ALBERT

Description: Understanding sediment sources is essential to enable more effective targeting of in-field mitigation approaches to reduce diffuse pollution from agricultural land. In this paper we report on the application of rare earth element oxides to arable soils at hillslope scale in order to determine sediment source areas and their relative importance, using a non-intrusive method of surface spraying. Runoff, sediments and rare earth elements lost from four arable hillslope lengths at a site in the UK with clay soils were monitored from three rainfall events after tracer application. Measured erosion rates were low, reflecting the typical event conditions occurring at the site, and less than 1% of the applied REO tracers were recovered, which is consistent with the results of comparable studies. Tracer recovery at the base of the hillslope was able to indicate the relative importance of different hillslope sediment source areas, which were found to be consistent between events. The principal source of eroded sediments was the upslope area, implying that the wheel tracks were principally conduits for sediment transport, and not highly active sites of erosion. Mitigation treatments for sediment losses from arable hillslopes should therefore focus on methodologies for trapping mobile sediments within wheel track areas through increasing surface roughness or reducing the connectivity of sediment transport processes.

Description: We tested laser diffraction particle size analysis in poorly coherent carbonate platform cataclastic breccias and unfaulted quartz-rich eolian sands, representing low- and high-strength granular materials, respectively. We used two different instruments with different sample dispersion and pumping systems and several wet analytical procedures that included different pump speeds, measurement precision tests with and without sample ultrasonication, and different dispersant liquids. Results of our work indicate that high strength material is not strongly affected by analytical operating procedures, whereas low strength materials are very sensitive to the pump speed, ultrasonication intensity, and measurement run time. To reduce such a data variability, we propose a workflow of analytical tests preliminary to the set up of the most appropriate SOP.

Description: A potential link between electromagnetic emission (EME) and seismic activity (SA) has been the subject of scientific speculations for a long time. EME versus SA relations obtained during the 2008 earthquake swarm which occurred in West Bohemia are presented. First, a brief characterisation of the seismic region and then the EME recording method and data analysis will be described. No simple direct link between EME and SA intensity was observed, nevertheless a deeper statistical analysis indicates: (i) slight increase of EME activity in the time interval 60 to 30 min before a seismic event with prevalent periods about 10 min, (ii) some gap in EME activity approximately 2 h after the event, and (iii) again a flat maximum about 4 h after the seismic events. These results qualitatively correspond with the observations from other seismically active regions (Fraser-Smith et al., 1990). The global decrease of EME activity correlating with the swarm activity decay was also observed. Due to the incomplete EME data and short observation time, these results are limited in reliability and are indicative only.

Description: One of the most general and effective models for calculating the complex electrical conductivity and relative dielectric permittivity of rocks saturated with pore fluids is that of Bussian. Unlike most models, it is non-linear and cannot be solved algebraically. Consequently, researchers use reiterating numerical routines to obtain a solution of the equation, and then only for the real part of the solution. Here we present a different approach to the solution that uses conformal mapping in the complex plane, and implements it within MapleTM. The method is simple and elegant in that it requires, for example, only 3 lines of code in MapleTM 11 and little programming experience. The approach has been shown to be as precise as using the classical reiterating bisection method for real data implemented in C++ on an ordinary desktop computer to within a probability over 1 in 109. However, the conformal mapping approach is 52 times as fast. We show once more that the Bussian equation breaks down for low fluid conductivities, but recommend it (with the modified Archie's law) for use with rocks saturated with high salinity fluids when the matrix is conductive.

Description: In 2008 the new Earth Gravitational Model (EGM2008) was released. It contains a complete set of spherical harmonic coefficients of the Earth's gravitational potential (Stokes parameters) to degree 2190 and order 2159 and selected orders to degree 2190, that can be used for evaluation of various potential quantities with both the unprecedented accuracy and high spatial resolution. Two such quantities, the gravity anomaly and second-order radial derivative of the disturbing potential, were computed over selected areas with known impact craters. The displays of these derivatives for two such sites clearly show not only the strong circular-like features known to be associated with them but also other symmetrical structures which appear to make them multiple impact sites. At Popigai, Siberia, the series of circular features fall in a line from the "primary crater" in the southeast (SE) direction. At Chicxulub, Yucatán, there appears to be one more crater close to the "primary" in the northeast (NE) direction, as well as possibly others in the vicinity of the main crater (SW). Gravity information alone is not, however, proof of impact craters but it is useful in identifying candidate sites for further study, for examination by geologists and geophysicists. In the case of Chicxulub, a very recent single seismic profile suggests that a more likely explanation for the observed circular like gravity signal from EGM2008 NE of the "primary" is a pre-impact basin.

Description: In the period from January to June 2000 Mt. Etna exhibited an exceptional explosive activity characterized by a succession of 64 Strombolian and fire-fountaining episodes from the summit South-East Crater. Textural analysis of the eruptive products reveals that the magma associated with the Strombolian phases had a much larger crystal content (〉55 vol%) with respect to the magma discharged during the fire-fountain phases (~35 vol%). Rheological modelling shows that the crystal-rich magma falls in a region beyond a critical crystal content where small addition of solid particles causes an exponential increase of the effective magma viscosity. When implemented into the modeling of steady magma ascent dynamics (as assumed for the fire-fountain activity), a large crystal content as the one found for products of Strombolian eruption phases results in a one order of magnitude decrease of mass flow-rate, and in the onset of conditions where small heterogeneities in the solid fraction carried by the magma translate into highly unsteady eruption dynamics. We argue that crystallization on top of the magmatic column during the intermediate phases when magma was not discharged favoured conditions corresponding to Strombolian activity, with fire-fountain activity resuming after removal of the highly crystalline top. The numerical simulations also provide a consistent interpretation of the association between fire-fountain activity and emergence of lava flows from the crater flanks.

Description: We present a revised estimate of Earth's surface heat flux that is based upon a heat flow data-set with 38 347 measurements, which is 55% more than used in previous estimates. Our methodology, like others, accounts for hydrothermal circulation in young oceanic crust by utilising a half-space cooling approximation. For the rest of Earth's surface, we estimate the average heat flow for different geologic domains as defined by global digital geology maps; and then produce the global estimate by multiplying it by the total global area of that geologic domain. The averaging is done on a polygon set which results from an intersection of a 1 degree equal area grid with the original geology polygons; this minimises the adverse influence of clustering. These operations and estimates are derived accurately using methodologies from Geographical Information Science. We consider the virtually un-sampled Antarctica separately and also make a small correction for hot-spots in young oceanic lithosphere. A range of analyses is presented. These, combined with statistical estimates of the error, provide a measure of robustness. Our final preferred estimate is 47±2 TW, which is greater than previous estimates.

Description: We propose the Chaotian Eon to demarcate geologic time from the origin of the Solar System to the Moon-forming impact on Earth. This separates the solar system wide processes of planet formation from the subsequent divergent evolution of the inner planets. We further propose the division of the Hadean Eon into eras and periods and naming the proto-Earth Tellus.

Description: Temporal variations of radon in the geological environment (upper crust) are frequent and recognized as unique in terms of the signals encountered and for the lack of substantial and generally applicable explanations. The phenomena observed at the Roded site, located in arid southern Israel, illustrate this situation. The monitoring of radon in the last 10 years or more has been carried out in massive meta-diorite of the Precambrian basement block of Roded. The measurement is conducted using an alpha detector at a resolution of 15-min, placed in a borehole at a depth of 9 m, within a PVC casing to that depth. Systematic temporal variation patterns, manifested as large relative signals are composed of sub-diurnal (SDR) radon, multi-day (MD) and annual (AR) signals. The overall variation is dominated by the intense SDR signals which occur in some days, and may vary from background levels (5 counts or less) to peak values (attaining 〉1000 counts) and back to background at an interval of 6 to 12 h. Intervals of up to several tens of days without significant SDR signals interchange with times of intense daily occurrences of such signals. Their occurrence indicates very fast variations of radiation from radon at the point of measurement. The peak times, within the diurnal 24-h cycle of SDR signals occur preferentially at an interval of 14–16 h (UT+2). Spectral analysis indicates: (a) A diurnal periodicity composed of a primary 24-h and a secondary 12-h periodicity, which are attributed to the solar tide constituents S1 and S2. Tidal constituents indicative for gravity tide (O1, M2) are lacking; (b) An annual periodicity. A compound relation among the diurnal and annual periodicity is indicated by: (a) Continuous Wavelet Transform (CWT) analysis shows an overall annual structure with a modulation of the S1 and S2 periodicities; (b) Moving-time-window Fourier spectral analysis showing that the amplitudes of S1 and S2 vary in an annual pattern, with relatively high values in summer. The phase of S1, S2 and S3 shows a systematic multi-year variation. It is suggested that the significant signatures of the periodic phenomena and their modulations reflect a direct link with the solar radiation tide.

