randbedingungen die Lokalisierung des Strain während der Hochtemperaturverformung von Mehrphasenmaterial mit hohen Viskositätskontrasten nicht beeinflussen. Die numerische Simulation ermöglicht es, die Entwicklung der Prozesszone virtuell zu analysieren und den Untersuchungsrahmen zu erweitern. Darüber hinaus wurde die verschachtelte Struktur und anastomosierende Form eines Ultramylonitbandes mit einem zusätzlichen zweiten Enthärtungsschritt nachgeahmt. Die rheologische Schwächung ist notwendig, um eine Scherzone in einer starken Matrix um einen schwachen Einschluss herum und für die Ultramylonitbildung zu etablieren. Solche Schwächungsgesetze, die auf Strain basieren, fließen auch in die numerischen Modelle des südlichen und zentralen Kenia-Rifts ein, die die charakteristische tektonische Entwicklung erfassen. Es wird eine dreistufige frühe Riftentwicklung vorgeschlagen, die mit (1) der Anpassung von Spannungen durch eine einzelne Grenzstörung und Biegung der hangenden Kruste beginnt, wonach (2) die Verwerfung im Hangenden und im Beckenzentrum zunimmt, bevor (3) die Asymmetrie des Frühstadiums verloren geht und es zu einer beckenseitigen Deformationslokalisierung kommt. Die Variabilität von Rissen entlang des Rifts kann durch Modifizieren der anfänglichen zufälligen Rauschverteilung erzeugt werden. Zusammenfassend befassen sich die drei Studien mit ausgewählten Aspekten der breiten Palette von Mechanismen und Prozessen, die die Deformation von Gestein grundlegend ermöglichen und die Lokalisierungsmuster über die Skalen bestimmen. Zusätzlich zu den oben genannten Ergebnissen demonstrieren das erste und zweite Manuskript in Kombination ein Verfahren, um neue oder bestehende numerische Formulierungen für spezifische Rheologien und deren dynamische Schwächung zu finden oder zu verbessern. Diese Formulierungen sind essenziell, um Gesteinsverformung von der Korngrößen bis zur globalen Skala zu untersuchen. Wie in der dritten Studie dieser Dissertation, in der geodynamische Kontrollen auf die Entwicklung eines Grabenbruchs durch die Integration geologischer und geophysikalischer Daten in ein numerisches Modell untersucht und erfasst wurden.

Description: Different lake systems might reflect different climate elements of climate changes, while the responses of lake systems are also divers, and are not completely understood so far. Therefore, a comparison of lakes in different climate zones, during the high-amplitude and abrupt climate fluctuations of the Last Glacial to Holocene transition provides an exceptional opportunity to investigate distinct natural lake system responses to different abrupt climate changes. The aim of this doctoral thesis was to reconstruct climatic and environmental fluctuations down to (sub-) annual resolution from two different lake systems during the Last Glacial-Interglacial transition (~17 and 11 ka). Lake Gościąż, situated in the temperate central Poland, developed in the Allerød after recession of the Last Glacial ice sheets. The Dead Sea is located in the Levant (eastern Mediterranean) within a steep gradient from sub-humid to hyper-arid climate, and formed in the mid-Miocene. Despite their differences in sedimentation processes, both lakes form annual laminations (varves), which are crucial for studies of abrupt climate fluctuations. This doctoral thesis was carried out within the DFG project PALEX-II (Paleohydrology and Extreme Floods from the Dead Sea ICDP Core) that investigates extreme hydro-meteorological events in the ICDP core in relation to climate changes, and ICLEA (Virtual Institute of Integrated Climate and Landscape Evolution Analyses) that intends to better the understanding of climate dynamics and landscape evolutions in north-central Europe since the Last Glacial. Further, it contributes to the Helmholtz Climate Initiative REKLIM (Regional Climate Change and Humans) Research Theme 3 “Extreme events across temporal and spatial scales” that investigates extreme events using climate data, paleo-records and model-based simulations. The three main aims were to (1) establish robust chronologies of the lakes, (2) investigate how major and abrupt climate changes affect the lake systems, and (3) to compare the responses of the two varved lakes to these hemispheric-scale climate changes. Robust chronologies are a prerequisite for high-resolved climate and environmental reconstructions, as well as for archive comparisons. Thus, addressing the