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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2022

Assimilation of NASA’s Airborne Snow Observatory Snow Measurements for Improved Hydrological Modeling: A Case Study Enabled by the Coupled LIS/WRF-Hydro System

he NASA LIS/WRF-Hydro system is a coupled modeling framework that combines the modeling and data assimilation (DA) capabilities of the NASA Land Information System (LIS) with the multi-scale surface hydrological modeling capabilities of the WRF-Hydro model, both of which are widely used in both operations and research. This coupled modeling framework builds on the linkage between land surface models (LSMs), which simulate surface boundary conditions in atmospheric models, and distributed hydrologic models, which simulate horizontal surface and sub-surface flow, adding new land DA capabilities. In the present study, we employ this modeling framework in the Tuolumne River basin in central California. We demonstrate the added value of the assimilation of NASA Airborne Snow Observatory (ASO) snow water equivalent (SWE) estimates in the Tuolumne basin. This analysis is performed in both LIS as an LSM column model and LIS/WRF-Hydro, with hydrologic routing. Results demonstrate that ASO DA in the basin reduced snow bias by as much as 30% from an open-loop (OL) simulation compared to three independent datasets. It also reduces downstream streamflow runoff biases by as much as 40%, and improves streamflow skill scores in both wet and dry years. Analysis of soil moisture and evapotranspiration (ET) also reveals the impacts of hydrologic routing from WRF-Hydro in the simulations, which would otherwise not be resolved in an LSM column model. By demonstrating the beneficial impact of SWE DA on the improving streamflow forecasts, the article outlines the importance of such observational inputs for reservoir operations and related water management applications.

Hydrologic modeling↗
NASA NTRS2022

Assimilation of NASA's Airborne Snow Observatory Snow Measurements for Improved Hydrological Modeling: A Case Study Enabled by the Coupled LIS/WRF-Hydro System

The NASA LIS/WRF-Hydro system is a coupled modeling framework that combines the modeling and data assimilation (DA) capabilities of the NASA Land Information System (LIS) with the multi-scale surface hydrological modeling capabilities of the WRF-Hydro model, both of which are widely used in both operations and research. This coupled modeling framework builds on the linkage between land surface models (LSMs), which simulate surface boundary conditions in atmospheric models, and distributed hydrologic models, which simulate horizontal surface and sub-surface flow, adding new land DA capabilities. In the present study, we employ this modeling framework in the Tuolumne River basin in central California. We demonstrate the added value of the assimilation of NASA Airborne Snow Observatory (ASO) snow water equivalent (SWE) estimates in the Tuolumne basin. This analysis is performed in both LIS as an LSM column model and LIS/WRF-Hydro, with hydrologic routing. Results demonstrate that ASO DA in the basin reduced snow bias by as much as 30% from an open-loop (OL) simulation compared to three independent datasets. It also reduces downstream streamflow runoff biases by as much as 40%, and improves streamflow skill scores in both wet and dry years. Analysis of soil moisture and evapotranspiration (ET) also reveals the impacts of hydrologic routing from WRF-Hydro in the simulations, which would otherwise not be resolved in an LSM column model. By demonstrating the beneficial impact of SWE DA on the improving streamflow forecasts, the article outlines the importance of such observational inputs for reservoir operations and related water management applications.

Timothy M. Lahmers↗
DOE OSTI2025

Hydrology controls thermokarst and alters carbon cycling and methane emissions in peatlands near the southern limit of permafrost: Model Inputs and Outputs

This dataset contains model inputs and simulation outputs associated with the study “Hydrology controls thermokarst and alters carbon cycling and methane emissions in peatlands near the southern limit of permafrost.” The ecosys model was extended to represent thermokarst processes in laterally coupled two-dimensional transects and applied to the Scotty Creek basin (Northwest Territories, Canada). The ecosys model and documentation is available for download at https://github.com/jinyun1tang/ECOSYS. The dataset contains the inputs used to run the model for this study (meteorological forcing data (1950–2018) and site-specific soil and vegetation parameters) and model outputs used to generate Figure 3 and Figure 4 in the paper (simulated ground thermal and hydrologic states, vegetation dynamics, and carbon fluxes).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

