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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 NTRS2011

Improving Numerical Weather Predictions of Summertime Precipitation Over the Southeastern U.S. Through a High-Resolution Initialization of the Surface State

It is hypothesized that high-resolution, accurate representations of surface properties such as soil moisture and sea surface temperature are necessary to improve simulations of summertime pulse-type convective precipitation in high resolution models. This paper presents model verification results of a case study period from June-August 2008 over the Southeastern U.S. using the Weather Research and Forecasting numerical weather prediction model. Experimental simulations initialized with high-resolution land surface fields from the NASA Land Information System (LIS) and sea surface temperature (SST) derived from the Moderate Resolution Imaging Spectroradiometer (MODIS) are compared to a set of control simulations initialized with interpolated fields from the National Centers for Environmental Prediction 12-km North American Mesoscale model. The LIS land surface and MODIS SSTs provide a more detailed surface initialization at a resolution comparable to the 4-km model grid spacing. Soil moisture from the LIS spin-up run is shown to respond better to the extreme rainfall of Tropical Storm Fay in August 2008 over the Florida peninsula. The LIS has slightly lower errors and higher anomaly correlations in the top soil layer, but exhibits a stronger dry bias in the root zone. The model sensitivity to the alternative surface initial conditions is examined for a sample case, showing that the LIS/MODIS data substantially impact surface and boundary layer properties.

Case, Jonathan L.↗
NASA NTRS2011

Diagnosing the Sensitivity of Local Land-Atmosphere Coupling via the Soil Moisture-Boundary Layer Interaction

The inherent coupled nature of earth s energy and water cycles places significant importance on the proper representation and diagnosis of land atmosphere (LA) interactions in hydrometeorological prediction models. However, the precise nature of the soil moisture precipitation relationship at the local scale is largely determined by a series of nonlinear processes and feedbacks that are difficult to quantify. To quantify the strength of the local LA coupling (LoCo), this process chain must be considered both in full and as individual components through their relationships and sensitivities. To address this, recent modeling and diagnostic studies have been extended to 1) quantify the processes governing LoCo utilizing the thermodynamic properties of mixing diagrams, and 2) diagnose the sensitivity of coupled systems, including clouds and moist processes, to perturbations in soil moisture. This work employs NASA s Land Information System (LIS) coupled to the Weather Research and Forecasting (WRF) mesoscale model and simulations performed over the U.S. Southern Great Plains. The behavior of different planetary boundary layers (PBL) and land surface scheme couplings in LIS WRF are examined in the context of the evolution of thermodynamic quantities that link the surface soil moisture condition to the PBL regime, clouds, and precipitation. Specifically, the tendency toward saturation in the PBL is quantified by the lifting condensation level (LCL) deficit and addressed as a function of time and space. The sensitivity of the LCL deficit to the soil moisture condition is indicative of the strength of LoCo, where both positive and negative feedbacks can be identified. Overall, this methodology can be applied to any model or observations and is a crucial step toward improved evaluation and quantification of LoCo within models, particularly given the advent of next-generation satellite measurements of PBL and land surface properties along with advances in data assimilation schemes.

Santanello, Joseph A., Jr.↗
NASA NTRS1999

Retrieval Assimilation and Modeling of Atmospheric Water Vapor from Ground- and Space-Based GPS Networks: Investigation of the Global and Regional Hydrological Cycles