Description: Simulations of climate over the Last Millennium (850–1850 CE) have been incorporated into the third phase of the Paleoclimate Modelling Intercomparison Project (PMIP3). The drivers of climate over this period are chiefly orbital, solar, volcanic, changes in land use/land cover and some variation in greenhouse gas levels. While some of these effects can be easily defined, the reconstructions of solar, volcanic and land use-related forcing are more uncertain. We describe here the approach taken in defining the scenarios used in PMIP3, document the forcing reconstructions and discuss likely implications.

Description: The pre-processor PREP-CHEM-SRC presented in the paper is a comprehensive tool aiming at preparing emissions fields of trace gases and aerosols for use in regional or global transport models. The emissions considered are urban/industrial, biogenic, biomass burning, volcanic, biofuel use and burning from agricultural waste sources from most recent databases or from satellite fire detections for biomass burning. A plumerise model is used to derive the height of smoke emissions from satellite fire products. The pre-processor provides emission fields interpolated onto the transport model grid. Several map projections can be chosen. The way to include these emissions in transport models is also detailed. The pre-processor is coded using Fortran 90 and C and is driven by a namelist allowing the user to choose the type of emissions and the database.

Description: We present a comprehensive description and benchmark evaluation of the tropospheric chemistry version of the global chemistry transport model TM5 (Tracer Model 5, version TM5-chem-v3.0). A full description is given concerning the photochemical mechanism, the interaction with aerosol, the treatment of the stratosphere, the wet and dry deposition parameterizations, and the applied emissions. We evaluate the model against a suite of ground-based, satellite, and aircraft measurements of components critical for understanding global photochemistry for the year 2006. The model exhibits a realistic oxidative capacity at a global scale. The methane lifetime is ~8.9 years with an associated lifetime of methyl chloroform of 5.86 years, which is similar to that derived using an optimized hydroxyl radical field. The seasonal cycle in observed carbon monoxide (CO) is well simulated at different regions across the globe. In the Northern Hemisphere CO concentrations are underestimated by about 20 ppbv in spring and 10 ppbv in summer, which is related to missing chemistry and underestimated emissions from higher hydrocarbons, as well as to uncertainties in the seasonal variation of CO emissions. The model also captures the spatial and seasonal variation in formaldehyde tropospheric columns as observed by SCIAMACHY. Positive model biases over the Amazon and eastern United States point to uncertainties in the isoprene emissions as well as its chemical breakdown. Simulated tropospheric nitrogen dioxide columns correspond well to observations from the Ozone Monitoring Instrument in terms of its seasonal and spatial variability (with a global spatial correlation coefficient of 0.89), but TM5 fields are lower by 25–40%. This is consistent with earlier studies pointing to a high bias of 0–30% in the OMI retrievals, but uncertainties in the emission inventories have probably also contributed to the discrepancy. TM5 tropospheric nitrogen dioxide profiles are in good agreement (within ~0.1 ppbv) with in situ aircraft observations from the INTEX-B campaign over (the Gulf of) Mexico. The model reproduces the spatial and seasonal variation in background surface ozone concentrations and tropospheric ozone profiles from the World Ozone and Ultraviolet Radiation Data Centre to within 10 ppbv, but at several tropical stations the model tends to underestimate ozone in the free troposphere. The presented model results benchmark the TM5 tropospheric chemistry version, which is currently in use in several international cooperation activities, and upon which future model improvements will take place.

Description: We present a revised tagging method, which describes the combined effect of emissions of various species from individual emission categories, e.g. the impact of both, nitrogen oxides and non-methane hydrocarbon emissions on ozone. This method is applied to two simplified chemistry schemes, which represent the main characteristics of atmospheric ozone chemistry. Analytical solutions are presented for this tagging approach. In the past, besides tagging approaches, sensitivity methods were used, which estimate the contributions from individual sources based on differences in two simulations, a base case and a simulation with a perturbation in the respective emission category. We apply both methods to our simplified chemical systems and demonstrate that potentially large errors (factor of 2) occur with the sensitivity method, which depend on the degree of linearity of the chemical system. For some chemical regimes this error can be minimised by employing only small perturbations of the respective emission, e.g. 5%. Since a complete tagging algorithm for global chemistry models is difficult to achieve, we present two error metrics, which can be applied for sensitivity methods in order to estimate the potential error of this approach for a specific application.

Description: The submodel PSC of the ECHAM5/MESSy Atmospheric Chemistry model (EMAC) has been developed to simulate the main types of polar stratospheric clouds (PSC). The parameterisation of the supercooled ternary solutions (STS, type 1b PSC) in the submodel is based on Carslaw et al. (1995b), the thermodynamical approach to simulate ice particles (type 2 PSC) on Marti and Mauersberger (1993). For the formation of nitric acid trihydrate (NAT) particles (type 1a PSC) two different parameterisations exist. The first one is based on an instantaneous thermodynamical approach from Hanson and Mauersberger (1988), the second one (new implemented by Kirner, 2008) considers the growth of the NAT particles with aid of a surface growth factor based on Carslaw et al. (2002). Via namelist switches the NAT parameterisation, as well as some parameters for the NAT and ice formation can be chosen. This publication explains the background of the submodel PSC and the use of the submodel with the goal to simulate realistic PSC in EMAC.

Description: A quasi chemistry-transport model mode (QCTM) is presented for the numerical chemistry-climate simulation system ECHAM/MESSy Atmospheric Chemistry (EMAC). It allows for a quantification of chemical signals through suppression of any feedback between chemistry and dynamics. Noise would otherwise interfere too strongly. The signal follows from the difference of two QCTM simulations, reference and sensitivity. These are fed with offline chemical fields as a substitute of the feedbacks between chemistry and dynamics: offline mixing ratios of radiatively active substances enter the radiation scheme (a), offline mixing ratios of nitric acid enter the scheme for re-partitioning and sedimentation from polar stratospheric clouds (b). Offline methane oxidation is the exclusive source of chemical water-vapor tendencies (c). Any set of offline fields suffices to suppress the feedbacks, though may be inconsistent with the simulation setup. An adequate set of offline climatologies can be produced from a non-QCTM simulation of the reference setup. Test simulations reveal the particular importance of adequate offline fields associated with (a). Inconsistencies from (b) are negligible when using adequate fields of nitric acid. Acceptably small inconsistencies come from (c), but should vanish for an adequate prescription of water vapor tendencies. Toggling between QCTM and non-QCTM is done via namelist switches and does not require a source code re-compilation.

Description: This paper describes a set of benchmark tests that is designed to quantify the performance of the land surface model that is used in the UK Hadley Centre General Circulation Model (JULES: Joint UK Land Environment Simulator). The tests are designed to assess the ability of the model to reproduce the observed fluxes of water and carbon at the global and regional spatial scale, and on a seasonal basis. Five datasets are used to test the model: water and carbon dioxide fluxes from ten FLUXNET sites covering the major global biomes, atmospheric carbon dioxide concentrations at four representative stations from the global network, river flow from seven catchments, the seasonal mean NDVI over the seven catchments and the potential land cover of the globe (after the estimated anthropogenic changes have been removed). The model is run in various configurations and results are compared with the data. The results show that combined use of observations of carbon and water fluxes is essential in order to understand the causes of model errors. The benchmarking approach is suitable for application to other global models.

Description: The current version of the Dutch Atmospheric Large-Eddy Simulation (DALES) model is presented. DALES is a large-eddy simulation model designed for process studies of the atmospheric boundary layer, including convective and stable boundary layers as well as cloudy boundary layers. In addition, DALES can be used for studies of more specific cases, such as flow over sloping or heterogeneous terrain, and dispersion of inert and chemically active species. This paper contains an extensive description of the physical and numerical formulation of the code, and gives an overview of its applications and accomplishments in recent years.

Description: An offline linkage between two advanced multi-pollutant air quality and watershed models is presented. The models linked are (1) the Advanced Modeling System for Transport, Emissions, Reactions and Deposition of Atmospheric Matter (AMSTERDAM) (a three-dimensional Eulerian plume-in-grid model derived from the Community Multiscale Air Quality (CMAQ) model) and (2) the Watershed Analysis Risk Management Framework (WARMF). The pollutants linked include gaseous and particulate nitrogen, sulfur and mercury compounds. The linkage may also be used to obtain meteorological fields such as precipitation and air temperature required by WARMF from the outputs of the meteorology chemistry interface processor (MCIP) that processes meteorology simulated by the fifth generation Mesoscale Model (MM5) or the Weather Research and Forecast (WRF) model for input to AMSTERDAM. The linkage is tested in the Catawba River basin of North and South Carolina for ammonium, nitrate and sulfate. Modeled air quality and meteorological fields transferred by the linkage can supplement the conventional measurements used to drive WARMF and may be used to help predict the impact of changes in atmospheric emissions on water quality.