first aim, the novel chronology of Lake Gościąż was established by microscopic varve counting and Bayesian age-depth modelling in Bacon for a non-varved section, and was corroborated by independent age constrains from 137Cs activity concentration measurements, AMS radiocarbon dating and pollen analysis. The varve chronology reaches from the late Allerød until AD 2015, revealing more Holocene varves than a previous study of Lake Gościąż suggested. Varve formation throughout the complete Younger Dryas (YD) even allowed the identification of annually- to decadal-resolved leads and lags in proxy responses at the YD transitions. The lateglacial chronology of the Dead Sea (DS) was thus far mainly based on radiocarbon and U/Th-dating. In the unique ICDP core from the deep lake centre, continuous search for cryptotephra has been carried out in lateglacial sediments between two prominent gypsum deposits – the Upper and Additional Gypsum Units (UGU and AGU, respectively). Two cryptotephras were identified with glass analyses that correlate with tephra deposits from the Süphan and Nemrut volcanoes indicating that the AGU is ~1000 years younger than previously assumed, shifting it into the YD, and the underlying varved interval into the Bølling/Allerød, contradicting previous assumptions. Using microfacies analyses, stable isotopes and temperature reconstructions, the second aim was achieved at Lake Gościąż. The YD lake system was dynamic, characterized by higher aquatic bioproductivity, more re-suspended material and less anoxia than during the Allerød and Early Holocene, mainly influenced by stronger water circulation and catchment erosion due to stronger westerly winds and less lake sheltering. Cooling at the YD onset was ~100 years longer than the final warming, while environmental proxies lagged the onset of cooling by ~90 years, but occurred contemporaneously during the termination of the YD. Chironomid-based temperature reconstructions support recent studies indicating mild YD summer temperatures. Such a comparison of annually-resolved proxy responses to both abrupt YD transitions is rare, because most European lake archives do not preserve varves during the YD. To accomplish the second aim at the DS, microfacies analyses were performed between the UGU (~17 ka) and Holocene onset (~11 ka) in shallow- (Masada) and deep-water (ICDP core) environments. This time interval is marked by a huge but fluctuating lake level drop and therefore the complete transition into the Holocene is only recorded in the deep-basin ICDP core. In this thesis, this transition was investigated for the first time continuously and in detail. The final two pronounced lake level drops recorded by deposition of the UGU and AGU, were interrupted by one millennium of relative depositional stability and a positive water budget as recorded by aragonite varve deposition interrupted by only a few event layers. Further, intercalation of aragonite varves between the gypsum beds of the UGU and AGU shows that these generally dry intervals were also marked by decadal- to centennial-long rises in lake level. While continuous aragonite varves indicate decadal-long stable phases, the occurrence of thicker and more frequent event layers suggests general more instability during the gypsum units. These results suggest a pattern of complex and variable hydroclimate at different time scales during the Lateglacial at the DS. The third aim was accomplished based on the individual studies above that jointly provide an integrated picture of different lake responses to different climate elements of hemispheric-scale abrupt climate changes during the Last Glacial-Interglacial transition. In general, climatically-driven facies changes are more dramatic in the DS than at Lake Gościąż. Further, Lake Gościąż is characterized by continuous varve formation nearly throughout the complete profile, whereas the DS record is widely characterized by extreme event layers, hampering the establishment of a continuous varve chronology. The lateglacial sedimentation in Lake Gościąż is mainly influenced by westerly winds and minor by changes in catchment vegetation, whereas the DS is primarily influenced by changes in winter precipitation, which are caused by temperature variations in the Mediterranean. Interestingly, sedimentation in both archives is more stable during the Bølling/Allerød and more dynamic during the YD, even when sedimentation