Uncertainty over the response of the atmospheric hydrological cycle (particularly the distribution of water vapor and cloudiness) to anthropogenic forcing is a primary source of doubt in current estimates of global climate sensitivity, which raises severe difficulties in evaluating its likely societal impact. Fortunately, a variety of advanced techniques and sensors are beginning to shed new light on the atmospheric hydrological cycle. One of the most promising makes use of the sensitivity of the Global Positioning System (GPS) to the thermodynamic state, and in particular the water vapor content, of the atmosphere through which the radio signals propagate. Our strategy to derive the maximum benefit for hydrological studies from the rapidly increasing GPS data stream will proceed in three stages: (1) systematically analyze and archive quality-controlled retrievals using state-of-the-art techniques; (2) employ both currently available and innovative assimilation procedures to incorporate these determinations into advanced regional and global atmospheric models and assess their effects; and (3) apply the results to investigate selected scientific issues of relevance to regional and global hydrological studies. An archive of GPS-based estimation of total zenith delay (TZD) data and water vapor where applicable has been established with expanded automated quality control. The accuracy of the GPS estimates is being monitored; the investigation of systematic errors is ongoing using comparisons with water vapor radiometers. Meteorological packages have been implemented. The accuracy and utilization of the TZD estimates has been improved by implementing a troposphere gradient model. GPS-based gradients have been validated as real atmospheric moisture gradients, establishing a link between the estimated gradients and the passage of weather fronts. We have developed a generalized ray tracing inversion scheme that can be used to analyze occultation data acquired from space- or land-based receivers. The National Center for Atmospheric Research mesoscale model (version MM5) has been adapted for Southern California, and assimilation studies are underway. Additional information is contained in the original.

Dickey, Jean O.↗
NASA NTRS2017

GEOS Atmospheric Model: Challenges at Exascale

The Goddard Earth Observing System (GEOS) model at NASA's Global Modeling and Assimilation Office (GMAO) is used to simulate the multi-scale variability of the Earth's weather and climate, and is used primarily to assimilate conventional and satellite-based observations for weather forecasting and reanalysis. In addition, assimilations coupled to an ocean model are used for longer-term forecasting (e.g., El Nino) on seasonal to interannual times-scales. The GMAO's research activities, including system development, focus on numerous time and space scales, as detailed on the GMAO website, where they are tabbed under five major themes: Weather Analysis and Prediction; Seasonal-Decadal Analysis and Prediction; Reanalysis; Global Mesoscale Modeling, and Observing System Science. A brief description of the GEOS systems can also be found at the GMAO website. GEOS executes as a collection of earth system components connected through the Earth System Modeling Framework (ESMF). The ESMF layer is supplemented with the MAPL (Modeling, Analysis, and Prediction Layer) software toolkit developed at the GMAO, which facilitates the organization of the computational components into a hierarchical architecture. GEOS systems run in parallel using a horizontal decomposition of the Earth's sphere into processing elements (PEs). Communication between PEs is primarily through a message passing framework, using the message passing interface (MPI), and through explicit use of node-level shared memory access via the SHMEM (Symmetric Hierarchical Memory access) protocol. Production GEOS weather prediction systems currently run at 12.5-kilometer horizontal resolution with 72 vertical levels decomposed into PEs associated with 5,400 MPI processes. Research GEOS systems run at resolutions as fine as 1.5 kilometers globally using as many as 30,000 MPI processes. Looking forward, these systems can be expected to see a 2 times increase in horizontal resolution every two to three years, as well as less frequent increases in vertical resolution. Coupling these resolution changes with increases in complexity, the computational demands on the GEOS production and research systems should easily increase 100-fold over the next five years. Currently, our 12.5 kilometer weather prediction system narrowly meets the time-to-solution demands of a near-real-time production system. Work is now in progress to take advantage of a hybrid MPI-OpenMP parallelism strategy, in an attempt to achieve a modest two-fold speed-up to accommodate an immediate demand due to increased scientific complexity and an increase in vertical resolution. Pursuing demands that require a 10- to 100-fold increases or more, however, would require a detailed exploration of the computational profile of GEOS, as well as targeted solutions using more advanced high-performance computing technologies. Increased computing demands of 100-fold will be required within five years based on anticipated changes in the GEOS production systems, increases of 1000-fold can be anticipated over the next ten years.

ESMF↗
DOE OSTI2024

DiscoFluxM version 1.x

DiscoFluxM is software for modeling the deformation behavior of crystalline materials within the third-party finite-element based software, MOOSE. The software enables full-field crystal plasticity finite element simulations of deformation processes of metals and other crystalline materials. DiscoFluxM is an implementation of the DiscoFlux theoretical and algorithmic framework for coupling single-crystal plasticity with dislocation transport. The continuum mesoscale modeling framework is founded upon a nonlocal dislocation-density based crystal plasticity theory. The nonlocal theory couples continuum dislocation transport with an otherwise spatially-local single-crystal model employing nonlinear thermoelasticity and crystallographic plasticity. Dislocation transport is modeled by enforcing dislocation conservation at a slip-system level through the solution of advection-diffusion equations. The configuration of geometrically necessary dislocation density gives rise to a back-stress that inhibits or accentuates the flow of dislocations.