Description: We present a new, non-flux corrected AOGCM, GENMOM, that combines the GENESIS version 3 atmospheric GCM (Global ENvironmental and Ecological Simulation of Interactive Systems) and MOM2 (Modular Ocean Model version 2). We evaluate GENMOM by comparison with reanalysis products (e.g., NCEP2) and eight models used in the IPCC AR4 assessment. The overall present-day climate simulated by GENMOM is on par with the models used in IPCC AR4. The model produces a global temperature bias of 0.6 °C. Atmospheric features such as the jet stream structure and major semi-permanent sea level pressure centers are well simulated as is the mean planetary-scale wind structure that is needed to produce the correct position of stormtracks. The gradients and spatial distributions of annual surface temperature compare well both to observations and to the IPCC AR4 models. A warm bias of ~2 °C is simulated by MOM between 200–1000 m in the ocean. Most ocean surface currents are reproduced except where they are not resolved well by the T31 resolution. The two main weaknesses in the simulations is the development of a split ITCZ and weaker-than-observed overturning circulation.

Description: Chemical data assimilation attempts to optimally use noisy observations along with imperfect model predictions to produce a better estimate of the chemical state of the atmosphere. It is widely accepted that a key ingredient for successful data assimilation is a realistic estimation of the background error distribution. Particularly important is the specification of the background error covariance matrix, which contains information about the magnitude of the background errors and about their correlations. Most models currently use diagonal background covariance matrices. As models evolve toward finer resolutions, the diagonal background covariance matrices become increasingly inaccurate, since they captures less of the spatial error correlations. This paper discusses an efficient computational procedure for constructing non-diagonal background error covariance matrices which account for the spatial correlations of errors. The benefits of using the non-diagonal covariance matrices for variational data assimilation with chemical transport models are illustrated.

Description: We present a computationally efficient modelling system, IMOGEN, designed to undertake global and regional assessment of climate change impacts on the physical and biogeochemical behaviour of the land surface. A pattern-scaling approach to climate change drives a gridded land surface and vegetation model MOSES/TRIFFID. The structure allows extrapolation of General Circulation Model (GCM) simulations to different future pathways of greenhouse gases, including rapid first-order assessments of how the land surface and associated biogeochemical cycles might change. Evaluation of how new terrestrial process understanding influences such predictions can also be made with relative ease.

Description: The process of formation of cloud droplets on an ensemble of aerosol particles is modelled by numerous investigators using the method of lines (MOL). The method involves discretization of the aerosol size spectrum into bins whose position and width evolve with time. One of the drawbacks of the method is its poor representation of the aerosol spectrum shape in the region between the unactivated aerosol mode and the activated cloud-droplet mode. An adaptive spectrum refinement procedure that improves the performance of the method is introduced and tested. A model of drop formation on multi-component aerosol is formulated for the purpose of the study. Model formulation includes explicit treatment of the drop temperature evolution. Several examples of the model set-up are used to demonstrate model capabilities. Model results are compared to those without adaptivity, and are compared to the Twomey's formul\ae. A C++ implementation of the model is available as an electronic supplement of the paper.

Description: A long standing problem in paleoceanography concerns the reconstruction of water temperature from δ18O carbonate, which for freshwater influenced environments is hindered because the isotopic composition of the ambient water (related to salinity) affects the reconstructed temperature. In this paper we argue for the use of a nonlinear multi-proxy method called Weight Determination by Manifold Regularization to develop a temperature reconstruction model that is less sensitive to salinity variations. The motivation for using this type of model is twofold: Firstly, observed nonlinear relations between specific proxies and water temperature motivate the use of nonlinear models. Secondly, the use of multi-proxy models enables salinity related variations of a given temperature proxy to be explained by salinity-related information carried by a separate proxy. Our findings confirm that Mg/Ca is a powerful paleothermometer and highlight that reconstruction performance based on this proxy is improved significantly by combining its information with the information of other trace elements in multi-proxy models. Using Mg/Ca, Sr/Ca, Ba/Ca and Pb/Ca the WDMR model enabled a temperature reconstruction with a root mean squared error of ±2.19 °C for a salinity range between 15 and 32.

Description: The need to better understand long-term climate/ice sheet feedback loops is motivating efforts to couple ice sheet models into Earth System models which are capable of long-timescale simulations. In this paper we describe a coupled model, that consists of the University of Victoria Earth System Climate Model (UVic ESCM) and the Pennsylvania State University Ice model (PSUI). The climate model generates a surface mass balance (SMB) field via a sub-gridded surface energy/moisture balance model that resolves narrow ice sheet ablation zones. The ice model returns revised elevation, surface albedo and ice area fields, plus coastal fluxes of heat and moisture. An arbitrary number of ice sheets can be simulated, each on their own high-resolution grid and each capable of synchronous or asynchronous coupling with the overlying climate model. The model is designed to conserve global heat and moisture. In the process of improving model performance we developed a procedure to account for modelled surface air temperature (SAT) biases within the energy/moisture balance surface model and improved the UVic ESCM snow surface scheme through addition of variable albedos and refreezing over the ice sheet. A number of simulations for late Holocene, Last Glacial Maximum (LGM), and Eemian climate boundary conditions were carried out to explore the sensitivity of the coupled model and identify model configurations that best represented these climate states. The modelled SAT bias was found to play a significant role in long-term ice sheet evolution, as was the effect of refreezing meltwater and surface albedo. The bias-corrected model was able to reasonably capture important aspects of the Antarctic and Greenland ice sheets, including modern SMB and ice distribution. The simulated northern Greenland ice sheet was found to be prone to ice margin retreat at radiative forcings corresponding closely to those of the Eemian or the present-day.

Description: Dissolved surface active species, or surfactants, have a tendency to partition to solution surface and thereby decrease solution surface tension. Activating cloud droplets have large surface-to-volume ratios, and the amount of surfactant molecules in them is limited. Therefore, unlike with macroscopic solutions, partitioning to the surface can effectively deplete the droplet interior of surfactant molecules. Surfactant partitioning equilibrium for activating cloud droplets can be solved numerically from a group of equations. This can be a problem when surfactant effects are examined by using large-scale cloud models. Namely, computing time increases significantly due to the partitioning calculations done in the lowest levels of nested iterations. The purpose of this paper is to present analytical equations for surfactant partitioning equilibrium. Some simplifications are needed in deriving the equations, but the numerical errors caused by the simplifications are shown to be very minor. In addition, computing time is decreased roughly by an order of magnitude.

Description: Vertical profiles of CO taken from the MOZAIC aircraft database are used to present (1) a global analysis of CO seasonal averages and interannual variability for the years 2002–2007 and (2) a global validation of CO estimates produced by the MACC models for 2004, including an assessment of their ability to transport pollutants originating from the Alaskan/Canadian wildfires. Seasonal averages and interannual variability from several MOZAIC sites representing different regions of the world show that CO concentrations are highest and most variable during the winter season. The inter-regional variability is significant with concentrations increasing eastward from Europe to Japan. The impact of the intense boreal fires, particularly in Russia, during the fall of 2002 on the Northern Hemisphere CO concentrations throughout the troposphere is well represented by the MOZAIC data. A global validation of the GEMS/MACC GRG models which include three stand-alone CTMs (MOZART, MOCAGE and TM5) and the coupled ECMWF Integrated Forecasting System (IFS)/MOZART model with and without MOPITT CO data assimilation show that the models have a tendency to underestimate CO. The models perform best in Europe and the US where biases range from 0 to –25% in the free troposphere and from 0 to –50% in the surface and boundary layers (BL). The biases are largest in the winter and during the daytime when emissions are highest, indicating that current inventories are too low. Data assimilation is shown to reduce biases by up to 25% in some regions. The models are not able to reproduce well the CO plumes originating from the Alaskan/Canadian wildfires at downwind locations in the eastern US and Europe, not even with assimilation. Sensitivity tests reveal that this is mainly due to deficiencies in the fire emissions inventory and injection height.

Description: By combining the strong points of general circulation models (GCMs), which contain detailed and complex processes, and Earth system models of intermediate complexity (EMICs), which are quick and capable of large ensembles, we have developed a loosely coupled model (LCM) which can represent the outputs of a GCM-based Earth system model using much smaller computational resources. We address the problem of relatively poor representation of precipitation within our EMIC, which prevents us from directly coupling it to a vegetation model, by coupling it to a precomputed transient simulation using a full GCM. The LCM consists of three components: an EMIC (MIROC-lite) which consists of a 2-D energy balance atmosphere coupled to a low resolution 3-D GCM ocean including an ocean carbon cycle; a state of the art vegetation model (Sim-CYCLE); and a database of daily temperature, precipitation, and other necessary climatic fields to drive Sim-CYCLE from a precomputed transient simulation from a state of the art AOGCM. The transient warming of the climate system is calculated from MIROC-lite, with the global temperature anomaly used to select the most appropriate annual climatic field from the pre-computed AOGCM simulation which, in this case, is a 1% pa increasing CO2 concentration scenario. By adjusting the climate sensitivity of MIROC-lite, the transient warming of the LCM could be adjusted to closely follow the low sensitivity (4.0 K) version of MIROC3.2. By tuning of the physical and biogeochemical parameters it was possible to reasonably reproduce the bulk physical and biogeochemical properties of previously published CO2 stabilisation scenarios for that model. As an example of an application of the LCM, the behavior of the high sensitivity version of MIROC3.2 (with 6.3 K climate sensitivity) is also demonstrated. Given the highly tunable nature of the model, we believe that the LCM should be a very useful tool for studying uncertainty in global climate change.