SU-E-J-186: Using 4DCT-Based Motion Modeling to Predict Motion and Duty Cycle On Successive Days of Gated Radiotherapy

Purpose: To determine if 4DCT-based motion modeling and external surrogate motion measured during treatment simulation can enhance prediction of residual tumor motion and duty cycle during treatment delivery. Methods: This experiment was conducted using simultaneously recorded tumor and external surrogate motion acquired over multiple fractions of lung cancer radiotherapy. These breathing traces were combined with the XCAT phantom to simulate CT images. Data from the first day was used to estimate the residual tumor motion and duty cycle both directly from the 4DCT (the current clinical standard), and from external-surrogate based motion modeling. The accuracy of these estimated residual tumor motions and duty cycles are evaluated by comparing to the measured internal/external motions from other treatment days. Results: All calculations were done for 25% and 50% duty cycles. The results indicated that duty cycle derived from 4DCT information alone is not enough to accurately predict duty cycles during treatment. Residual tumor motion was determined from the recorded data and compared with the estimated residual tumor motion from 4DCT. Relative differences in residual tumor motion varied from −30% to 55%, suggesting that more information is required to properly predict residual tumor motion. Compared to estimations made from 4DCT, in three out of four patients examined, the 30 seconds of motion modeling data was able to predict the duty cycle with better accuracy than 4DCT. No improvement was observed in prediction of residual tumor motion for this dataset. Conclusion: Motion modeling during simulation has the potential to enhance 4DCT and provide more information about target motion, duty cycles, and delivered dose. Based on these four patients, 30 seconds of motion modeling data produced improve duty cycle estimations but showed no measurable improvement in residual tumor motion prediction. More patient data is needed to verify this Result. I would like to acknowledge funding from MRA, VARIAN Medical Systems, Inc.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Computational Flame Diagnostics for Direct Numerical Simulations with Detailed Chemistry of Transportation Fuels

The goal of the proposed research is to create computational flame diagnostics (CFLD) that are rigorous numerical algorithms for systematic detection of critical flame features, such as ignition, extinction, and premixed and non-premixed flamelets, and to understand the underlying physicochemical processes controlling limit flame phenomena, flame stabilization, turbulence-chemistry interactions and pollutant emissions etc. The goal has been accomplished through an integrated effort on mechanism reduction, direct numerical simulations (DNS) of flames at engine conditions and a variety of turbulent flames with transport fuels, computational diagnostics, turbulence modeling, and DNS data mining and data reduction. The computational diagnostics are primarily based on the chemical explosive mode analysis (CEMA) and a recently developed bifurcation analysis using datasets from first-principle simulations of 0-D reactors, 1-D laminar flames, and 2-D and 3-D DNS (collaboration with J.H. Chen and S. Som at Argonne, and C.S. Yoo at UNIST). Non-stiff reduced mechanisms for transportation fuels amenable for 3-D DNS are developed through graph-based methods and timescale analysis. The flame structures, stabilization mechanisms, local ignition and extinction etc., and the rate controlling chemical processes are unambiguously identified through CFLD. CEMA is further employed to segment complex turbulent flames based on the critical flame features, such as premixed reaction fronts, and to enable zone-adaptive turbulent combustion modeling.

