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  • Other Sources  (21)
  • Springer  (16)
  • International Union of Crystallography  (5)
  • 2020-2023  (21)
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  • 2022  (21)
  • 1
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    Site dependence of the magnetocaloric effect in Mn5−xFexSi3 (2022)
    Ait Haddouch, Mohammed ; Abboushi, Nour ; Sharma, Neetika ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-12-06
    Description: The nuclear and magnetic structures of Mn3Fe2Si3 are investigated in the temperature range from 20 to 300 K. The magnetic properties of Mn3Fe2Si3 were measured on a single crystal. The compound undergoes a paramagnetic to antiferromagnetic transition at TN2 ≃ 120 K and an antiferromagnetic to antiferromagnetic transition at TN1 ≃ 69 K. A similar sequence of magnetic phase transitions is found for the parent compound Mn5Si3 upon temperature variation, but the field‐driven transition observed in Mn5Si3 is not found in Mn3Fe2Si3, resulting in a strongly reduced magnetocaloric effect. Structurally, the hexagonal symmetry found for both compounds under ambient conditions is preserved in Mn3Fe2Si3 through both magnetic transitions, indicating that the crystal structure is only weakly affected by the magnetic phase transition, in contrast to Mn5Si3 where both transitions distort the nuclear structure. Both compounds feature a collinear high‐temperature magnetic phase AF2 and transfer into a non‐collinear phase AF1 at low temperature. While one of the distinct crystallographic sites remains disordered in the AF2 phase in the parent compound, the magnetic structure in the AF2 phase involves all magnetic atoms in Mn3Fe2Si3. These observations imply that the distinct sites occupied by the magnetic atoms play an important role in the magnetocaloric behaviour of the family.
    Description: The nuclear and magnetic structures of Mn3Fe2Si3 are determined and the magnetic properties are compared with those of the parent compound Mn5Si3. The results imply that the distinct magnetic sites play an important role in the magnetocaloric behaviour of the family. image
    Keywords: ddc:548 ; magnetocaloric effect ; magnetic structure ; neutron diffraction ; synchrotron diffraction ; site dependence
    Language: English
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  • 2
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    Sub‐micrometer focusing setup for high‐pressure crystallography at the Extreme Conditions beamline at PETRA III (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-06-24
    Description: Scientific tasks aimed at decoding and characterizing complex systems and processes at high pressures set new challenges for modern X‐ray diffraction instrumentation in terms of X‐ray flux, focal spot size and sample positioning. Presented here are new developments at the Extreme Conditions beamline (P02.2, PETRA III, DESY, Germany) that enable considerable improvements in data collection at very high pressures and small scattering volumes. In particular, the focusing of the X‐ray beam to the sub‐micrometer level is described, and control of the aberrations of the focusing compound refractive lenses is made possible with the implementation of a correcting phase plate. This device provides a significant enhancement of the signal‐to‐noise ratio by conditioning the beam shape profile at the focal spot. A new sample alignment system with a small sphere of confusion enables single‐crystal data collection from grains of micrometer to sub‐micrometer dimensions subjected to pressures as high as 200 GPa. The combination of the technical development of the optical path and the sample alignment system contributes to research and gives benefits on various levels, including rapid and accurate diffraction mapping of samples with sub‐micrometer resolution at multimegabar pressures.
    Description: Facing the challenges of X‐ray diffraction from tiny samples subjected to multimegabar pressures, instrumentation developments are presented that enable, among other studies, single‐crystal data collection from micrometer‐ to sub‐micrometer‐sized grains. The developments are based on a sub‐micrometer beam capability employing compound refractive lenses operating with a phase correcting plate and a precise motorization solution.