Luscher, Darby↗
NASA NTRS1999

The Diurnal Cycle in TOGA-COARE: Regional Scale Model Simulations

The diurnal variation of precipitation processes over the tropics is a well-known phenomenon and has been studied using surface rainfall data, radar reflectivity data, and satellite-derived cloudiness and precipitation. Recently, analyzed observations from Tropical Oceans and Global Atmosphere Coupled Ocean-Atmosphere Response Experiment (TOGA COARE) in the tropical western Pacific ocean to study the relevant mechanisms producing diurnal variation of precipitation. They found that the diurnal Sea surface temperature (SST) cycle is important for afternoon showers in the undisturbed periods and diurnal radiative processes for nocturnal rainfall. Cloud resolving models (CRMS) have been used to determine the mechanisms associated with diurnal variation of precipitating processes. CRMs allow explicit cloud-radiation and air-sea interactive processes. However, CRMs can be only used for idealized simulations (i.e., no feedback between clouds and their embedded large-scale environments; cyclic lateral boundary conditions and idealized initial conditions). In this study, the Penn State/NCAR Mesoscale Model (MM5) with improved physics (i.e., cloud microphysics, radiation, land-soil-vegetation-surface processes, and TOGA COARE flux scheme) and a multiple level nesting technique (covers the TOGA COARE LSA/IFA with a 54 km grid and can nest down to 18, 6 and possibly even 2 km) will be adopted for studying the diurnal variations of rainfall. We will examine precipitation processes over open ocean and over land. We will also perform sensitivity tests to determine how the radiative forcing and diurnal SST cycle affects the development of convection.

Tao, W.-K.↗
NASA NTRS1993

Three dimensional modeling of cirrus during the 1991 FIRE IFO 2: Detailed process study

A three-dimensional model of cirrus cloud formation and evolution, including microphysical, dynamical, and radiative processes, was used to simulate cirrus observed in the FIRE Phase 2 Cirrus field program (13 Nov. - 7 Dec. 1991). Sulfate aerosols, solution drops, ice crystals, and water vapor are all treated as interactive elements in the model. Ice crystal size distributions are fully resolved based on calculations of homogeneous freezing of solution drops, growth by water vapor deposition, evaporation, aggregation, and vertical transport. Visible and infrared radiative fluxes, and radiative heating rates are calculated using the two-stream algorithm described by Toon et al. Wind velocities, diffusion coefficients, and temperatures were taken from the MAPS analyses and the MM4 mesoscale model simulations. Within the model, moisture is transported and converted to liquid or vapor by the microphysical processes. The simulated cloud bulk and microphysical properties are shown in detail for the Nov. 26 and Dec. 5 case studies. Comparisons with lidar, radar, and in situ data are used to determine how well the simulations reproduced the observed cirrus. The roles played by various processes in the model are described in detail. The potential modes of nucleation are evaluated, and the importance of small-scale variations in temperature and humidity are discussed. The importance of competing ice crystal growth mechanisms (water vapor deposition and aggregation) are evaluated based on model simulations. Finally, the importance of ice crystal shape for crystal growth and vertical transport of ice are discussed.

Jensen, Eric J.↗
DOE OSTI2025

Phase-field modeling of radiation-induced composition redistribution: An application to additively manufactured austenitic Fe–Cr–Ni