Description: This paper describes the development of a technically robust climate modelling system, HadGEM3, which couples the Met Office Unified Model atmosphere component, the NEMO ocean model and the Los Alamos sea ice model (CICE) using the OASIS coupler. Details of the coupling and technical solutions are documented in the paper in addition to a description of the configurations of the individual submodels. The paper demonstrates that the implementation of the model has resulted in accurate conservation of heat and freshwater across the model components. The model performance in early versions of this climate model is briefly described to demonstrate that the results are scientifically credible. HadGEM3 is the basis for a number of modelling efforts outside of the Met Office, both within the UK and internationally. This documentation of the HadGEM3 system provides a detailed reference for developers of HadGEM3-based climate configurations.

Description: This article presents an approach for creating anthropogenic emission scenarios that can be used to simulate future regional air quality. The approach focuses on energy production and use since these are principal sources of air pollution. We use the MARKAL model to characterize alternative realizations of the US energy system through 2050. Emission growth factors are calculated for major energy system categories using MARKAL, while growth factors from non-energy sectors are based on economic and population projections. The SMOKE model uses these factors to grow a base-year 2002 inventory to future years through 2050. The approach is demonstrated for two emission scenarios: Scenario 1 extends current air regulations through 2050, while Scenario 2 applies a hypothetical policy that limits carbon dioxide (CO2) emissions from the energy system. Although both scenarios show significant reductions in air pollutant emissions through time, these reductions are more pronounced in Scenario 2, where the CO2 policy results in the adoption of technologies with lower emissions of both CO2 and traditional air pollutants. The methodology is expected to play an important role in investigations of linkages among emission drivers, climate and air quality by the U.S. EPA and others.

Description: The ongoing, anthropogenically-driven changes to the global ocean are expected to have significant consequences for plankton ecosystems in the future. Because of the role that plankton play in the ocean's "biological pump", changes in abundance, distribution and productivity will likely have additional consequences for the wider carbon cycle. Just as in the terrestrial biosphere, marine ecosystems exhibit marked diversity in species and functional types of organisms. Predicting potential change in plankton ecosystems therefore requires the use of models that are suited to this diversity, but whose parameterisation also permits robust and realistic functional behaviour. In the past decade, advances in model sophistication have attempted to address diversity, but have been criticised for doing so inaccurately or ahead of a requisite understanding of underlying processes. Here we introduce MEDUSA (Model of Ecosystem Dynamics, nutrient Utilisation, Sequestration and Acidification), a new "intermediate complexity" plankton ecosystem model that expands on traditional nutrient-phytoplankton-zooplankton-detritus (NPZD) models, and remains amenable to global-scale evaluation. MEDUSA includes the biogeochemical cycles of nitrogen, silicon and iron, broadly structured into "small" and "large" plankton size classes, of which the "large" phytoplankton class is representative of a key phytoplankton group, the diatoms. A full description of MEDUSA's state variables, differential equations, functional forms and parameter values is included, with particular attention focused on the submodel describing the export of organic carbon from the surface to the deep ocean. MEDUSA is used here in a multi-decadal hindcast simulation, and its biogeochemical performance evaluated at the global scale.

Description: The Modular Earth Submodel System (MESSy) is an open, multi-institutional project providing a strategy for developing comprehensive Earth System Models (ESMs) with highly flexible complexity. The first version of the MESSy infrastructure and process submodels, mainly focusing on atmospheric chemistry, has been successfully coupled to an atmospheric General Circulation Model (GCM) expanding it into an Atmospheric Chemistry GCM (AC-GCM) for nudged simulations and into a Chemistry Climate Model (CCM) for climate simulations. Here, we present the second development cycle of MESSy, which comprises (1) an improved and extended infrastructure for the basemodel independent coupling of process-submodels, (2) new, highly valuable diagnostic capabilities for the evaluation with observational data and (3) an improved atmospheric chemistry setup. With the infrastructural changes, we place the headstone for further model extensions from a CCM towards a comprehensive ESM. The new diagnostic submodels will be used for regular re-evaluations of the continuously further developing model system. The updates of the chemistry setup are briefly evaluated.

Description: The Fire INventory from NCAR version 1.0 (FINNv1) provides daily, 1 km resolution, global estimates of the trace gas and particle emissions from open burning of biomass, which includes wildfire, agricultural fires, and prescribed burning and does not include biofuel use and trash burning. Emission factors used in the calculations have been updated with recent data, particularly for the non-methane organic compounds (NMOC). The resulting global annual NMOC emission estimates are as much as a factor of 5 greater than some prior estimates. Chemical speciation profiles, necessary to allocate the total NMOC emission estimates to lumped species for use by chemical transport models, are provided for three widely used chemical mechanisms: SAPRC99, GEOS-CHEM, and MOZART-4. Using these profiles, FINNv1 also provides global estimates of key organic compounds, including formaldehyde and methanol. The uncertainty in the FINNv1 emission estimates are about a factor of two; but, the estimates agree closely with other global inventories of biomass burning emissions for CO, CO2, and other species with less variable emission factors. FINNv1 emission estimates have been developed specifically for modeling atmospheric chemistry and air quality in a consistent framework at scales from local to global. The product is unique because of the high temporal and spatial resolution, global coverage, and the number of species estimated. FINNv1 can be used for both hindcast and forecast or near-real time model applications and the results are being critically evaluated with models and observations whenever possible.

Description: Various semi-Lagrangian methods are tested with respect to advection in air pollution modeling. The aim is to find a method fulfilling as many of the desirable properties by Rasch and Williamson (1990) and Machenhauer et al. (2008) as possible. The focus in this study is on accuracy and local mass conservation. The methods tested are, first, classical semi-Lagrangian cubic interpolation, see e.g. Durran (1999), second, semi-Lagrangian cubic cascade interpolation, by Nair et al. (2002), third, semi-Lagrangian cubic interpolation with the modified interpolation weights, Locally Mass Conserving Semi-Lagrangian (LMCSL), by Kaas (2008), and last, semi-Lagrangian cubic interpolation with a locally mass conserving monotonic filter byKaas and Nielsen (2009). Semi-Lagrangian (SL) interpolation is a classical method for atmospheric modeling, cascade interpolation is more efficient computationally, modified interpolation weights assure mass conservation and the locally mass conserving monotonic filter imposes monotonicity. All schemes are tested with advection alone or with advection and chemistry together under both typical rural and urban conditions using different temporal and spatial resolution. The methods are compared with a current state-of-the-art scheme, Accurate Space Derivatives (ASD), see Frohn et al. (2002), presently used at the National Environmental Research Institute (NERI) in Denmark. To enable a consistent comparison only non-divergent flow configurations are tested. The test cases are based either on the traditional slotted cylinder or the rotating cone, where the schemes' ability to model both steep gradients and slopes are challenged. The tests showed that the locally mass conserving monotonic filter improved the results significantly for some of the test cases, however, not for all. It was found that the semi-Lagrangian schemes, in almost every case, were not able to outperform the current ASD scheme used in DEHM with respect to accuracy.