42 ENGINEERING↗
NASA NTRS2005

Analysis of Multiple Precipitation Products and Preliminary Assessment of Their Impact on Global Land Data Assimilation System (GLDAS) Land Surface States

Land surface models (LSMs) are computer programs, similar to weather and climate prediction models, which simulate the stocks and fluxes of water (including soil moisture, snow, evaporation, and runoff) and energy (including the temperature of and sensible heat released from the soil) after they arrive on the land surface as precipitation and sunlight. It is not currently possible to measure all of the variables of interest everywhere on Earth with sufficient accuracy and space-time resolution. Hence LSMs have been developed to integrate the available observations with our understanding of the physical processes involved, using powerful computers, in order to map these stocks and fluxes as they change in time. The maps are used to improve weather forecasts, support water resources and agricultural applications, and study the Earth's water cycle and climate variability. NASA's Global Land Data Assimilation System (GLDAS) project facilitates testing of several different LSMs with a variety of input datasets (e.g., precipitation, plant type). Precipitation is arguably the most important input to LSMs. Many precipitation datasets have been produced using satellite and rain gauge observations and weather forecast models. In this study, seven different global precipitation datasets were evaluated over the United States, where dense rain gauge networks contribute to reliable precipitation maps. We then used the seven datasets as inputs to GLDAS simulations, so that we could diagnose their impacts on output stocks and fluxes of water. In terms of totals, the Climate Prediction Center (CPC) Merged Analysis of Precipitation (CMAP) had the closest agreement with the US rain gauge dataset for all seasons except winter. The CMAP precipitation was also the most closely correlated in time with the rain gauge data during spring, fall, and winter, while the satellitebased estimates performed best in summer. The GLDAS simulations revealed that modeled soil moisture is highly sensitive to precipitation, with differences in spring and summer as large as 45% depending on the choice of precipitation input.

Gottschalck, Jon↗
DOE OSTI2024

A method for examining ensemble averaging forms during the transition to turbulence in HED systems for application to RANS models

This paper discusses a strategy to initialize a two-dimensional (2D) Reynolds-averaged Navier–Stokes model [LANL's Besnard–Harlow–Rauenzahn (BHR) model] in order to describe an unsteady transitional Richtmyer–Meshkov (RM)-induced flow observed in on-going high-energy-density ensemble experiments performed on the OMEGA-EP facility. The experiments consist of a nominal single-mode perturbation (initial amplitude a 0 ≈ 10 and wavelength $λ$ = 100μm) with target-to-target variations in the surface roughness subjected to the RM instability with delayed Rayleigh–Taylor in a heavy-to-light configuration. Our strategy leverages high-resolution three-dimensional (3D) implicit large eddy simulations (ILES) simulations to initialize BHR-relevant parameters and subsequently validate the 2D BHR results against the 3D ILES simulations. A suite of five 3D ILES simulations corresponding to five experimental target profiles is undertaken to generate an ensemble dataset. Using ensemble averages from the 3D simulations to initialize the turbulent kinetic energy in the BHR model ( K 0 ) demonstrates the ability of the model to predict the time evolution of the interface as well as the density-specific-volume covariance, b . To quantify the sensitivity of the BHR results to the choice of K 0 and the initial turbulent length scale, S 0 , we execute a parameter sweep spanning four orders of magnitude for both S 0 and K 0 , generating a parameter space consisting of 26 simulations. The Pearson's correlation coefficient is used as a measure of discrepancy between the 2D BHR and 3D ILES simulations and reveals that the ranges 8≲S 0 ≲20 μm and 10 9 ≲K 0 ≲10 10 cm 2 /s 2 produce predictions that agree best with the 3D ILES results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

To Derive or Not to Derive: I/O Libraries Take Charge of Derived Quantities Computation

The ever-increasing volume of data produced by HPC simulations necessitates scalable methods for data exploration and knowledge extraction. Scientific data analysis often involves complex queries across distributed datasets, requiring manipulation of multiple primary variables and generating derived data that needs to be handled efficiently, creating challenges for applications that need to parse many large datasets. Relying on individual applications to handle all intermediate data generally leads to redundant computations across studies and unnecessary data transfers. In this paper, we investigate the performance of different approaches where applications define derived variables as quantities of interest (QoIs) and offload the computation and transfer of these QoIs to the I/O library. This significantly reduces redundancy and optimizes data movement across the distributed storage and processing infrastructure by allowing control over when and where derived variables are computed. We present a detailed analysis of the performance-storage trade-offs associated with different solutions and showcase results for our study on two large-scale datasets created from climate and combustion simulations.