    Keywords: ddc:548
    Language: English
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  • 3
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    Robust approaches for model‐free small‐angle scattering data analysis (2022)
    Bender, Philipp ; Honecker, Dirk ; Bersweiler, Mathias ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-10-04
    Description: The small‐angle neutron scattering data of nanostructured magnetic samples contain information regarding their chemical and magnetic properties. Often, the first step to access characteristic magnetic and structural length scales is a model‐free investigation. However, due to measurement uncertainties and a restricted q range, a direct Fourier transform usually fails and results in ambiguous distributions. To circumvent these problems, different methods have been introduced to derive regularized, more stable correlation functions, with the indirect Fourier transform being the most prominent approach. Here, the indirect Fourier transform is compared with the singular value decomposition and an iterative algorithm. These approaches are used to determine the correlation function from magnetic small‐angle neutron scattering data of a powder sample of iron oxide nanoparticles; it is shown that with all three methods, in principle, the same correlation function can be derived. Each method has certain advantages and disadvantages, and thus the recommendation is to combine these three approaches to obtain robust results.
    Description: Three different approaches are compared for determination of the correlation function from the small‐angle neutron scattering data of a powder sample of iron oxide nanoparticles.
    Keywords: ddc:548
    Language: English
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  • 4
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    Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross‐correlation functions (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-06-16
    Description: A method of ab initio crystal structure determination from powder diffraction data for organic and metal–organic compounds, which does not require prior indexing of the powder pattern, has been developed. Only a reasonable molecular geometry is required, needing knowledge of neither unit‐cell parameters nor space group. The structures are solved from scratch by a global fit to the powder data using the new program FIDEL‐GO (`FIt with DEviating Lattice parameters ‐ Global Optimization'). FIDEL‐GO uses a similarity measure based on cross‐correlation functions, which allows the comparison of simulated and experimental powder data even if the unit‐cell parameters deviate strongly. The optimization starts from large sets of random structures in various space groups. The unit‐cell parameters, molecular position and orientation, and selected internal degrees of freedom are fitted simultaneously to the powder pattern. The optimization proceeds in an elaborate multi‐step procedure with built‐in clustering of duplicate structures and iterative adaptation of parameter ranges. The best structures are selected for an automatic Rietveld refinement. Finally, a user‐controlled Rietveld refinement is performed. The procedure aims for the analysis of a wide range of `problematic' powder patterns, in particular powders of low crystallinity. The method can also be used for the clustering and screening of a large number of possible structure candidates and other application scenarios. Examples are presented for structure determination from unindexed powder data of the previously unknown structures of the nanocrystalline phases of 4,11‐difluoro‐, 2,9‐dichloro‐ and 2,9‐dichloro‐6,13‐dihydro‐quinacridone, which were solved from powder patterns with 14–20 peaks only, and of the coordination polymer dichloro‐bis(pyridine‐N)copper(II).
    Description: A new method for the structure determination of molecular crystals from unindexed powder data has been developed and successfully applied. The method performs a global optimization using pattern comparison based on cross‐correlation functions.
    Keywords: ddc:548
    Language: English
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  • 5
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    HTD2: a single‐crystal X‐ray diffractometer for combined high‐pressure/low‐temperature experiments at laboratory scale (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-12-15
    Description: High‐pressure (HP) X‐ray diffraction experiments at low temperature (LT) require dedicated instruments as well as non‐standard sample environments and measuring strategies. This is especially true when helium cryogenic temperatures below 80 K are targeted. Furthermore, only experiments on single‐crystalline samples provide the prerequisites to study subtle structural changes in the p–T phase diagram under extreme LT and HP conditions in greater detail. Due to special hardware requirements, such measurements are usually in the realm of synchrotron beamlines. This contribution describes the design of an LT/HP diffractometer (HTD2) to perform single‐crystal X‐ray diffraction experiments using a laboratory source in the temperature range 400 〉 T 〉 2 K while applying pressures of up to 20 GPa.
    Description: The design and operation of a newly commissioned single‐crystal X‐ray diffractometer (HTD2) are presented. The device enables experiments under simultaneous low‐temperature and high‐pressure conditions using a laboratory X‐ray source.