processes are different. In summary, this doctoral thesis presents seasonally-resolved records from two lake archives during the Lateglacial (ca 17-11 ka) to investigate the impact of abrupt climate changes in different lake systems. New age constrains from the identification of volcanic glass shards in the lateglacial sediments of the DS allowed the first lithology-based interpretation of the YD in the DS record and its comparison to Lake Gościąż. This highlights the importance of the construction of a robust chronology, and provides a first step for synchronization of the DS with other eastern Mediterranean archives. Further, climate reconstructions from the lake sediments showed variability on different time scales in the different archives, i.e. decadal- to millennial fluctuations in the lateglacial DS, and even annual variations and sub-decadal leads and lags in proxy responses during the rapid YD transitions in Lake Gościąż. This showed the importance of a comparison of different lake archives to better understand the regional and local impacts of hemispheric-scale climate variability. An unprecedented example is demonstrated here of how different lake systems show different lake responses and also react to different climate elements of abrupt climate changes. This further highlights the importance of the understanding of the respective lake system for climate reconstructions. Verschiedene Seesysteme können unterschiedliche Klimaelemente während Klimaveränderungen wiederspiegeln und auch diverse Seesystemreaktionen aufweisen, wobei letztere bislang noch nicht vollständig verstanden sind. Ein Vergleich von Seesystemen in verschiedenen Klimazonen während der hoch-amplituden und abrupten Klimaveränderung innerhalb des Übergangs vom Letzten Glazial zum Holozän, ermöglicht die Untersuchung deutlicher natürlicher Seesystemreaktionen in Bezug zu abrupten Klimaänderungen. Das Ziel dieser Doktorarbeit war die Rekonstruktion von Klima- und Umweltschwankungen von zwei verschiedenen Seesystemen während des Letzten Glazial-Interglazial-Übergangs (~17.000-11.000 BP) bis hinunter zu saisonaler Auflösung. Der Gościąż See liegt in der gemäßigten Klimazone in Zentralpolen und entwickelte sich im Allerød nach dem Rückgang der Eisschilde des letzten Glazials. Das Tote Meer liegt in der Levante (östlicher Mittelmeerraum) innerhalb eines steilen Gradienten von subhumidem zu hyperaridem Klima und entstand im mittleren Miozän. Trotz ihrer unterschiedlichen Sedimentationsprozesse bilden beide Seen jährliche Laminierungen (Warven) aus. Dies ist essentiell für Studien abrupter Klimaveränderungen. Diese Doktorarbeit wurde innerhalb des DFG-Projektes PALEX-II (Paläohydrologie und Sturzfluten vom ICDP-Kern des Toten Meeres) und ICELA (Virtuelles Institut zur Integrierten Klima- und Landschaftsentwicklungsanalyse) durchgeführt. PALEX-II untersucht hydrometeorologische Extremereignisse im ICDP-Kern in Bezug zu Klimaveränderungen, während ICLEA beabsichtig das Verständnis von Klimadynamiken und Landschaftsevolution in Nord- und Zentraleuropa seit dem letzten Glazial zu verbessern. Zudem, trägt diese Doktorarbeit auch zum Forschungsthema 3 „Extremevents auf unterschiedlichen zeitlichen und räumlichen Skalen“ der Helmholtz-Klimainitiative REKLIM (Regionale Klimaänderungen und Mensch) bei, das basierend auf Klimadaten, Paläoarchiven und modelbasierten Simulationen Extremevents untersucht. Robuste Chronologien sind Voraussetzung für hochaufgelöste Klima- und Umweltstudien, sowie für den Vergleich von Archiven. Um das erste Ziel zu erreichen, wurde für den Gościąż See mithilfe von mikroskopischer Warvenzählung und einer bayesschen Alters-Tiefen-Modellierung eine neue Chronologie erstellt. Diese wurde durch unabhängige Altersinformationen von 137Cs Konzentrationsmessungen, AMS Radiokarbondatierung und Pollenanalyse bestätigt. Die Warvenchronologie beginnt im späten Allerød und endet AD 2015. Sie offenbart mehr Warven im Holozän als in einer früheren Studie vom Gościąż See gezeigt wurde. Warvenbildung durch die gesamte Jüngere Dryaszeit (JD) hindurch ermöglicht sogar die Identifizierung von jährlich bis dekadisch aufgelösten Abfolgen in Proxyreaktion während der Übergangszonen der JD. Die spätglaziale Chronologie des Toten Meeres basierte bisher auf Radiokarbon- und U/Th-Datierungen. In den spätglazialen Sedimenten des einzigartigen ICDP-Kern vom tiefen Seezentrum wurde zwischen zwei markanten Gipseinheiten – den Oberen und Zusätzlichen Gipseinheiten (UGU bzw. AGU) – kontinuierlich nach Kryptotephra gesucht. Gläser zweier Kryptotephren korrelieren mit Aschenablagerungen der Süphan und Nemrut Vulkane. Dies deutet darauf hin, dass die AGU ~1000 Jahre jünger ist als bisher angenommen, was sie komplett in die JD verlagert und das darunterliegende warvierte Intervall in das Bølling/Allerød. Diese Ergebnisse widersprechen bisherigen Annahmen. Unter Verwendung von Mikrofaziesanalysen, stabiler Isotope und Temperaturrekonstruktionen, wurde das zweite Ziel am Gościąż See erreicht. Das Seesystem war während der JD dynamisch und durch höhere aquatische Bioproduktivität, Resuspension und geringere anoxische Bedingungen als das Allerød und frühe Holozän gekennzeichnet. Dies wurde hauptsächlich durch eine verstärkte Wasserzirkulation und Erosion im Einzugsgebiet hervorgerufen, die wiederum durch stärkere Westwinde und geringeren Schutz vor Wind im Einzugsgebiet verursacht wurden. Die Abkühlung am Beginn der JD war etwa 100 Jahre länger als die finale Erwärmung an ihrem Ende, während die Umweltproxies ca. 90 Jahre nach Beginn der Abkühlung, aber gleichzeitig mit der Erwärmung auftraten. Auf Chironomiden basierende Temperatur-rekonstruktionen unterstützen neueste Studien, die milde Sommertemperaturen während der JD anzeigen. Da die meisten europäischen Seearchive keine Warven während der JD erhalten, ist ein solcher Vergleich von jährlich aufgelösten Proxyreaktionen während beiden JD Übergangszonen sehr selten. Um das zweite Ziel auch am Toten Meer zu realisieren, wurden Mikrofaziesanalysen zwischen der UGU (~17.000 BP) und dem Beginn des Holozäns (~11.000 BP) in Sedimenten aus dem Flachwasserbereich (Masada) und aus dem tiefen Becken (ICDP-Kern) durchgeführt. In diesem Intervall sinkt der Seespiegel gewaltig ab, wobei er von Schwankungen betroffen ist. Daher ist der komplette Übergang in das Holozän nur im ICDP-Kern enthalten, der im tiefen Becken gezogen wurde. In dieser Doktorarbeit wurde dieser Übergang zum ersten Mal kontinuierlich und im Detail untersucht. Während der beiden finalen Seespiegelabfälle wurden die UGU und AGU abgelagert. Zwischen den beiden Gipseinheiten zeugen jedoch Aragonitwarven und nur wenige Extremevents von sedimentärer Stabilität und einem positiven Wasserbudget für beinahe ein Jahrtausend. Selbst innerhalb der UGU und AGU deutet die Ablagerung von Aragonitwarven zwischen Gipslagen auf Dekaden bis Jahrhunderte andauernde Anstiege im Seespiegel hin, was zeigt, dass UGU und AGU nicht kontinuierlich von Trockenheit gekennzeichnet waren. Die kontinuierliche Bildung von Aragonitwarven zeigt hier stabile Phasen über Dekaden, wohingegen mächtigere und häufigere Extremevents generell auf eine erhöhte Instabilität während der Gipseinheiten hindeuten. Diese Ergebnisse zeigen, dass ein komplexes und variables Hydroklima auf unterschiedlichen Zeitskalen während des Spätglazials am Toten Meer operierte. Das dritte Ziel wurde basierend auf den individuellen Studien erreicht, die zusammen ein ganzheitliches Bild zu verschiedenen Seesystemreaktionen liefern, die während des Übergangs vom letzten Glazial zum Holozän durch diverse Klimaelemente während abrupter Klimaveränderungen mit hemisphärischen Ausmaßen beeinflusst sind. Grundsätzlich sind die durch Klimaänderungen ausgelösten Faziesänderungen ausgeprägter am Toten Meer als im Gościąż See. Zudem ist der Gościąż See beinahe durchgängig warviert, während die Sedimente des Toten Meeres weithin durch Ablagerungen von Extremevents geprägt sind, welche die Konstruktion einer kontinuierlichen Warvenchronologie verhindern. Die spätglaziale Sedimentation im Gościąż See ist hauptsächlich durch Westwinde beeinflusst und untergeordnet auch durch Vegetationsänderungen im Einzugsgebiet. Im Gegensatz dazu ist die spätglaziale Sedimentation im Toten Meer überwiegend von Schwankungen im Niederschlag während des Winters beeinflusst. Diese wiederum werden durch Temperaturschwankungen im Mittelmeer verursacht. Obwohl die Sedimentationsprozesse so verschieden sind, ist die Sedimentation interessanterweise in beiden Archiven stabiler im Bølling/Allerød und dynamischer in der JD. Kurz zusammengefasst, präsentiert diese Doktorarbeit saisonal-aufgelöste Sedimentprofile zweier Seearchive während des Spätglazials (ca. 17.000-11.000 BP), um die Auswirkungen abrupter Klimaveränderungen in verschiedenen Seesystemen zu untersuchen. Neue Altersinformationen