Multicomponent alloys undergoing irradiation damage develop radiation-induced composition redistribution at point defect sinks such as grain boundaries (GBs) and dislocations. Such redistribution results in undesired changes to their mechanical behavior and corrosion resistance. Additively manufactured alloys proposed for future nuclear applications are expected to demonstrate a distinct response to irradiation owing to their unique microstructure with as-solidified dislocation density and chemical microsegregation. To capture the composition redistribution in such systems, we develop a mesoscale model with coupled evolution of atomic and point defect components in the presence of dislocation density, dislocation heterogeneity, and thermodynamic interactions at the GB. The model is parameterized for an FCC Fe–Cr–Ni alloy as a representative system for austenitic stainless steels, and simulations are performed in 1D and 2D as a function of irradiation temperature, dose, dislocation density, and grain size. Radiation-induced segregation (RIS) characterized by Cr depletion and Ni enrichment is predicted at both the GB and the dislocation cell wall, with RIS being lower in magnitude but wider at the cell wall. Strongly biased absorption of self-interstitials by dislocations is found to suppress Ni enrichment but slightly enhance Cr depletion under certain conditions. Thermodynamic segregation at the GB is predicted to be narrower and opposite in sign to RIS for both Cr and Ni. Importantly, non-monotonic segregation is found to occur when both thermodynamic and RIS mechanisms are considered, providing a novel physical interpretation of experimental observations. The model is expected to serve as a key tool in accelerated qualification of irradiated materials.

additively manufactured microstructure↗
NASA NTRS2000

Long-term Global Morphology of Gravity Wave Activity Using UARS Data

This quarter was largely devoted to a detailed study of temperature data acquired by the Cryogenic Limb Array Etalon Spectrometer (CLAES) on UARS. Our analysis used the same sequence of methods that have been developed, tested and refined on a more limited subset of temperature data acquired by the CRISTA instrument. We focused on a limited subset of our reasoning that geographical and vertical trends in the small-scale temperature variability could be compared with similar trends observed in November 1994 by the CRISTA-SPAS satellite. Results, backed up with hindcasts from the Mountain Wave Forecast Model (MWFM), reveal strong evidence of mountain waves, most persuasively in the Himalayas on 16-17 November, 1992. These CLAES results are coherent over the 30-50 km range and compare well with MWFM hindcasts for the same period. This constitutes, we believe, the first clear evidence that CLAES explicitly resolved long wavelength gravity waves in its CO2 temperature channel. A series of other tasks, related to mesoscale modeling of mountain waves in CRISTA data and fitting of ground-based and HRDI data on global scales, were seen through to publication stage in peer-reviewed journals.

Eckermann, Stephen D.↗
NASA NTRS2003

A Physical Model to Determine Snowfall over Land by Microwave Radiometry

Because microwave brightness temperatures emitted by snow covered surfaces are highly variable, snowfall above such surfaces is difficult to observe using window channels that occur at low frequencies (v less than 100 GHz). Furthermore, at frequencies v less than or equal to 37 GHz, sensitivity to liquid hydrometeors is dominant. These problems are mitigated at high frequencies (v greater than 100 GHz) where water vapor screens the surface emission and sensitivity to frozen hydrometeors is significant. However the scattering effect of snowfall in the atmosphere at those higher frequencies is also impacted by water vapor in the upper atmosphere. This work describes the methodology and results of physically-based retrievals of snow falling over land surfaces. The theory of scattering by randomly oriented dry snow particles at high microwave frequencies appears to be better described by regarding snow as a concatenation of equivalent ice spheres rather than as a sphere with the effective dielectric constant of an air-ice mixture. An equivalent sphere snow scattering model was validated against high frequency attenuation measurements. Satellite-based high frequency observations from an Advanced Microwave Sounding Unit (AMSU-B) instrument during the March 5-6, 2001 New England blizzard were used to retrieve snowfall over land. Vertical distributions of snow, temperature and relative humidity profiles were derived from the Pennsylvania State University-National Center for Atmospheric Research (PSU-NCAR) fifth-generation Mesoscale Model (MM5). Those data were applied and modified in a radiative transfer model that derived brightness temperatures consistent with the AMSU-B observations. The retrieved snowfall distribution was validated with radar reflectivity measurements obtained from the National Oceanic and Atmospheric Administration (NOAA) National Weather Service (NWS) ground-based radar network.