    Keywords: ddc:548 ; HTD2 ; low temperature ; high pressure ; single crystals ; instrumentation
    Language: English
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  • 6
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    Gas Hydrate Accumulations in the Black Sea (2022)
    Springer
    In:  In: World Atlas of Submarine Gas Hydrates in Continental Margins. , ed. by Mienert, J., Berndt, C. 〈https://orcid.org/0000-0001-5055-0180〉, Tréhu, A. M., Camerlenghi, A. and Liu, C. S. Springer, Cham, pp. 451-461.
    Details
    Publication Date: 2022-01-06
    Description: The Black Sea has undergone several limnic and marine stages due to fluctuations in the global sea level. The exchange of saline water from the Mediterranean Sea to the Black Sea through the Bosporus Strait was interrupted when the sea level dropped below the Bosporus sill. This induced limnic conditions, while marine conditions were established after the reconnection to saline Mediterranean seawater. Extended river fan systems developed during sea level low-stands, providing large amounts of organic material being buried by rapid sedimentation on the slopes of the Black Sea margins. The biogenic degradation of this material produces most of the methane gas expelled into the anoxic water column today. This largely happens by ubiquitous cold vents at ~700 m water depth (i.e. at the stability boundary of methane hydrates) and by mud volcanoes in ~2000 m water depth. A significant amount of gas is expected to accumulate in the sediment within the methane hydrate stability zone. However, bottom-simulating reflectors, the seismic indicator for gas hydrates, are not found everywhere along the margin. Recent analyses of the Danube and Dniepr fans have revealed a discontinuous gas hydrate formation in an area with no active seeps, while areas of active seepage located in the vicinity of BSR reflections held no gas hydrates. In addition, the ongoing diffusion of salt into the uppermost Black Sea sediment pore space since the last glacial maximum further reduces the volume of the gas hydrate stability zone. Estimates of the total amount of gas stored in gas hydrates therefore require a detailed structural analysis prior to regional- or basin-scale modelling attempts.
    Type: Book chapter , NonPeerReviewed
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  • 7
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    Electromagnetic Applications in Methane Hydrate Reservoirs (2022)
    Springer
    In:  In: World Atlas of Submarine Gas Hydrates in Continental Margins. , ed. by Mienert, J., Berndt, C. 〈https://orcid.org/0000-0001-5055-0180〉, Tréhu, A. M., Camerlenghi, A. and Liu, C. S. Springer, Cham, pp. 73-85.
    Details
    Publication Date: 2022-01-20
    Description: Marine electromagnetic methods provide useful and independent measures for the identification and quantification of submarine gas hydrates. The resistivity of seafloor sediments, drawn from area-wide electromagnetic data, mainly depends on the sediment porosity and the nature of the pore fluid. Gas hydrates and free gas are both electrically resistive. The replacement of saline water, thus conductive pore water with resistive gas hydrate or free gas, increases the sediment resistivity and can be used to provide accurate saturation estimates if the background lithology is known. While seismic methods are predominantly used to study the distribution of submarine gas hydrates, a growing number of global field studies have demonstrated that the joint interpretation of marine seismic and electromagnetic methods improves the evaluation of submarine gas hydrate targets. This article discusses the relationship between resistivity and free gas/gas hydrate saturation levels, how the resistivity of the sediment may be measured and summarizes the status and results of current and past field studies.