anhand der Identifizierung von vulkanischen Aschen in den spätglazialen Sedimenten des Toten Meeres erlaubten die erste Lithologie-basierte Interpretation der JD im Sedimentprofil des Toten Meeres und den Vergleich mit dem Gościąż See. Dies hebt die Bedeutung der Erstellung einer robusten Chronologie hervor und liefert einen ersten Schritt für die Synchronisierung des Toten Meeres mit anderen Archiven im östlichen Mittelmeerraum. Des Weiteren haben die Klimarekonstruktionen anhand der Seesedimente Variabilität auf verschiedenen Zeitskalen in den Archiven gezeigt. Diese umfassen dekadische bis tausendjährige Schwankungen im Toten Meer und sogar jährliche und sub-dekadische Schwankungen in Proxys während der rapiden Übergangszonen der JD im Gościąż See. Dies zeigt wie bedeutend es ist verschiedene Seearchive zu vergleichen um die regionalen und lokalen Auswirkungen von hemisphärischen Klimaschwankungen besser zu verstehen. Hier wurde eine beispiellose Fallstudie gezeigt, die die diversen Reaktionen unterschiedlicher Seen beleuchtet und aufzeigt wie diese von verschiedenen Klimaelementen abrupter Klimaveränderungen beeinflusst werden können. Dies hebt auch hervor, wie bedeutsam es für Klimarekonstruktionen ist das jeweilige Seesystem zu verstehen.

Description: Verschiedene Seesysteme können unterschiedliche Klimaelemente während Klimaveränderungen wiederspiegeln und auch diverse Seesystemreaktionen aufweisen, wobei letztere bislang noch nicht vollständig verstanden sind. Ein Vergleich von Seesystemen in verschiedenen Klimazonen während der hoch-amplituden und abrupten Klimaveränderung innerhalb des Übergangs vom Letzten Glazial zum Holozän, ermöglicht die Untersuchung deutlicher natürlicher Seesystemreaktionen in Bezug zu abrupten Klimaänderungen. Das Ziel dieser Doktorarbeit war die Rekonstruktion von Klima- und Umweltschwankungen von zwei verschiedenen Seesystemen während des Letzten Glazial-Interglazial-Übergangs (~17.000-11.000 BP) bis hinunter zu saisonaler Auflösung. Der Gościąż See liegt in der gemäßigten Klimazone in Zentralpolen und entwickelte sich im Allerød nach dem Rückgang der Eisschilde des letzten Glazials. Das Tote Meer liegt in der Levante (östlicher Mittelmeerraum) innerhalb eines steilen Gradienten von subhumidem zu hyperaridem Klima und entstand im mittleren Miozän. Trotz ihrer unterschiedlichen Sedimentationsprozesse bilden beide Seen jährliche Laminierungen (Warven) aus. Dies ist essentiell für Studien abrupter Klimaveränderungen. Diese Doktorarbeit wurde innerhalb des DFG-Projektes PALEX-II (Paläohydrologie und Sturzfluten vom ICDP-Kern des Toten Meeres) und ICELA (Virtuelles Institut zur Integrierten Klima- und Landschaftsentwicklungsanalyse) durchgeführt. PALEX-II untersucht hydrometeorologische Extremereignisse im ICDP-Kern in Bezug zu Klimaveränderungen, während ICLEA beabsichtig das Verständnis von Klimadynamiken und Landschaftsevolution in Nord- und Zentraleuropa seit dem letzten Glazial zu verbessern. Zudem, trägt diese Doktorarbeit auch zum Forschungsthema 3 „Extremevents auf unterschiedlichen zeitlichen und räumlichen Skalen“ der Helmholtz-Klimainitiative REKLIM (Regionale Klimaänderungen und Mensch) bei, das basierend auf Klimadaten, Paläoarchiven und modelbasierten Simulationen Extremevents untersucht. Robuste Chronologien sind Voraussetzung für hochaufgelöste Klima- und Umweltstudien, sowie für den Vergleich von Archiven. Um das erste Ziel zu erreichen, wurde für den Gościąż See mithilfe von mikroskopischer Warvenzählung und einer bayesschen Alters-Tiefen-Modellierung eine neue Chronologie erstellt. Diese wurde durch unabhängige Altersinformationen von 137Cs Konzentrationsmessungen, AMS Radiokarbondatierung und Pollenanalyse bestätigt. Die Warvenchronologie beginnt im späten Allerød und endet AD 2015. Sie offenbart mehr Warven im Holozän als in einer früheren Studie vom Gościąż See gezeigt wurde. Warvenbildung durch die gesamte Jüngere Dryaszeit (JD) hindurch ermöglicht sogar die Identifizierung von jährlich bis dekadisch aufgelösten Abfolgen in Proxyreaktion während der Übergangszonen der JD. Die spätglaziale Chronologie des Toten Meeres basierte bisher auf Radiokarbon- und U/Th-Datierungen. In den spätglazialen Sedimenten des einzigartigen ICDP-Kern vom tiefen Seezentrum wurde zwischen zwei markanten Gipseinheiten – den Oberen und Zusätzlichen Gipseinheiten (UGU bzw. AGU) – kontinuierlich nach Kryptotephra gesucht. Gläser zweier Kryptotephren