Skofronick-Jackson, G.↗
NASA NTRS2004

Regional Scale Meteorological Analysis and Prediction Using GPS Occultation and EOS Data

The main objective of the research under this award is to improve regional meteorological analysis and prediction for traditionally data limited regions, particularly over the Southern Ocean and Antarctica, using the remote sensing observations from current and upcoming GPS radio occultation missions and the EOS instrument suite. The major components of this project are: 1.Develop and improve the methods for retrieving temperature, moisture, and pressure profiles from GPS radio occultation data and EOS radiometer data. 2. Develop and improve a regional scale data assimilation system (MM5 4DVAR). 3. Perform case studies involving data analysis and numerical modeling to investigate the impact of different data for regional meteorological analysis and the importance of data assimilation for regional meteorological simulation over the Antarctic region. 4. Apply the findings and improvements from the above studies to weather forecasting experiments. 5. In the third year of the award we made significant progress toward the remaining goals of the project. The work included carefully evaluating the performance of an atmospheric mesoscale model, the Polar MM5 in Antarctic applications and improving the upper boundary condition.

Bromwich, David H.↗
NASA NTRSDate not supplied

Boundary-Layer Cloud Modeling Challenges on the North Slope of Alaska

The accurate modeling and prediction of cloud base heights is critical for energy balance calculations and aviation operations, alike. Low-level (i.e., boundary-layer) Arctic clouds can be difficult to model, making prediction of formation and dissipation challenging. Primarily mixed-phase, these clouds typically contain low quantities of supercooled liquid water and often slowly precipitate relatively small amounts of moderately and heavily rimed snow particles. While this appears to be the predominant cloudy state on the North Slope of Alaska (NSA), the delicate balance of microphysical, dynamical, radiative, surface coupling, and advective processes can rapidly shift to heavy snow (with various degrees of riming) or to a complete dissipation of the cloud layer without any precipitation, depending on the dominant processes. Here we strive to disentangle these various processes. First, we compare the predictive performances of four different numerical weather models in forecasting the presence and base-heights of low-level clouds: the High-Resolution Rapid Refresh - Alaska (HRRR-AK) model, the Polar Weather Research and Forecasting (Polar WRF) model, the Unified Model (UM), and the European Centre for Medium-range Weather Forecasting (ECMWF) model. Initial results comparing model output at two U.S. Department of Energy Atmospheric Radiation Measurement (AMT) NSA sites, during the fall season in 2019 and 2022, show that the UM slightly outperforms the HRRR-AK in terms of accurately forecasting the presence of a low-level cloud layer (89% of the time). All models have a significant bias of 300 to 800 meters in forecasting cloud base height (lower than is observed); however, the UM and ECMWF models have the lowest biases. Finally, a case study for a particularly challenging April 2017 thin-cloud event is presented, wherein we compare the performance of four different bulk microphysical parameterization schemes using a higher-resolution large eddy simulation (LES) model, the WRF-LES. Initial results show that the Thompson scheme was the only one able to reproduce and sustain a substantial supercooled liquid layer, but it was unable to reproduce the transition from a deep, liquid-rich cloud to a thin layer with moderately and heavily rimed precipitation. This is the first step in linking simulated LES-scale riming processes with those parameterized at a coarser mesoscale model scale. This has important implications for forecasting low-level clouds in an operational environment, given the efficiency of the riming process.

cloud base heights↗
NASA NTRS2009

Modeling and Observational Framework for Diagnosing Local Land-Atmosphere Coupling on Diurnal Time Scales

Land-atmosphere interactions play a critical role in determining the diurnal evolution of both planetary boundary layer (PBL) and land surface temperature and moisture states. The degree of coupling between the land surface and PBL in numerical weather prediction and climate models remains largely unexplored and undiagnosed due to the complex interactions and feedbacks present across a range of scales. Further, uncoupled systems or experiments (e.g., the Project for Intercomparison of Land Parameterization Schemes, PILPS) may lead to inaccurate water and energy cycle process understanding by neglecting feedback processes such as PBL-top entrainment. In this study, a framework for diagnosing local land-atmosphere coupling is presented using a coupled mesoscale model with a suite of PBL and land surface model (LSM) options along with observations during field experiments in the U. S. Southern Great Plains. Specifically, the Weather Research and Forecasting (WRF) model has been coupled to the Land Information System (LIS), which provides a flexible and high-resolution representation and initialization of land surface physics and states. Within this framework, the coupling established by each pairing of the available PBL schemes in WRF with the LSMs in LIS is evaluated in terms of the diurnal temperature and humidity evolution in the mixed layer. The co-evolution of these variables and the convective PBL is sensitive to and, in fact, integrative of the dominant processes that govern the PBL budget, which are synthesized through the use of mixing diagrams. Results show how the sensitivity of land-atmosphere interactions to the specific choice of PBL scheme and LSM varies across surface moisture regimes and can be quantified and evaluated against observations. As such, this methodology provides a potential pathway to study factors controlling local land-atmosphere coupling (LoCo) using the LIS-WRF system, which will serve as a testbed for future experiments to evaluate coupling diagnostics within the community.