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  • 8
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    Dynamics of Transport, Accumulation, and Export of Plastics at Oceanic Fronts (2022)
    Springer
    Details
    Publication Date: 2022-04-29
    Description: Every year, vast quantities of plastic debris arrive at the ocean surface. Nevertheless, our understanding of plastic movements is largely incomplete and many of the processes involved with the horizontal and vertical displacement of plastics in the ocean are still basically unknown. In this chapter we review the dynamics associated with the transport of plastics and other pollutants at oceanic fronts. Fronts had been historically defined as simple barriers to exchange, but here we show that the role of these structures in influencing the transport of plastics is more complex. The tools used to investigate the occurrence of frontal structures at various spatial scales are reviewed in detail, with a particular focus on their potential applications to the study of plastic pollution. Three selected case studies are presented to better describe the role of fronts in favoring or preventing plastic exchanges: the large-scale Antarctic Circumpolar Current, a Mediterranean mesoscale front, and the submesoscale fronts in the Gulf of Mexico. Lastly, some aspects related to the vertical subduction of plastic particles at oceanic fronts are discussed as one of the most promising frontiers for future research. The accumulation of floating debris at the sea surface is mainly affected by the horizontal components of frontal dynamics. At the same time, vertical components can be relevant for the export of neutrally buoyant particles from the surface into the deep sea. Based on these evidences, we propose that submesoscale processes can provide a fast and efficient route of plastic transport within the mixed layer, while mesoscale instabilities and associated vertical velocities might be the dominant mechanism to penetrate the deeper ocean on slower but broader scales. We conclude that given the ubiquitous presence of fronts in the world’s ocean, their contribution to the global plastic cycle is probably not negligible and the role of these processes in vertically displacing neutrally buoyant microplastics should be investigated in more detail.
    Type: Book chapter , NonPeerReviewed
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  • 9
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    Occurrence and Distribution of Bottom Simulating Reflections in the Barents Sea (2022)
    Springer
    Details
    Publication Date: 2022-05-20
    Description: The Barents Sea, located close to the Arctic Ocean, is a petroleum province featuring an extensive occurrence of gas hydrates and shallow gas in compacted sediments. Glacial erosion and uplift have contributed to the migration of gas originating from deeper rocks to the shallow sediments of this region, resulting in hydrates with higher-order hydrocarbons in addition to methane. This article documents reported gas hydrate indications and major controls on hydrate stability in the Barents Sea.
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  • 10
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    Robust Human-Identifiable Markers for Absolute Relocalization of Underwater Robots in Marine Data Science Applications (2022)
    Springer
    Details
    Publication Date: 2022-05-25
    Description: Since global navigation satellite systems (GNSS) for determining the absolute geolocation do not reach into the ocean, underwater robots typically obtain a GNSS position at the water surface and then use a combination of different sensors for estimating their pose while diving, including inertial navigation, acoustic doppler velocity logs, ultra short baseline localization systems and pressure sensors. When re-navigating to the same seafloor location after several days, months or years, e.g. for coastal monitoring, the absolute uncertainty of such systems can be in the range of meters for shallow water, and tens of meters for deeper waters in practice. To enable absolute relocalization in marine data science applications that require absolute seafloor positions in the range of centimeter precision, in this contribution we suggest to equip the monitoring area with visual markers that can be detected reliably even in case they are partially overgrown or partially buried by sediment, which can happen quickly in coastal waters. Inspired by patterns successful in camera calibration, we create robust markers that exhibit features at different scales, in order to allow detection, identification and pose estimation from different cameras and various altitudes as visibility (and therefore the maximum possible survey altitude) in coastal waters can vary significantly across seasons, tides and weather. The low frequency content of the marker resembles a human-readable digit, in order to allow easy identification by scientists. We present early results including promising initial tests in coastal waters.
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  • 11
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    Offshore Freshened Groundwater in Continental Shelf Environments (2022)
    Springer
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    Publication Date: 2022-06-02
    Description: While offshore groundwater has been utilized by coastal communities as far back as 1000 BC, only in the past 10 years has the global volume of fresh-to-brackish water hosted in offshore aquifers been truly appreciated. There are vast quantities (~300–500 × 103 km3) of offshore freshened groundwater sequestered in continental shelf sediments under water depths of less than 60 m within 110 km of the coastline. New marine geophysical methods now make it possible to map and quantify low salinity offshore groundwater bodies. To date, these offshore resources have not been developed. Offshore freshened groundwater could be produced if wells are located close to the shoreline and coastal desalination plants.