Description: This paper examines the operational performance of the Community Multiscale Air Quality (CMAQ) model simulations for 2002–2006 using both 36-km and 12-km horizontal grid spacing with a primary focus on the performance of the CMAQ model in predicting wet deposition of sulfate (SO4=), ammonium (NH4+) and nitrate (NO3−). Performance of the wet deposition species is determined by comparing CMAQ predicted concentrations to concentrations measured by the National Acid Deposition Program (NADP), specifically the National Trends Network (NTN). For SO4= wet deposition, the CMAQ model estimates were generally comparable between the 36-km and 12-km simulations for the eastern US, with the 12-km simulation giving slightly higher estimates of SO4= wet deposition than the 36-km simulation on average. The normalized mean bias (NMB) was slightly higher for the 12-km simulation, however, both simulations had annual biases that were less than ±15% for each of the five years. The model estimated SO4= wet deposition values improved when they were adjusted to account for biases in the model estimated precipitation. The CMAQ model underestimates NH4+ wet deposition over the eastern US using both the 36-km and 12-km horizontal grid spacing, with a slightly larger underestimation in the 36-km simulation. The largest underestimations occur during the winter and spring periods, while the summer and fall have slightly smaller underestimations of NH4+ wet deposition. Annually, the NMB generally ranges between −10% and −16% for the 12-km simulation and −12% to −18% for the 36-km simulation over the five-year period for the eastern US. The underestimation in NH4+ wet deposition is likely due, in part, to the poor temporal and spatial representation of ammonia (NH3) emissions, particularly those emissions associated with fertilizer applications and NH3 bi-directional exchange. The model performance for estimates of NO3− wet deposition are mixed throughout the year, with the model largely underestimating NO3− wet deposition in the spring and summer in the eastern US, while the model has a relatively small bias in the fall and winter. Model estimates of NO3− wet deposition tend to be slightly lower for the 36-km simulation as compared to the 12-km simulation, particularly in the spring. Annually for the eastern US, the NMB ranges from roughly −12% to −20% for the 12-km simulation and −18% to −26% for the 36-km simulation. The underestimation of NO3− wet deposition in the spring and summer is due, in part, to a lack of lightning generated NO emissions in the upper troposphere, which can be a large source of NO in the spring and summer when lightning activity is the high. CMAQ model simulations that include the production of NO from lightning show a significant improvement in the NO3− wet deposition estimates in the eastern US in the summer. Model performance for the western US was generally not as good as that for the eastern US for all three wet deposition species.

Description: Verification and validation are crucially important for the final users of a computational model: code is useless if its results cannot be relied upon. Typically, undergoing these processes is seen as a discrete event, performed once and for all after development is complete. However, this does not reflect the reality that many geoscientific codes undergo continuous development of the mathematical model, discretisation and software implementation. Therefore, we advocate that in such cases verification and validation must be continuous and happen in parallel with development. The desirability of their automation follows immediately. This paper discusses a framework for automated continuous verification and validation of wide applicability to any kind of numerical simulation. It also documents a range of rigorous test cases for use in computational and geophysical fluid dynamics.

Description: This study assesses the advantages of using a coupled atmospheric-tracer transport model, comprising a global Eulerian model and a global Lagrangian particle dispersion model, for reproducibility of tracer gas variation affected by near field around observation sites. The ability to resolve variability in atmospheric composition on an hourly time scale and a spatial scale of several kilometers would be beneficial for analyzing data from continuous ground-based monitoring and upcoming space-based observations. The coupled model yields increased horizontal resolution of transport and fluxes, and has been tested in regional-scale studies of atmospheric chemistry. By applying the Lagrangian component to the global domain, we extend this approach to the global scale, thereby enabling global inverse modeling and data assimilation. To validate the coupled model, we compare model-simulated CO2 concentrations with continuous observations at two sites operated by the National Oceanic and Atmospheric Administration, USA and one site operated by National Institute for Environmental Studies, Japan. As the purpose of this study is limited to demonstration of the new modeling approach, we select a small subset of 3 sites to highlight use of the model in various geographical areas. To explore the capability of the coupled model in simulating synoptic-scale meteorological phenomena, we calculate the correlation coefficients and variance ratios between deseasonalized model-simulated and observed CO2 concentrations. Compared with the Eulerian model alone, the coupled model yields improved agreement between modeled and observed CO2 concentrations.

Description: In this paper we investigate results from a middle-atmosphere aerosol-climate model which has been developed to study the evolution of stratospheric aerosols. Here we focus on the stratospheric background period and evaluate several key quantities of the global dispersion of stratospheric aerosols and their precursors with observations and other model studies. It is shown that the model fairly well reproduces in situ observations of the aerosol size and number concentrations in the upper troposphere and lower stratosphere (UT/LS). Compared to measurements from the limb-sounding SAGE II satellite instrument, modelled integrated aerosol quantities are more biased the lower the moment of the aerosol population. Both findings are consistent with earlier work analysing the quality of SAGE II retrieved e.g. aerosol surface area densities from the volcanically unperturbed stratosphere (SPARC/ASAP, 2006; Thomason et al., 2008; Wurl et al., 2010). The model suggests that new particles are formed over large areas of the LS, albeit nucleation rates in the upper troposphere are at least one order of magnitude larger than those in the stratosphere. Hence, we suggest that both tropospheric sulphate aerosols and particles formed in situ in the LS are maintaining the stability of the stratospheric aerosol layer also in the absence of direct stratospheric emissions from volcanoes. Particle size distributions are clearly bimodal, except in the upper branches of the stratospheric aerosol layer where aerosols evaporate. Modelled concentrations of condensation nuclei (CN) are lesser than measured in regions of the aerosol layer where aerosol mixing ratios are largest, due to an overpredicted particle growth by coagulation. Transport regimes of tropical stratospheric aerosol have been identified from modelled aerosol mixing ratios and correspond to those deduced from satellite extinction measurements. We found that convective updraft in the Asian Monsoon region significantly contributes to both stratospheric aerosol load and size. The timing of formation and descend of layers of fine mode particles in the winter and spring polar stratosphere (CN layer) are reproduced by the model. Far above the tropopause where nucleation is inhibited due to with height increasing stratospheric temperatures, planetary wave mixing transports significant amounts of fine mode particles from the polar stratosphere to mid-latitudes. In those regions enhanced condensation rates of sulphuric acid vapour counteracts the evaporation of aerosols, hence prolonging the aerosol lifetime in the upper branches of the stratospheric aerosol layer. Measurements of the aerosol precursors SO2 and sulphuric acid vapour are fairly well reproduced by the model throughout the stratosphere.

Description: This paper describes the spreadsheet-based point energy balance model ESCIMO.spread which simulates the energy and mass balance as well as melt rates of a snow surface. The model makes use of hourly recordings of temperature, precipitation, wind speed, relative humidity, global and longwave radiation. The effect of potential climate change on the seasonal evolution of the snow cover can be estimated by modifying the time series of observed temperature and precipitation by means of adjustable parameters. Model output is graphically visualized in hourly and daily diagrams. The results compare well with weekly measured snow water equivalent (SWE). The model is easily portable and adjustable, and runs particularly fast: hourly calculation of a one winter season is instantaneous on a standard computer. ESICMO.spread can be obtained from the authors on request (contact: ulrich.strasser@uni-graz.at).

Description: The US EPA regional emission model SMOKE was adopted and modified to create temporally and spatially distributed emission for Europe and surrounding countries based on official reports and public domain data only. The aim is to develop a flexible model capable of creating consistent high resolution emission data for long-term runs of Chemical Transport Models (CTM). This modified version of SMOKE, called SMOKE for EUROPE (SMOKE-EU) was successfully used to create hourly gridded emissions for the timespan 1970–2010. In this paper the SMOKE-EU model and the underlying European datasets are introduced. Emission data created by SMOKE-EU for the year 2000 are evaluated by comparison to data of three different state of the art emission models. Differences of SMOKE-EU to those models were in the same range as the differences amongst them. Further, concentrations of criteria pollutants calculated by the CTM CMAQ using the four different emission datasets were compared against EMEP measurements with hourly and daily resolution. Using SMOKE-EU emissions O3, NO2 and SO4 could be modelled most reliably. The amount of simulated concentrations within a factor of 2 (F2) of the observations for these species are: O3 (F2=0.79 N=329 197), NO2 (F2=0.55 N=11 465), and SO4 (F2=0.62 N=17 536). The lowest values were found for NH4 (F2=0.34 N=7400) and NO3 (F2=0.25 N=6184). NH4 concentrations were generally overestimated, leading to a fractional bias (FB) averaged over 22 measurement stations of (FB=0.83±0.41) while better agreements with observations were found for SO4 (FB=0.06±0.38, 51 stations) and NO3 (FB=0.13±0.75, 18 stations). CMAQ simulations using the three other emission datasets were similar to those modelled using SMOKE-EU emissions. Highest differences where found for NH4 while O3 concentrations were almost identical. The results of this comparison confirm that it is adequate to use emissions created by SMOKE-EU as input for CTMs.