Santanello, Joseph A., Jr.↗
NASA NTRS2011

Diagnosing the Nature of Land-Atmosphere Coupling During the 2006-7 Dry/Wet Extremes in the U.S. Southern Great Plains

Land-atmosphere interactions play a critical role in determining the diurnal evolution of both planetary boundary layer (PBL) and land surface temperature and moisture states. The degree of coupling between the land surface and PBL in numerical weather prediction and climate models remains largely unexplored and undiagnosed due to the complex interactions and feedbacks present across a range of scales. Further, uncoupled systems or experiments (e.g., the Project for Intercomparison of Land Parameterization Schemes, PILPS) may lead to inaccurate water and energy cycle process understanding by neglecting feedback processes such as PBL-top entrainment. In this study, a framework for diagnosing local land-atmosphere coupling (LoCo) is presented using a coupled mesoscale model with a suite of PBL and land surface model (LSM) options along with observations during the summers of200617 in the U.S. Southern Great Plains. Specifically, the Weather Research and Forecasting (WRF) model has been coupled to NASA's Land Information System (LIS), which provides a flexible and high-resolution representation and initialization of land surface physics and states. A range of diagnostics exploring the links and feedbacks between soil moisture and precipitation are examined for the dry/wet extremes of this region, along with the sensitivity of PBL-LSM coupling to perturbations in soil moisture. As such, this methodology provides a potential pathway to study factors controlling local land-atmosphere coupling (LoCo) using the LIS-WRF system, which is serving as a testbed for LoCo experiments to evaluate coupling diagnostics within the community.

Santanello, Joseph A.↗
NASA NTRS2011

Diagnosing the Nature of Land-Atmosphere Coupling During the 2006-7 Dry/Wet Extremes in the U.S. Southern Great Plains

Land-atmosphere interactions play a critical role in determining the. diurnal evolution of both planetary boundary layer (PBL) and land surface temperature and moisture states. The degree of coupling between the land surface and PBL in numerical weather prediction and climate models remains largely unexplored and undiagnosed due to the complex interactions and feedbacks present across a range of scales. Further, uncoupled systems or experiments (e.g., the Project for Intercomparison of Land Parameterization Schemes, PILPS) may lead to inaccurate water and energy cycle process understanding by neglecting feedback processes such as PBL-top entrainment. In this study, a framework for diagnosing local land-atmosphere coupling (LoCo) is presented using a coupled mesoscale model with a suite of PBL and land surface model (LSM) options along with observations during the summers of 200617 in the U.S. Southern Great Plains. Specifically, the Weather Research and Forecasting (WRF) model has been coupled to NASA's Land Information System (LIS), which provides a flexible and high-resolution representation and initialization of land surface physics and states. A range of diagnostics exploring the links and feedbacks between soil moisture and precipitation are examined for the dry/wet extremes of this region, along with the sensitivity of PBL-LSM coupling to perturbations in soil moisture. As such, this methodology provides a potential pathway to study factors controlling local land-atmosphere coupling (LoCo) using the LIS-WRF system, which is serving as a testbed for LoCo experiments to evaluate coupling diagnostics within the community.