korrelieren mit Aschenablagerungen der Süphan und Nemrut Vulkane. Dies deutet darauf hin, dass die AGU ~1000 Jahre jünger ist als bisher angenommen, was sie komplett in die JD verlagert und das darunterliegende warvierte Intervall in das Bølling/Allerød. Diese Ergebnisse widersprechen bisherigen Annahmen. Unter Verwendung von Mikrofaziesanalysen, stabiler Isotope und Temperaturrekonstruktionen, wurde das zweite Ziel am Gościąż See erreicht. Das Seesystem war während der JD dynamisch und durch höhere aquatische Bioproduktivität, Resuspension und geringere anoxische Bedingungen als das Allerød und frühe Holozän gekennzeichnet. Dies wurde hauptsächlich durch eine verstärkte Wasserzirkulation und Erosion im Einzugsgebiet hervorgerufen, die wiederum durch stärkere Westwinde und geringeren Schutz vor Wind im Einzugsgebiet verursacht wurden. Die Abkühlung am Beginn der JD war etwa 100 Jahre länger als die finale Erwärmung an ihrem Ende, während die Umweltproxies ca. 90 Jahre nach Beginn der Abkühlung, aber gleichzeitig mit der Erwärmung auftraten. Auf Chironomiden basierende Temperatur-rekonstruktionen unterstützen neueste Studien, die milde Sommertemperaturen während der JD anzeigen. Da die meisten europäischen Seearchive keine Warven während der JD erhalten, ist ein solcher Vergleich von jährlich aufgelösten Proxyreaktionen während beiden JD Übergangszonen sehr selten. Um das zweite Ziel auch am Toten Meer zu realisieren, wurden Mikrofaziesanalysen zwischen der UGU (~17.000 BP) und dem Beginn des Holozäns (~11.000 BP) in Sedimenten aus dem Flachwasserbereich (Masada) und aus dem tiefen Becken (ICDP-Kern) durchgeführt. In diesem Intervall sinkt der Seespiegel gewaltig ab, wobei er von Schwankungen betroffen ist. Daher ist der komplette Übergang in das Holozän nur im ICDP-Kern enthalten, der im tiefen Becken gezogen wurde. In dieser Doktorarbeit wurde dieser Übergang zum ersten Mal kontinuierlich und im Detail untersucht. Während der beiden finalen Seespiegelabfälle wurden die UGU und AGU abgelagert. Zwischen den beiden Gipseinheiten zeugen jedoch Aragonitwarven und nur wenige Extremevents von sedimentärer Stabilität und einem positiven Wasserbudget für beinahe ein Jahrtausend. Selbst innerhalb der UGU und AGU deutet die Ablagerung von Aragonitwarven zwischen Gipslagen auf Dekaden bis Jahrhunderte andauernde Anstiege im Seespiegel hin, was zeigt, dass UGU und AGU nicht kontinuierlich von Trockenheit gekennzeichnet waren. Die kontinuierliche Bildung von Aragonitwarven zeigt hier stabile Phasen über Dekaden, wohingegen mächtigere und häufigere Extremevents generell auf eine erhöhte Instabilität während der Gipseinheiten hindeuten. Diese Ergebnisse zeigen, dass ein komplexes und variables Hydroklima auf unterschiedlichen Zeitskalen während des Spätglazials am Toten Meer operierte. Das dritte Ziel wurde basierend auf den individuellen Studien erreicht, die zusammen ein ganzheitliches Bild zu verschiedenen Seesystemreaktionen liefern, die während des Übergangs vom letzten Glazial zum Holozän durch diverse Klimaelemente während abrupter Klimaveränderungen mit hemisphärischen Ausmaßen beeinflusst sind. Grundsätzlich sind die durch Klimaänderungen ausgelösten Faziesänderungen ausgeprägter am Toten Meer als im Gościąż See. Zudem ist der Gościąż See beinahe durchgängig warviert, während die Sedimente des Toten Meeres weithin durch Ablagerungen von Extremevents geprägt sind, welche die Konstruktion einer kontinuierlichen Warvenchronologie verhindern. Die spätglaziale Sedimentation im Gościąż See ist hauptsächlich durch Westwinde beeinflusst und untergeordnet auch durch Vegetationsänderungen im Einzugsgebiet. Im Gegensatz dazu ist die spätglaziale Sedimentation im Toten Meer überwiegend von Schwankungen im Niederschlag während des Winters beeinflusst. Diese wiederum werden durch Temperaturschwankungen im Mittelmeer verursacht. Obwohl die Sedimentationsprozesse so verschieden sind, ist die Sedimentation interessanterweise in beiden Archiven stabiler im Bølling/Allerød und dynamischer in der JD. Kurz zusammengefasst, präsentiert diese Doktorarbeit saisonal-aufgelöste Sedimentprofile zweier Seearchive während des Spätglazials (ca. 17.000-11.000 BP), um die Auswirkungen abrupter Klimaveränderungen in verschiedenen Seesystemen zu untersuchen. Neue Altersinformationen anhand der Identifizierung von vulkanischen Aschen in den spätglazialen Sedimenten des Toten Meeres erlaubten die erste