Description: We present a new aerosol microphysics and gas aerosol partitioning submodel (Global Modal-aerosol eXtension, GMXe) implemented within the ECHAM/MESSy Atmospheric Chemistry model (EMAC, version 1.8). The submodel is computationally efficient and is suitable for medium to long term simulations with global and regional models. The aerosol size distribution is treated using 7 log-normal modes and has the same microphysical core as the M7 submodel (Vignati et al., 2004). The main developments in this work are: (i) the extension of the aerosol emission routines and the M7 microphysics, so that an increased (and variable) number of aerosol species can be treated (new species include sodium and chloride, and potentially magnesium, calcium, and potassium), (ii) the coupling of the aerosol microphysics to a choice of treatments of gas/aerosol partitioning to allow the treatment of semi-volatile aerosol, and, (iii) the implementation and evaluation of the developed submodel within the EMAC model of atmospheric chemistry. Simulated concentrations of black carbon, particulate organic matter, dust, sea spray, sulfate and ammonium aerosol are shown to be in good agreement with observations (for all species at least 40% of modeled values are within a factor of 2 of the observations). The distribution of nitrate aerosol is compared to observations in both clean and polluted regions. Concentrations in polluted continental regions are simulated quite well, but there is a general tendency to overestimate nitrate, particularly in coastal regions (geometric mean of modelled values/geometric mean of observed data ≈2). In all regions considered more than 40% of nitrate concentrations are within a factor of two of the observations. Marine nitrate concentrations are well captured with 96% of modeled values within a factor of 2 of the observations.

Description: We present a new version of the coupled Earth system model GEOCLIM. The new release, GEOCLIM reloaded, links the existing atmosphere and weathering modules to a novel, temporally and spatially resolved model of the global ocean circulation, which provides a physical framework for a mechanistic description of the marine biogeochemical dynamics of carbon, nitrogen, phosphorus and oxygen. The ocean model is also coupled to a fully formulated, vertically resolved diagenetic model. GEOCLIM reloaded is thus a unique tool to investigate the short- and long-term feedbacks between climatic conditions, continental inputs, ocean biogeochemical dynamics and diagenesis. A complete and detailed description of the resulting Earth system model and its new features is first provided. The performance of GEOCLIM reloaded is then evaluated by comparing steady-state simulation under present-day conditions with a comprehensive set of oceanic data and existing global estimates of bio-element cycling in the pelagic and benthic compartments.

Description: The need to perform long-term simulations with reasonable accuracy has led to the development of mass-conservative and efficient numerical methods for solving the transport equation in forward and inverse models. We designed and implemented a flux-form (Eulerian) tracer transport algorithm in the National Institute for Environmental Studies Transport Model (NIES TM), which is used for simulating diurnal and synoptic-scale variations of tropospheric long-lived constituents, as well as their seasonal and inter-annual variability. Implementation of the flux-form method requires the mass conservative wind fields. However, the model is off-line and is driven by datasets from a global atmospheric model or data assimilation system, in which vertically integrated mass changes are not in balance with the surface pressure tendency and mass conservation is not achieved. To rectify the mass-imbalance, a flux-correction method is employed. To avoid singularity near the poles caused by the small grid size arising from the meridional convergence problem, the proposed model uses a reduced latitude-longitude grid scheme, in which the grid size is doubled several times approaching the poles. This approach overcomes the Courant condition in the Polar Regions, maintains a reasonably high integration time-step and ensures adequate model performance during simulations. To assess the model performance, we performed global transport simulations for SF6, 222Rn and CO2. The results were compared with observations available from the World Data Centre for Greenhouse Gases, GLOBALVIEW and the Hateruma monitoring station, Japan. Overall, the results show that the proposed flux-form version of NIES TM can produce tropospheric tracer transport more realistically than previously possible. The reasons for this improvement are discussed.

Description: A size-resolved particle dry deposition scheme is developed, which has been designed for inclusion in large-scale air quality and climate models, where the size distribution and fate of the atmospheric aerosol is of concern. The "resistance" structure is similar to what is proposed by Zhang et al. (2001, 2003), while a new "surface" deposition velocity (or surface resistance) is derived by simplification of a one-dimensional aerosol transport model (Petroff et al., 2008b, 2009). Collection efficiencies are given for the 26 Land Use Categories that decribe the earth surface. Validation of this model with existing measurements is performed on desert, grass, coniferous forest and liquid water surfaces. A comparison of this model with measurements on snow and ice is also given. Even though a qualitative agreement is reached, further size-segegated measurements are needed in order to confirm the model accuracy on this surface. The present analytical model provides more accurate predictions of the aerosol deposition on these surfaces than previous models.

Description: Measurements of aerosol size-distribution and different gas and meteorological parameters, made in three polluted sites in Central- and Southern Europe: Po Valley, Italy, Melpitz and Hohenpeissenberg in Germany, were analysed for this study to examine which of the meteorological and trace gas variables affect the number concentration of Aitken (Dp=50 nm) particles. The aim of our study was to predict the number concentration of 50 nm particles by a combination of in-situ meteorological and gas phase parameters. The statistical model needs to describe, amongst others, the factors affecting the growth of newly formed aerosol particles (below 10 nm) to 50 nm size, but also sources of direct particle emissions in that size range. As the analysis method we used multivariate nonlinear mixed effects model. Hourly averages of gas and meteorological parameters measured at the stations were used as predictor variables; the best predictive model was attained with a combination of relative humidity, new particle formation event probability, temperature, condensation sink and concentrations of SO2, NO2 and ozone. The seasonal variation was also taken into account in the mixed model structure. Model simulations with the Global Model of Aerosol Processes (GLOMAP) indicate that the parameterization can be used as a part of a larger atmospheric model to predict the concentration of climatically active particles. As an additional benefit, the introduced model framework is, in theory, applicable for any kind of measured aerosol parameter.

Description: Obtaining a good description of aerosol optical properties for a physically and chemically complex evolving aerosol is computationally very expensive at present. The goal of this work is to propose a new numerical module computing the optical properties for complex aerosol particles at low numerical cost so that it can be implemented in atmospheric models. This method aims to compute the optical properties online as a function of a given complex refractive index deduced from the aerosol chemical composition and the size parameters corresponding to the particles. The construction of look-up tables from the imaginary and the real part of the complex refractive index and size parameters will also be explained. This approach is validated for observations acquired during the EUCAARI campaign on the Cabauw tower during May 2008 and its computing cost is also estimated. These comparisons show that the module manages to reproduce the scattering and absorbing behaviour of the aerosol during most of the fifteen-day period of observation with a very cheap computationally cost.

Description: Ideally, a validation and assimilation scheme should maintain the physical principles embodied in the model and be able to evaluate and assimilate lower dimensional features (e.g., discontinuities) contained within a bulk simulation, even when these features are not directly observed or represented by model variables. We present such a scheme and suggest its potential to resolve or alleviate some outstanding problems that stem from making and applying required, yet often non-physical, assumptions and procedures in common operational data assimilation. As proof of concept, we use a sea-ice model with remotely sensed observations of leads in a one-step assimilation cycle. Using the new scheme in a sixteen day simulation experiment introduces model skill (against persistence) several days earlier than in the control run, improves the overall model skill and delays its drop off at later stages of the simulation. The potential and requirements to extend this scheme to different applications, and to both empirical and statistical multivariate and full cycle data assimilation schemes, are discussed.

Description: A new version of the Global Model of Aerosol Processes (GLOMAP) is described, which uses a two-moment modal aerosol scheme rather than the original two-moment bin scheme. GLOMAP-mode simulates the multi-component global aerosol, resolving sulphate, sea-salt, dust, black carbon (BC) and particulate organic matter (POM), the latter including primary and biogenic secondary POM. Aerosol processes are simulated in a size-resolved manner including primary emissions, secondary particle formation by binary homogeneous nucleation of sulphuric acid and water, particle growth by coagulation, condensation and cloud-processing and removal by dry deposition, in-cloud and below-cloud scavenging. A series of benchmark observational datasets are assembled against which the skill of the model is assessed in terms of normalised mean bias (b) and correlation coefficient (R). Overall, the model performs well against the datasets in simulating concentrations of aerosol precursor gases, chemically speciated particle mass, condensation nuclei (CN) and cloud condensation nuclei (CCN). Surface sulphate, sea-salt and dust mass concentrations are all captured well, while BC and POM are biased low (but correlate well). Surface CN concentrations compare reasonably well in free troposphere and marine sites, but are underestimated at continental and coastal sites related to underestimation of either primary particle emissions or new particle formation. The model compares well against a compilation of CCN observations covering a range of environments and against vertical profiles of size-resolved particle concentrations over Europe. The simulated global burden, lifetime and wet removal of each of the simulated aerosol components is also examined and each lies close to multi-model medians from the AEROCOM model intercomparison exercise.