Santanello, Joseph A., Jr.↗
NASA NTRS1997

Evaluating and Understanding Parameterized Convective Processes and their Role in the Development of Mesoscale Precipitation Systems

Research efforts during the second year have centered on improving the manner in which convective stabilization is achieved in the Penn State/NCAR mesoscale model MM5. Ways of improving this stabilization have been investigated by (1) refining the partitioning between the Kain-Fritsch convective parameterization scheme and the grid scale by introducing a form of moist convective adjustment; (2) using radar data to define locations of subgrid-scale convection during a dynamic initialization period; and (3) parameterizing deep-convective feedbacks as subgrid-scale sources and sinks of mass. These investigations were conducted by simulating a long-lived convectively-generated mesoscale vortex that occurred during 14-18 Jul. 1982 and the 10-11 Jun. 1985 squall line that occurred over the Kansas-Oklahoma region during the PRE-STORM experiment. The long-lived vortex tracked across the central Plains states and was responsible for multiple convective outbreaks during its lifetime.

Fritsch, J. Michael↗
DOE OSTI2025

Linking Pressure to Electrochemical Evolution in Solid-State Conversion Cathode Composites

Conversion-type cathodes, such as sulfur, FeS 2 , and FeF 3 , offer high theoretical capacities in solid-state lithium batteries but are hindered by substantial volume changes during cycling, leading to interfacial contact loss, crack formation, and microstructural degradation. Here, we investigate the relationships between electrochemical, mechanical, and structural evolution in solid-state electrode composites with these three active materials. Using real-time stack-pressure monitoring, synchrotron X-ray absorption spectroscopy, and electrokinetic modeling, we elucidate how stress evolution is linked to reversible and irreversible redox reactions. Nonlinear stack pressure evolution in cells with sulfur, FeS 2 , and FeF 3 electrode composites is found to arise from material-specific volume changes, the balance of volume change between the working and counter electrode, and the formation of distinct reaction intermediates. The three materials exhibit distinct stack pressure evolution, which is closely related to the different reaction processes in the materials, as demonstrated with X-ray absorption spectroscopy measurements. Through mesoscale modeling, we relate the experimental measurements to species evolution at the particle scale and track the dynamic coexistence of intermediate phases. Our findings highlight the importance of designing for volume changes of a given active material in solid-state battery systems.

batteries↗
NASA NTRS2008

Evaluating Mars Science Laboratory Landing Sites with the Mars Global Reference Atmospheric Model (Mars-GRAM 2005)

The Mars Global Reference Atmospheric Model (Mars-GRAM) is an engineering-level atmospheric model widely used for diverse mission applications. Mars-GRAM s perturbation modeling capability is commonly used, in a Monte-Carlo mode, to perform high fidelity engineering end-to-end simulations for entry, descent, and landing (EDL) [1]. From the surface to 80 km altitude, Mars-GRAM is based on the NASA Ames Mars General Circulation Model (MGCM). Mars-GRAM and MGCM use surface topography from Mars Global Surveyor Mars Orbiter Laser Altimeter (MOLA), with altitudes referenced to the MOLA areoid, or constant potential surface. Traditional Mars-GRAM options for representing the mean atmosphere along entry corridors include: (1) Thermal Emission Spectrometer (TES) mapping years 1 and 2, with Mars-GRAM data coming from NASA Ames Mars General Circulation Model (MGCM) results driven by observed TES dust optical depth or (2) TES mapping year 0, with user-controlled dust optical depth and Mars-GRAM data interpolated from MGCM model results driven by selected values of globally-uniform dust optical depth. Mars-GRAM 2005 has been validated [2] against Radio Science data, and both nadir and limb data from TES [3]. There are several new features included in Mars-GRAM 2005. The first is the option to use input data sets from MGCM model runs that were designed to closely simulate conditions observed during the first two years of TES observations at Mars. The TES Year 1 option includes values from April 1999 through January 2001. The TES Year 2 option includes values from February 2001 through December 2002. The second new feature is the option to read and use any auxiliary profile of temperature and density versus altitude. In exercising the auxiliary profile Mars-GRAM option, values from the auxiliary profile replace data from the original MGCM databases. Some examples of auxiliary profiles include data from TES nadir or limb observations and Mars mesoscale model output at a particular location and time. The final new feature is the addition of two Mars-GRAM parameters that allow standard deviations of Mars-GRAM perturbations to be adjusted. The parameter rpscale can be used to scale density perturbations up or down while rwscale can be used to scale wind perturbations.

Justh, H. L.↗