Gainaru, Ana↗
DOE OSTI2022

High-Fidelity Heavy-Duty Vehicle Modeling Using Sparse Telematics Data

Heavy-duty commercial vehicles consume a significant amount of energy due to their large size and mass, directly leading to vehicle operators prioritizing energy efficiency to reduce operational costs and comply with environmental regulations. One tool that can be used for the evaluation of energy efficiency in heavy-duty vehicles is the evaluation of energy efficiency using vehicle modeling and simulation. Simulation provides a path for energy efficiency improvement by allowing rapid experimentation of different vehicle characteristics on fuel consumption without the need for costly physical prototyping. The research presented in this paper focuses on using real-world, sparsely sampled telematics data from a large fleet of heavy-duty vehicles to create high-fidelity models for simulation. Samples in the telematics dataset are collected sporadically, resulting in sparse data with an infrequent and irregular sampling rate. Captured in the dataset was geospatial information, time series measurements, and vehicle-specific metadata from a subset of 96 vehicles from varied geographic regions across North America. A series of custom algorithms was developed to process vehicle data and derive both vehicle model input parameters and representative drive cycles. Derived models provide a basis on which to simulate real-world vehicles and iterate on vehicle aerodynamics, auxiliary power loads, transmission shift schedules, and other parameters to achieve reduced fuel consumption and increase energy efficiency. Notably, these models were developed without the use of expensive field data collection, using only data collected through fleet telematics. Processed representative drive cycles are used to validate the fuel economy of derived models. The models developed through this research allow for more representative vehicle simulations with increased flexibility regarding vehicle-to-vehicle variations.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2016

SU-G-BRA-07: An Innovative Fiducial-Less Tracking Method for Radiation Treatment of Abdominal Tumors by Diaphragm Disparity Analysis

Purpose: To investigate the feasibility of tracking abdominal tumors without the use of gold fiducial markers Methods: In this simulation study, an abdominal 4DCT dataset, acquired previously and containing 8 phases of the breathing cycle, was used as the testing data. Two sets of DRR images (45 and 135 degrees) were generated for each phase. Three anatomical points along the lung-diaphragm interface on each of the Digital Reconstructed Radiograph(DRR) images were identified by cross-correlation. The gallbladder, which simulates the tumor, was contoured for each phase of the breathing cycle and the corresponding centroid values serve as the measured center of the tumor. A linear model was created to correlate the diaphragm’s disparity of the three identified anatomical points with the center of the tumor. To verify the established linear model, we sequentially removed one phase of the data (i.e., 3 anatomical points and the corresponding tumor center) and created new linear models with the remaining 7 phases. Then we substituted the eliminated phase data (disparities of the 3 anatomical points) into the corresponding model to compare model-generated tumor center and the measured tumor center. Results: The maximum difference between the modeled and the measured centroid values across the 8 phases were 0.72, 0.29 and 0.30 pixels in the x, y and z directions respectively, which yielded a maximum mean-squared-error value of 0.75 pixels. The outcomes of the verification process, by eliminating each phase, produced mean-squared-errors ranging from 0.41 to 1.28 pixels. Conclusion: Gold fiducial markers, requiring surgical procedures to be implanted, are conventionally used in radiation therapy. The present work shows the feasibility of a fiducial-less tracking method for localizing abdominal tumors. Through developed diaphragm disparity analysis, the established linear model was verified with clinically accepted errors. The tracking method in real time under different radiation therapy platforms will be further investigated.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2005

AGCM Biases in Evaporation Regime: Impacts on Soil Moisture Memory and Land-Atmosphere Feedback