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  • 12
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    Towards Cross Domain Transfer Learning for Underwater Correspondence Search (2022)
    Springer
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    Publication Date: 2022-07-11
    Description: Underwater images are challenging for correspondence search algorithms, which are traditionally designed based on images captured in air and under uniform illumination. In water however, medium interactions have a much higher impact on the light propagation. Absorption and scattering cause wavelength- and distance-dependent color distortion, blurring and contrast reductions. For deeper or turbid waters, artificial illumination is required that usually moves rigidly with the camera and thus increases the appearance differences of the same seafloor spot in different images. Correspondence search, e.g. using image features, is however a core task in underwater visual navigation employed in seafloor surveys and is also required for 3D reconstruction, image retrieval and object detection. For underwater images, it has to be robust against the challenging imaging conditions to avoid decreased accuracy or even failure of computer vision algorithms. However, explicitly taking underwater nuisances into account during the feature extraction and matching process is challenging. On the other hand, learned feature extraction models achieved high performance in many in-air problems in recent years. Hence we investigate, how such a learned robust feature model, D2Net, can be applied to the underwater environment and particularly look into the issue of cross domain transfer learning as a strategy to deal with the lack of annotated underwater training data.
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  • 13
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    Bacterial Fish Diseases and Treatment (2022)
    Springer
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    Publication Date: 2022-08-08
    Description: Fish food is an inevitable item in human consumption with healthy sourceof good quality proteins and fat. Aqua industry can help to improve food security,livelihoods for the poorest and to meet the world’s food demands. But producingmore seafood that is at affordable cost with rich nutrition is challenging for aquaindustry. Many factors affect the productivity of aqua industry; one such an impor-tant constraint is bacterial diseases. Hence, Aqua industry, a booming businesssector, immensely requires continued research with scientific and technical devel-opments, and innovations. Study of bacterialfish disease is one such thrust areawhich requires intense research to understand the causes and control bacterialdiseases infish. The appearance and development of afish disease is the result ofthe interaction among pathogen, host and environment. An insight into bacterialfishdiseases, clinical symptoms and treatment may help to manage the bacterial diseasesand so can make aqua industry a more profitablefield. This chapter deals withdifferent aspects of the most threatening bacterial diseases, occurring in farmedfishes and also in wildfishes, which are results infish loss and economic lossworldwide. A wide range of gram positive and gram-negative bacteria causingbacterial diseases, clinical symptoms, diagnosis, treatment, vaccines and the natureof water habitat are also discussed in this chapter.
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  • 14
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    Lessons Learned in the Digital Earth Project (2022)
    Springer
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    Publication Date: 2022-08-12
    Description: The Digital Earth project aimed for the integration of data science and Earth science. Here, we reflect on the main lessons learned that include the need for interdisciplinary collaboration, thinking out of the box, the concept of ‘thinking in workflows’ and models for the sustainable implementation of scientific software, data infrastructure and policies.
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  • 15
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    The Digital Earth Project: Focus and Agenda (2022)
    Springer
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    Publication Date: 2022-08-12
    Description: Digital Earth is a project funded by the German Helmholtz Association with all centers of the research field Earth and Environment involved. The main goal of the Digital Earth project is to develop and bundle data science methods in extendable and maintainable scientific workflows that enable natural scientists in collaboration with data scientists to achieve a deeper understanding of the Earth system. This has been achieved by developing solutions for data analysis and exploration with visual and computational approaches with data obtained in a SMART monitoring approach and modeling studies, accompanied by a continuous evaluation of the collaboration processes. In this chapter, the history, setup, and focus of the Digital Earth project are described.