Description: The use of global three-dimensional (3-D) models with satellite observations of CO2 in inverse modeling studies is an area of growing importance for understanding Earth's carbon cycle. Here we use the GEOS-Chem model (version 8-02-01) CO2 simulation with multiple modifications in order to assess their impact on CO2 forward simulations. Modifications include CO2 surface emissions from shipping (~0.19 Pg C/yr), 3-D spatially-distributed emissions from aviation (~0.16 Pg C/yr), and 3-D chemical production of CO2 (~1.05 Pg C/yr). Although CO2 chemical production from the oxidation of CO, CH4 and other carbon gases is recognized as an important contribution to global CO2, it is typically accounted for by conversion from its precursors at the surface rather than in the free troposphere. We base our model 3-D spatial distribution of CO2 chemical production on monthly-averaged loss rates of CO (a key precursor and intermediate in the oxidation of organic carbon) and apply an associated surface correction for inventories that have counted emissions of carbon precursor as CO2. We also explore the benefit of assimilating satellite observations of CO into GEOS-Chem to obtain an observation-based estimate of the CO2 chemical source. The CO assimilation corrects for an underestimate of atmospheric CO abundances in the model, resulting in increases of as much as 24% in the chemical source during May–June 2006, and increasing the global annual estimate of CO2 chemical production from 1.05 to 1.18 Pg C. Comparisons of model CO2 with measurements are carried out in order to investigate the spatial and temporal distributions that result when these new sources are added. Inclusion of CO2 emissions from shipping and aviation are shown to increase the global CO2 latitudinal gradient by just over 0.10 ppm (~3%), while the inclusion of CO2 chemical production (and the surface correction) is shown to decrease the latitudinal gradient by about 0.40 ppm (~10%) with a complex spatial structure generally resulting in decreased CO2 over land and increased CO2 over the oceans. Since these CO2 emissions are omitted or misrepresented in most inverse modeling work to date, their implementation in forward simulations should lead to improved inverse modeling estimates of terrestrial biospheric fluxes.

Description: The main characteristics of the new version 1.2 of the three-dimensional Earth system model of intermediate complexity LOVECLIM are briefly described. LOVECLIM 1.2 includes representations of the atmosphere, the ocean and sea ice, the land surface (including vegetation), the ice sheets, the icebergs and the carbon cycle. The atmospheric component is ECBilt2, a T21, 3-level quasi-geostrophic model. The oceanic component is CLIO3, which is made up of an ocean general circulation model coupled to a comprehensive thermodynamic-dynamic sea-ice model. Its horizontal resolution is 3° by 3°, and there are 20 levels in the ocean. ECBilt-CLIO is coupled to VECODE, a vegetation model that simulates the dynamics of two main terrestrial plant functional types, trees and grasses, as well as desert. VECODE also simulates the evolution of the carbon cycle over land while the oceanic carbon cycle is represented in LOCH, a comprehensive model that takes into account both the solubility and biological pumps. The ice sheet component AGISM is made up of a three-dimensional thermomechanical model of the ice sheet flow, a visco-elastic bedrock model and a model of the mass balance at the ice-atmosphere and ice ocean interfaces. For both the Greenland and Antarctic ice sheets, calculations are made on a 10 km by 10 km resolution grid with 31 sigma levels. LOVECLIM 1.2 reproduces well the major characteristics of the observed climate both for present-day conditions and for key past periods such as the last millennium, the mid-Holocene and the Last Glacial Maximum. However, despite some improvements compared to earlier versions, some biases are still present in the model. The most serious ones are mainly located at low latitudes with an overestimation of the temperature there, a too symmetric distribution of precipitation between the two hemispheres, an overestimation of precipitation and vegetation cover in the subtropics. In addition, the atmospheric circulation is too weak. The model also tends to underestimate the surface temperature changes (mainly at low latitudes) and to overestimate the ocean heat uptake observed over the last decades.

Description: The atmospheric chemistry general circulation model ECHAM5/MESSy (EMAC) and the atmospheric chemistry box model CAABA are extended by a computationally very efficient submodel for atmospheric chemistry, E4CHEM. It focuses on stratospheric chemistry but also includes background tropospheric chemistry. It is based on the chemistry of MAECHAM4-CHEM and is intended to serve as a simple and fast alternative to the flexible but also computationally more demanding submodel MECCA. In a model setup with E4CHEM, EMAC is now also suitable for simulations of longer time scales. The reaction mechanism contains basic O3, CH4, CO, HOx, NOx and ClOx gas phase chemistry. In addition, E4CHEM includes optional fast routines for heterogeneous reactions on sulphate aerosols and polar stratospheric clouds (substituting the existing submodels PSC and HETCHEM), and scavenging (substituting the existing submodel SCAV). We describe the implementation of E4CHEM into the MESSy structure of CAABA and EMAC. For some species the steady state in the box model differs by up to 100% when compared to results from CAABA/MECCA due to different reaction rates. After an update of the reaction rates in E4CHEM the mixing ratios in both boxmodel and 3-D model simulations are in satisfactory agreement with the results from a simulation where MECCA with a similar chemistry scheme was employed. Finally, a comparison against a simulation with a more complex and already evaluated chemical mechanism is presented in order to discuss shortcomings associated with the simplification of the chemical mechanism.

Description: The effect of orbital variations on simulated millennial-scale variability of the Atlantic Meridional Overturning Circulation (AMOC) is studied using the earth system model of intermediate complexity LOVECLIM. It is found that for present-day topographic boundary conditions low obliquity values (~22.1°) favor the triggering of internally generated millennial-scale variability in the North Atlantic region. Reducing the obliquity leads to changes of the pause-pulse ratio of the corresponding AMOC oscillations. Stochastic excitations of the density-driven overturning circulation in the Nordic Seas can create regional sea-ice anomalies and a subsequent reorganization of the atmospheric circulation. The resulting remote atmospheric anomalies over the Hudson Bay can release freshwater pulses into the Labrador Sea leading to a subsequent reduction of convective activity. The millennial-scale AMOC oscillations disappear if LGM bathymetry (with closed Hudson Bay) or Hudson Bay salinity is prescribed. Furthermore, our study documents the marine and terrestrial carbon cycle response to millennial-scale AMOC variability.

Description: A new condensed toluene mechanism is incorporated into the Community Multiscale Air Quality Modeling system. Model simulations are performed using the CB05 chemical mechanism containing the existing (base) and the new toluene mechanism for the western and eastern US for a summer month. With current estimates of tropospheric emission burden, the new toluene mechanism increases monthly mean daily maximum 8-h ozone by 1.0–3.0 ppbv in Los Angeles, Portland, Seattle, Chicago, Cleveland, northeastern US, and Detroit compared to that with the base toluene chemistry. It reduces model mean bias for ozone at elevated observed ozone mixing ratios. While the new mechanism increases predicted ozone, it does not enhance ozone production efficiency. Sensitivity study suggests that it can further enhance ozone if elevated toluene emissions are present. While changes in total fine particulate mass are small, predictions of in-cloud SOA increase substantially.

Description: Black carbon (BC) and mineral dust are among the dominant atmospheric ice nuclei, i.e. aerosol particles that can initiate heterogeneous nucleation of ice crystals. When released, most BC and dust particles are externally mixed with other aerosol compounds. Through coagulation with particles containing soluble material and condensation of gases, externally mixed particles may obtain a coating and be transferred into an internal mixture. The mixing state of BC and dust aerosol particles influences their radiative and hygroscopic properties, as well as their ability of building ice crystals. We introduce the new aerosol microphysics submodel MADE-IN, implemented within the ECHAM/MESSy Atmospheric Chemistry global model (EMAC). MADE-IN is able to track separately mass and number concentrations of BC and dust particles in their different mixing states, as well as particles free of BC and dust. MADE-IN describes these three classes of particles through a superposition of seven log-normally distributed modes, and predicts the evolution of their size distribution and chemical composition. Six out of the seven modes are mutually interacting, allowing for the transfer of mass and number among them. Separate modes for the different mixing states of BC and dust particles in EMAC/MADE-IN allow for explicit simulations of the relevant aging processes, i.e. condensation, coagulation and cloud processing. EMAC/MADE-IN has been evaluated with surface and airborne measurements and performs well both in the planetary boundary layer and in the upper troposphere and lowermost stratosphere. Such a model represents a highly appropriate tool for the study of the concentration and composition of potential atmospheric ice nuclei.

Description: Anthropogenic aerosol effects on climate produce one of the largest uncertainties in estimates of radiative forcing of past and future climate change. Much of this uncertainty arises from the multi-scale nature of the interactions between aerosols, clouds and large-scale dynamics, which are difficult to represent in conventional global climate models (GCMs). In this study, we develop a multi-scale aerosol climate model that treats aerosols and clouds across different scales, and evaluate the model performance, with a focus on aerosol treatment. This new model is an extension of a multi-scale modeling framework (MMF) model that embeds a cloud-resolving model (CRM) within each grid column of a GCM. In this extension, the effects of clouds on aerosols are treated by using an explicit-cloud parameterized-pollutant (ECPP) approach that links aerosol and chemical processes on the large-scale grid with statistics of cloud properties and processes resolved by the CRM. A two-moment cloud microphysics scheme replaces the simple bulk microphysics scheme in the CRM, and a modal aerosol treatment is included in the GCM. With these extensions, this multi-scale aerosol-climate model allows the explicit simulation of aerosol and chemical processes in both stratiform and convective clouds on a global scale. Simulated aerosol budgets in this new model are in the ranges of other model studies. Simulated gas and aerosol concentrations are in reasonable agreement with observations, although the model underestimates black carbon concentrations at the surface. Simulated aerosol size distributions are in reasonable agreement with observations in the marine boundary layer and in the free troposphere, while the model underestimates the accumulation mode number concentrations near the surface, and overestimates the accumulation number concentrations in the free troposphere. Simulated cloud condensation nuclei (CCN) concentrations are within the observational variations. Simulated aerosol optical depth (AOD) and single scattering albedo (SSA) are in reasonable agreement with observations, and the spatial distribution of AOD is consistent with observations, while the model underestimates AOD over regions with strong fossil fuel and biomass burning emissions, and overestimates AOD over regions with strong dust emissions. Overall, this multi-scale aerosol climate model simulates aerosol fields as well as conventional aerosol models.