Because precipitation and net radiation in an atmospheric general circulation model (AGCM) are typically biased relative to observations, the simulated evaporative regime of a region may be biased, with consequent negative effects on the AGCM s ability to translate an initialized soil moisture anomaly into an improved seasonal prediction. These potential problems are investigated through extensive offline analyses with the Mosaic land surface model (LSM). We first forced the LSM globally with a 15-year observations-based dataset. We then repeated the simulation after imposing a representative set of GCM climate biases onto the forcings - the observational forcings were scaled so that their mean seasonal cycles matched those simulated by the NSIPP-1 (NASA Global Modeling and Assimilation Office) AGCM over the same period-The AGCM s climate biases do indeed lead to significant biases in evaporative regime in certain regions, with the expected impacts on soil moisture memory timescales. Furthermore, the offline simulations suggest that the biased forcing in the AGCM should contribute to overestimated feedback in certain parts of North America - parts already identified in previous studies as having excessive feedback. The present study thus supports the notion that the reduction of climate biases in the AGCM will lead to more appropriate translations of soil moisture initialization into seasonal prediction skill.

Mahanama, Sarith P. P.↗
NASA NTRS2014

Water Balance in the Amazon Basin from a Land Surface Model Ensemble

Despite recent advances in land surfacemodeling and remote sensing, estimates of the global water budget are still fairly uncertain. This study aims to evaluate the water budget of the Amazon basin based on several state-ofthe- art land surface model (LSM) outputs. Water budget variables (terrestrial water storage TWS, evapotranspiration ET, surface runoff R, and base flow B) are evaluated at the basin scale using both remote sensing and in situ data. Meteorological forcings at a 3-hourly time step and 18 spatial resolution were used to run 14 LSMs. Precipitation datasets that have been rescaled to matchmonthly Global Precipitation Climatology Project (GPCP) andGlobal Precipitation Climatology Centre (GPCC) datasets and the daily Hydrologie du Bassin de l'Amazone (HYBAM) dataset were used to perform three experiments. The Hydrological Modeling and Analysis Platform (HyMAP) river routing scheme was forced with R and B and simulated discharges are compared against observations at 165 gauges. Simulated ET and TWS are compared against FLUXNET and MOD16A2 evapotranspiration datasets andGravity Recovery and ClimateExperiment (GRACE)TWSestimates in two subcatchments of main tributaries (Madeira and Negro Rivers).At the basin scale, simulated ET ranges from 2.39 to 3.26 mm day(exp -1) and a low spatial correlation between ET and precipitation indicates that evapotranspiration does not depend on water availability over most of the basin. Results also show that other simulated water budget components vary significantly as a function of both the LSM and precipitation dataset, but simulated TWS generally agrees with GRACE estimates at the basin scale. The best water budget simulations resulted from experiments using HYBAM, mostly explained by a denser rainfall gauge network and the rescaling at a finer temporal scale.

GPCP↗
DOE OSTI2019

North American Winter Dipole: Observed and Simulated Changes in Circulations

In recent years, a pair of large-scale circulation patterns consisting of an anomalous ridge over northwestern North America and trough over northeastern North America was found to accompany extreme winter weather events such as the 2013–2015 California drought and eastern U.S. cold outbreaks. Referred to as the North American winter dipole (NAWD), previous studies have found both a marked natural variability and a warming-induced amplification trend in the NAWD. In this study, we utilized multiple global reanalysis datasets and existing climate model simulations to examine the variability of the winter planetary wave patterns over North America and to better understand how it is likely to change in the future. We compared between pre- and post-1980 periods to identify changes to the circulation variations based on empirical analysis. It was found that the leading pattern of the winter planetary waves has changed, from the Pacific–North America (PNA) mode to a spatially shifted mode such as NAWD. Further, the potential influence of global warming on NAWD was examined using multiple climate model simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Integrating NDVI-Based Within-Wetland Vegetation Classification in a Land Surface Model Improves Methane Emission Estimations