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  • 16
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    Evaluating the Success of the Digital Earth Project (2022)
    Springer
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    Publication Date: 2022-08-17
    Description: The Digital Earth project aims at a strong interrelation between Data and Earth Science and a step-change in implementing data science methods within Earth science research. During the project, the progress of interdisciplinary collaboration and adoption of data science methods has been measured and assessed with the goal to trace the success of the project. This chapter provides the set-up of this evaluation and the results from two online questionnaires that were held after the start and before the end of the project.
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  • 17
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    Marine Protists: A Hitchhiker’s Guide to their Role in the Marine Microbiome (2022)
    Springer
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    Publication Date: 2022-08-17
    Description: Diversity within marine microbiomes spans the three domains of life: microbial eukaryotes (i.e., protists), bacteria, and archaea. Although protists were the first microbes observed by microscopy, it took the advent of molecular techniques to begin to resolve their complex and reticulate evolutionary history. Symbioses between microbial entities have been key in this journey, and such interactions continue to shape the ecology of marine microbiomes. Nowadays, photosynthetic marine protists are appreciated for their activities as primary producers, rivalling land plant contributions in the global carbon cycle. Predatory protists are known for consuming prokaryotes and other protists, with some combining metabolisms into a mixotrophic lifestyle. Still, much must be learned about specific interactions and lifestyles, especially for uncultured groups recognized just by environmental sequences. With respect to the fate of protists in food webs, there are many paths to consider. Despite being in early stages of identifying interactions, whether mutualistic or death-inducing infections by parasites and viruses, knowledge is advancing rapidly via methods for interrogation in nature without culturing. Here, we review marine protists, their evolutionary histories, diversity, ecological roles, and lifestyles in all layers of the ocean, with reference to how views have shifted over time through extensive investigation.
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  • 18
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    A community under a pulse perturbation experiment: editorial (2022)
    Springer
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    Publication Date: 2022-11-01
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  • 19
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    Data Science and Earth System Science (2022)
    Springer
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    Publication Date: 2022-12-09
    Description: Data-driven science has turned into a fourth fundamental paradigm of performing research. Earth System Science, following a holistic approach in unraveling the complex network of processes and interactions shaping system Earth, particularly profits from embracing data-driven approaches next to observation and modeling. At the end, increasing digitalization of Earth sciences will lead to cultural transformation towards a Digital Earth Culture.
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  • 20
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    Data Analysis and Exploration with Visual Approaches (2022)
    Springer
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    Publication Date: 2022-12-19
    Description: A comprehensive study of the Earth system and its related processes requires a holistic examination and understanding of multidimensional data acquired with a large number of different sensors or produced by various models. To this end, the Digital Earth project developed a set of software solutions to study environmental data sets using visual approaches. In the following chapter, we present three data visualization products developed to deal with the challenges of the analysis and exploration of environmental data.
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  • 21
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    The Digital Earth Smart Monitoring Concept and Tools (2022)
    Springer
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    Publication Date: 2022-12-19
    Description: Reliable data are the base of all scientific analyses, interpretations and conclusions. Evaluating data in a smart way speeds up the process of interpretation and conclusion and highlights where, when and how additionally acquired data in the field will support knowledge gain. An extended SMART monitoring concept is introduced which includes SMART sensors, DataFlows, MetaData and Sampling approaches and tools. In the course of the Digital Earth project, the meaning of SMART monitoring has significantly evolved. It stands for a combination of hard- and software tools enhancing the traditional monitoring approach where a SMART monitoring DataFlow is processed and analyzed sequentially on the way from the sensor to a repository into an integrated analysis approach. The measured values itself, its metadata, and the status of the sensor, and additional auxiliary data can be made available in real time and analyzed to enhance the sensor output concerning accuracy and precision. Although several parts of the four tools are known, technically feasible and sometimes applied in Earth science studies, there is a large discrepancy between knowledge and our derived ambitions and what is feasible and commonly done in the reality and in the field.
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