Description: ATLAS is a new global Lagrangian Chemistry and Transport Model (CTM), which includes a stratospheric chemistry scheme with 46 active species, 171 reactions, heterogeneous chemistry on polar stratospheric clouds and a Lagrangian denitrification module. Lagrangian (trajectory-based) models have several important advantages over conventional Eulerian models, including the absence of spurious numerical diffusion, efficient code parallelization and no limitation of the largest time step by the Courant-Friedrichs-Lewy criterion. This work describes and validates the stratospheric chemistry scheme of the model. Stratospheric chemistry is simulated with ATLAS for the Arctic winter 1999/2000, with a focus on polar ozone depletion and denitrification. The simulations are used to validate the chemistry module in comparison with measurements of the SOLVE/THESEO 2000 campaign. A Lagrangian denitrification module, which is based on the simulation of the nucleation, sedimentation and growth of a large number of polar stratospheric cloud particles, is used to model the substantial denitrification that occured in this winter.

Description: Calculating the equilibrium composition of atmospheric aerosol particles, using all variations of Köhler theory, has largely assumed that the total solute concentrations define both the water activity and surface tension. Recently however, bulk to surface phase partitioning has been postulated as a process which significantly alters the predicted point of activation. In this paper, an analytical solution to calculate the removal of material from a bulk to a surface layer in aerosol particles has been derived using a well established and validated surface tension framework. The applicability to an unlimited number of components is possible via reliance on data from each binary system. Whilst assumptions regarding behaviour at the surface layer have been made to facilitate derivation, it is proposed that the framework presented can capture the overall impact of bulk-surface partitioning. Predictions made by the model across a range of surface active properties should be tested against measurements. The computational efficiency of using the solution presented in this paper is roughly a factor of 20 less than a similar iterative approach, a comparison with highly coupled approaches not available beyond a 3 component system.

Description: Successful simulation of cloud-aerosol interactions (indirect aerosol effects) in climate models requires relating grid-scale aerosol, dynamic, and thermodynamic fields to small-scale processes like aerosol activation. A turbulence and cloud parameterization, based on multivariate probability density functions (PDFs) of sub-grid vertical velocity, temperature, and moisture, has been extended to treat aerosol activation. This dynamics-PDF approach offers a solution to the problem of the scale gap between the resolution of climate models and the scales relevant for aerosol activation and a means to overcome the limitations of diagnostic estimates of cloud droplet number concentration based only on aerosol concentration. Incorporated into a single-column model for GFDL AM3, the dynamics-PDF parameterization successfully simulates cloud fraction and water content for shallow cumulus, stratocumulus, and cumulus-under-stratocumulus regimes. The extension to treat aerosol activation predicts droplet number concentrations in good agreement with large eddy simulation (LES). The dynamics-PDF droplet number concentrations match LES results more closely than state-of-the-science diagnostic relationships between aerosol concentration and droplet number concentration.

Description: Isotope composition, in many cases, holds unique information on sources, chemical modification and sinks of atmospheric trace gases. Vital to the interpretation and use of an increasing number of isotope analyses is appropriate modelling. However, the exact implementation of isotopic information is a challenge, and often studies use simplifications which limit their applicability. Here we confer a thorough isotopic extension to MECCA, a comprehensive kinetic chemistry sub-model. To this end, we devise a generic tagging technique for the kinetic chemistry mechanisms implemented as the sub-submodel MECCA-TAG. The technique constitutes a diagnostic tool that can benefit the investigation of various aspects of kinetic chemistry schemes; at the same time, the designed numerical optimisation reduces the computational effort while keeping important details unaffected. We further focus specifically on the modelling of stable isotopic composition, including the required extensions of the approach. The results of MECCA-TAG are evaluated against the reference sub-submodel MECCA-DBL, which is implicitly full-detailed, but necessarily is sub-optimal in practical applications due to its high computational demands. Furthermore, we evaluate the elaborate carbon and oxygen isotopic mechanism by simulating the multi-isotope composition of CO and other trace gases in the CAABA/MECCA box-model. The mechanism realistically simulates the oxygen isotope composition of key species resulting from the interchange with ozone and main atmospheric reservoirs, as well as the carbon isotope signature transfer. The model adequately reproduces the isotope chemistry features for CO under the limitation of the modelling domain. In particular, the mass-independently fractionated (MIF) composition of CO due to reactions of ozone with unsaturated hydrocarbons (a source effect) versus its intrinsic MIF enrichment induced in the removal reaction via oxidation by OH is assessed. As for the simulated conditions, the ozone source effect was found to be up to +1‰ in Δ17O(CO). The versatile modelling framework we employ (the Modular Earth Submodel System, MESSy) opens the way for implementation of the novel detailed isotopic chemistry treatment in the three-dimensional atmospheric-chemistry general circulation model EMAC. We therefore also present estimates of the computational gain obtained by the developed optimisations.

Description: This paper presents a new offline dust cycle model which uses the Lund-Potsdam-Jena dynamic global vegetation model (Sitch et al., 2003) to calculate time varying dust sources. Surface emissions are calculated by simulating the processes of saltation and sandblasting using an existing model (Tegen et al., 2002). Dust is transported using the TOMCAT chemical transport model (Chipperfield, 2006). Dust particles are removed from the atmosphere by dry deposition and sub-cloud scavenging. The model is designed so that it can be driven using reanalysis data or GCM derived fields. To improve the performance of the model, threshold values for vegetation cover, soil moisture, snow depth and threshold friction velocity, used to determine surface emissions are tuned. The effectiveness of three sub-cloud scavenging schemes are also tested. An ensemble of tuning experiments are evaluated against dust deposition and surface concentration measurements.

Description: This paper describes an approximation to the lower incomplete gamma function γl(a,x) which has been obtained by nonlinear curve fitting. It comprises a fixed number of terms and yields moderate accuracy (the absolute approximation error of the corresponding normalized incomplete gamma function P is smaller than 0.02 in the range 0.9 ≤ a ≤ 45 and x ≥ 0). Monotonicity and asymptotic behaviour of the original incomplete gamma function is preserved. While providing a slight to moderate performance gain on scalar machines (depending on whether a stays the same for subsequent function evaluations or not) compared to established and more accurate methods based on series- or continued fraction expansions with a variable number of terms, a big advantage over these more accurate methods is the applicability on vector CPUs. Here the fixed number of terms enables proper and efficient vectorization. The fixed number of terms might be also beneficial on massively parallel machines to avoid load imbalances, caused by a possibly vastly different number of terms in series expansions to reach convergence at different grid points. For many cloud microphysical applications, the provided moderate accuracy should be enough. However, on scalar machines and if a is the same for subsequent function evaluations, the most efficient method to evaluate incomplete gamma functions is perhaps interpolation of pre-computed equidistant lookup tables.

Description: For the first time, a model that simulates methane emissions from northern peatlands is incorporated directly into a dynamic global vegetation model. The model, LPJ-WHyMe (LPJ-Wetland Hydrology and Methane), was previously modified in order to simulate peatland hydrology, permafrost dynamics and peatland vegetation. LPJ-WHyMe simulates methane emissions using a mechanistic approach, although the use of some empirical relationships and parameters is unavoidable. The model simulates methane production, three pathways of methane transport (diffusion, plant-mediated transport and ebullition) and methane oxidation. Two sensitivity tests were conducted, first to identify the most important factors influencing methane emissions and secondly to justify the choice of parameters. A comparison of model results to observations from seven sites revealed in general good agreement but also highlighted some problems. Circumpolar methane emissions for the period 1961–1990 were estimated to be between 40.8 and 73.7 Tg CH4 a-1.

Description: Stochastic Quantization (SQ) is a method for the approximation of a continuous probability distribution with a discrete one. The proposal made in this paper is to apply this technique to reduce the number of numerical simulations for systems with uncertain inputs, when estimates of the output distribution are needed. This question is relevant in volcanology, where realistic simulations are very expensive and uncertainty is always present. We show the results of a benchmark test based on a one-dimensional steady model of magma flow in a volcanic conduit.