Earth system models (ESMs) are a common tool for estimating local and global greenhouse gas emissions under current and projected future conditions. Efforts are underway to expand the representation of wetlands in the Energy Exascale Earth System Model (E3SM) Land Model (ELM) by resolving the simultaneous contributions to greenhouse gas fluxes from multiple, different, sub-grid-scale patch-types, representing different eco-hydrological patches within a wetland. However, for this effort to be effective, it should be coupled with the detection and mapping of within-wetland eco-hydrological patches in real-world wetlands, providing models with corresponding information about vegetation cover. In this short communication, we describe the application of a recently developed NDVI-based method for within-wetland vegetation classification on a coastal wetland in Louisiana and the use of the resulting yearly vegetation cover as input for ELM simulations. Processed Harmonized Landsat and Sentinel-2 (HLS) datasets were used to drive the sub-grid composition of simulated wetland vegetation each year, thus tracking the spatial heterogeneity of wetlands at sufficient spatial and temporal resolutions and providing necessary input for improving the estimation of methane emissions from wetlands. Our results show that including NDVI-based classification in an ELM reduced the uncertainty in predicted methane flux by decreasing the model’s RMSE when compared to Eddy Covariance measurements, while a minimal bias was introduced due to the resampling technique involved in processing HLS data. Our study shows promising results in integrating the remote sensing-based classification of within-wetland vegetation cover into earth system models, while improving their performances toward more accurate predictions of important greenhouse gas emissions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

SU-E-T-157: CARMEN: A MatLab-Based Research Platform for Monte Carlo Treatment Planning (MCTP) and Customized System for Planning Evaluation

Purpose: Although there exist several radiotherapy research platforms, such as: CERR, the most widely used and referenced; SlicerRT, which allows treatment plan comparison from various sources; and MMCTP, a full MCTP system; it is still needed a full MCTP toolset that provides users complete control of calculation grids, interpolation methods and filters in order to “fairly” compare results from different TPSs, supporting verification with experimental measurements. Methods: This work presents CARMEN, a MatLab-based platform including multicore and GPGPU accelerated functions for loading RT data; designing treatment plans; and evaluating dose matrices and experimental data.CARMEN supports anatomic and functional imaging in DICOM format, as well as RTSTRUCT, RTPLAN and RTDOSE. Besides, it contains numerous tools to accomplish the MCTP process, managing egs4phant and phase space files.CARMEN planning mode assist in designing IMRT, VMAT and MERT treatments via both inverse and direct optimization. The evaluation mode contains a comprehensive toolset (e.g. 2D/3D gamma evaluation, difference matrices, profiles, DVH, etc.) to compare datasets from commercial TPS, MC simulations (i.e. 3ddose) and radiochromic film in a user-controlled manner. Results: CARMEN has been validated against commercial RTPs and well-established evaluation tools, showing coherent behavior of its multiple algorithms. Furthermore, CARMEN platform has been used to generate competitive complex treatment that has been published in comparative studies. Conclusion: A new research oriented MCTP platform with a customized validation toolset has been presented. Despite of being coded with a high-level programming language, CARMEN is agile due to the use of parallel algorithms. The wide-spread use of MatLab provides straightforward access to CARMEN’s algorithms to most researchers. Similarly, our platform can benefit from the MatLab community scientific developments as filters, registration algorithms etc. Finally, CARMEN arises the importance of grid and filtering control in treatment plan comparison.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Deciphering the small-angle scattering of polydisperse hard spheres using deep learning

We introduce a deep learning approach for analyzing the scattering function of the polydisperse hard sphere system. We use a variational autoencoder-based neural network to learn the bidirectional mapping between the scattering function and the system parameters, including the volume fraction and polydispersity. Such that the trained model serves both as a generator that produces a scattering function from the system parameters and an inferrer that extracts system parameters from the scattering function. We first generate a scattering dataset by carrying out molecular dynamics simulations of the polydisperse hard spheres modeled by the truncated-shifted Lennard-Jones model, then analyze the scattering function dataset using singular value decomposition to confirm the feasibility of dimensional compression. Then, we split the dataset into training and testing sets and train our neural network on the training set only. Our generator model produces a scattering function with significantly higher accuracy compared to the traditional Percus–Yevick approximation and β correction, and the inferrer model can extract the volume fraction and polydispersity with much higher accuracy than traditional model functions.