Lithologie-basierte Interpretation der JD im Sedimentprofil des Toten Meeres und den Vergleich mit dem Gościąż See. Dies hebt die Bedeutung der Erstellung einer robusten Chronologie hervor und liefert einen ersten Schritt für die Synchronisierung des Toten Meeres mit anderen Archiven im östlichen Mittelmeerraum. Des Weiteren haben die Klimarekonstruktionen anhand der Seesedimente Variabilität auf verschiedenen Zeitskalen in den Archiven gezeigt. Diese umfassen dekadische bis tausendjährige Schwankungen im Toten Meer und sogar jährliche und sub-dekadische Schwankungen in Proxys während der rapiden Übergangszonen der JD im Gościąż See. Dies zeigt wie bedeutend es ist verschiedene Seearchive zu vergleichen um die regionalen und lokalen Auswirkungen von hemisphärischen Klimaschwankungen besser zu verstehen. Hier wurde eine beispiellose Fallstudie gezeigt, die die diversen Reaktionen unterschiedlicher Seen beleuchtet und aufzeigt wie diese von verschiedenen Klimaelementen abrupter Klimaveränderungen beeinflusst werden können. Dies hebt auch hervor, wie bedeutsam es für Klimarekonstruktionen ist das jeweilige Seesystem zu verstehen.

Description: Humankind and their environment need to be protected from the harmful effects of spent nuclear fuel, and therefore disposal in deep geological formations is favoured worldwide. Suitability of potential host rocks is evaluated, among others, by the retention capacity with respect to radionuclides. Safety assessments are based on the quantification of radionuclide migration lengths with numerical simulations as experiments cannot cover the required temporal (1 Ma) and spatial scales (〉100 m). Aim of the present thesis is to assess the migration of uranium, a geochemically complex radionuclide, in the potential host rock Opalinus Clay. Radionuclide migration in clay formations is governed by diffusion due to their low permeability and retarded by sorption. Both processes highly depend on pore water geochemistry and mineralogy that vary between different facies. Diffusion is quantified with the single-component (SC) approach using one diffusion coefficient for all species and the process-based multi-component (MC) option. With this, each species is assigned its own diffusion coefficient and the interaction with the diffuse double layer is taken into account. Sorption is integrated via a bottom-up approach using mechanistic surface complexation models and cation exchange. Therefore, reactive transport simulations are conducted with the geochemical code PHREEQC to quantify uranium migration, i.e. diffusion and sorption, as a function of mineralogical and geochemical heterogeneities on the host rock scale. Sorption processes are facies dependent. Migration lengths vary between the Opalinus Clay facies by up to 10 m. Thereby, the geochemistry of the pore water, in particular the partial pressure of carbon dioxide (pCO2), is more decisive for the sorption capacity than the amount of clay minerals. Nevertheless, higher clay mineral quantities compensate geochemical variations. Consequently, sorption processes must be quantified as a function of pore water geochemistry in contact with the mineral assemblage. Uranium diffusion in the Opalinus Clay is facies independent. Speciation is dominated by aqueous ternary complexes of U(VI) with calcium and carbonate. Differences in the migration lengths between SC and MC diffusion are with +/-5 m negligible. Further, the application of the MC approach highly depends on the quality and availability of the underlying data. Therefore, diffusion processes can be adequately quantified with the SC approach using experimentally determined diffusion coefficients. The hydrogeological system governs pore water geochemistry within the formation rather than the mineralogy. Diffusive exchange with the adjacent aquifers established geochemical gradients over geological time scales that can enhance migration by up to 25 m. Consequently, uranium sorption processes must be quantified following the identified priority: pCO2 〉 hydrogeology 〉 mineralogy. The presented research provides a workflow and orientation for other potential disposal sites with similar pore water geochemistry due to the identified mechanisms and dependencies. With a maximum migration length of 70 m, the retention capacity of the Opalinus Clay with respect to uranium is sufficient to fulfill the German legal minimum requirement of a thickness of at least 100 m.