Ding, Lijie [ORNL] (ORCID:0000000227454606)↗
DOE OSTI2023

E3SMv1 simulation output from sensitivity study on aerosol process coupling

This dataset contains annual mean and 6-hourly output data from a set of E3SMv1 simulations that demonstrates the impact of numerical process coupling on the simulated dust life cycle. The simulations are documented and analyzed in the attached manuscript (pdf file). Publishing the manuscript in a peer-reviewed journal will require making the model output publicly available. We plan to use DataHub for that. The data files to be uploaded are currently saved on Compy under /compyfs/wanh895/scidac_share/cflx_2023/

Wan, Hui↗
DOE OSTI2023

Modeling dust mineralogical composition: sensitivity to soil mineralogy atlases and their expected climate impacts

Soil dust aerosols are a key component of the climate system, as they interact with short- and long-wave radiation, alter cloud formation processes, affect atmospheric chemistry and play a role in biogeochemical cycles by providing nutrient inputs such as iron and phosphorus. The influence of dust on these processes depends on its physicochemical properties, which, far from being homogeneous, are shaped by its regionally varying mineral composition. The relative amount of minerals in dust depends on the source region and shows a large geographical variability. However, many state-of-the-art Earth system models (ESMs), upon which climate analyses and projections rely, still consider dust mineralogy to be invariant. The explicit representation of minerals in ESMs is more hindered by our limited knowledge of the global soil composition along with the resulting size-resolved airborne mineralogy than by computational constraints. In this work we introduce an explicit mineralogy representation within the state-of-the-art Multiscale Online Nonhydrostatic AtmospheRe CHemistry (MONARCH) model. We review and compare two existing soil mineralogy datasets, which remain a source of uncertainty for dust mineralogy modeling and provide an evaluation of multiannual simulations against available mineralogy observations. Soil mineralogy datasets are based on measurements performed after wet sieving, which breaks the aggregates found in the parent soil. Our model predicts the emitted particle size distribution (PSD) in terms of its constituent minerals based on brittle fragmentation theory (BFT), which reconstructs the emitted mineral aggregates destroyed by wet sieving. Our simulations broadly reproduce the most abundant mineral fractions independently of the soil composition data used. Feldspars and calcite are highly sensitive to the soil mineralogy map, mainly due to the different assumptions made in each soil dataset to extrapolate a handful of soil measurements to arid and semi-arid regions worldwide. For the least abundant or more difficult-to-determine minerals, such as iron oxides, uncertainties in soil mineralogy yield differences in annual mean aerosol mass fractions of up to ~ 100 %. Although BFT restores coarse aggregates including phyllosilicates that usually break during soil analysis, we still identify an overestimation of coarse quartz mass fractions (above 2 µm in diameter). In a dedicated experiment, we estimate the fraction of dust with undetermined composition as given by a soil map, which makes up ~ 10 % of the emitted dust mass at the global scale and can be regionally larger. Changes in the underlying soil mineralogy impact our estimates of climate-relevant variables, particularly affecting the regional variability of the single-scattering albedo at solar wavelengths or the total iron deposited over oceans. All in all, this assessment represents a baseline for future model experiments including new mineralogical maps constrained by high-quality spaceborne hyperspectral measurements, such as those arising from the NASA Earth Surface Mineral Dust Source Investigation (EMIT) mission.

54 ENVIRONMENTAL SCIENCES↗