Description: Ziel der Dissertation ist es, die Migration des geochemisch komplexen Radionuklids Uran im potenziellen Wirtsgestein Opalinuston zu bewerten. In Tonformationen wird die Radionuklidmigration aufgrund der geringen Durchlässigkeit von Diffusion bestimmt und durch Sorption verzögert. Beide Prozesse hängen stark von der Porenwassergeochemie und Mineralogie ab, die zwischen verschiedenen Fazies variieren. Die Diffusion wird mit dem Einkomponenten- (SC) und Mehrkomponentenansatz (MC) quantifiziert. Nach dem SC-Ansatz wird ein Diffusionskoeffizient für alle Spezies verwendet, wohingegen mit der MC-Option individuelle Werte zugewiesen und die Interaktion mit der diffusen Doppelschicht berücksichtigt wird. Die Sorption ist mit Hilfe mechanistischer Oberflächenkomplexierungsmodelle und Kationenaustausch integriert. Die Durchführung reaktiver Transportsimulationen mit dem Code PHREEQC ermöglicht die Quantifizierung der Uranmigration, d. h. Diffusion und Sorption, in Abhängigkeit der Mineralogie und Porenwassergeochemie für die Wirtsgesteinsskala. Sorptionsprozesse sind faziesabhängig. Die Migrationslängen variieren um bis zu 10 m zwischen den Fazies aufgrund von Unterschieden in der Porenwassergeochemie. Dabei ist insbesondere der Partialdruck des Kohlendioxids (pCO2) entscheidender für die Sorptionskapazität als die Menge an Tonmineralen. Allerdings kompensieren höhere Tonmineralmengen geochemische Schwankungen. Folglich müssen Sorptionsprozesse in Abhängigkeit der Porenwassergeochemie quantifiziert werden. Urandiffusion ist faziesunabhängig. Die Speziation wird durch aquatische ternäre Komplexe von U(VI) mit Kalzium und Karbonat dominiert. Die Unterschiede in den Migrationslängen zwischen SC- und MC-Diffusion sind mit +/-5 m vernachlässigbar. Die Anwendung des MC-Ansatzes hängt stark von der Qualität und Verfügbarkeit der zugrunde liegenden Daten ab. Diffusionsprozesse können also mit dem SC-Ansatz unter Verwendung experimentell ermittelter Diffusionskoeffizienten quantifiziert werden. Haupteinflussfaktor auf die Porenwassergeochemie ist das hydrogeologische System und nicht die Mineralogie. Der diffusive Austausch mit den angrenzenden Aquiferen hat über geologische Zeiträume geochemische Gradienten geschaffen, die die Migration um bis zu 25 m verlängern können. Folglich müssen Sorptionsprozesse nach der identifizierten Priorität quantifiziert werden: pCO2 〉 Hydrogeologie 〉 Mineralogie. Die ermittelten Abhängigkeiten dienen als Orientierung für andere potenzielle Endlagerstandorte mit ähnlicher Porenwassergeochemie. Mit einer maximalen Migration von 70 m reicht das Rückhaltevermögen des Opalinustons gegenüber Uran aus, um die deutsche gesetzliche Mindestanforderung von 100 m Mächtigkeit zu erfüllen.