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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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At least 235 records · Page 13

BOREAS RSS-8 BIOME-BGC SSA Simulation of Annual Water and Carbon Fluxes

The BOREAS RSS-8 team performed research to evaluate the effect of seasonal weather and landcover heterogeneity on boreal forest regional water and carbon fluxes using a process-level ecosystem model, BIOME-BGC, coupled with remote sensing-derived parameter maps of key state variables. This data set contains derived maps of landcover type and crown and stem biomass as model inputs to determine annual evapotranspiration, gross primary production, autotrophic respiration, and net primary productivity within the BOREAS SSA-MSA, at a 30-m spatial resolution. Model runs were conducted over a 3-year period from 1994-1996; images are provided for each of those years. The data are stored in binary image format. The data files are available on a CD-ROM (see document number 20010000884), or from the Oak Ridge National Laboratory (ORNL) Distributed Active Archive Center (DAAC).

Hall, Forrest G.↗

Quantifying Grassland-to-Woodland Transitions and the Implications for Carbon and Nitrogen Dynamics in the Southwest United States

Replacement of grasslands and savannas by shrublands and woodlands has been widely reported in tropical, temperate and high-latitude rangelands worldwide (Archer 1994). These changes in vegetation structure may reflect historical shifts in climate and land use; and are likely to influence biodiversity, productivity, above- and below ground carbon and nitrogen sequestration and biophysical aspects of land surface-atmosphere interactions. The goal of our proposed research is to investigate how changes in the relative abundance of herbaceous and woody vegetation affect carbon and nitrogen dynamics across heterogeneous savannas and shrub/woodlands. By linking actual land-cover composition (derived through spectral mixture analysis of AVIRIS, TM, and AVHRR imagery) with a process-based ecosystem model, we will generate explicit predictions of the C and N storage in plants and soils resulting from changes in vegetation structure. Our specific objectives will be to (1) continue development and test applications of spectral mixture analysis across grassland-to-woodland transitions; (2) quantify temporal changes in plant and soil C and N storage and turnover for remote sensing and process model parameterization and verification; and (3) couple landscape fraction maps to an ecosystem simulation model to observe biogeochemical dynamics under changing landscape structure and climatological forcings.

Wessman, Carol A.↗

Evidence for Interhemispheric Coupling during the Unusual Northern Polar Summer Mesosphere of 2002

Data from the MaCWAVE MIDAS Rocket Program launched during July, 2002, from Andoya Rocket Range (ARR) in Norway have demonstrated that the temperature structure of the summer polar mesosphere during this period was atypical, at least above ARR. The summer polar mesopause region was warmer than normal and of shorter duration than for other years analyzed. Theoretical studies have since been published that imply that the abnormal characteristics of this polar summer were generated by unusual dynamical processes occurring in the southern polar winter hemisphere. We have used data from the SABER instrument aboard the NASA TIMED Satellite to study these characteristics on a global scale and compare them with the features observed in the ensuing seven years. For background, The TIMED Satellite was launched on December 7, 2001 to study the dynamics and energy of the mesosphere and lower thermosphere (MLT). The SABER instrument on TIMED is a limb scanning infrared radiometer designed to measure a large number of minor constituents as well as temperature of the MLT. In this study, we have investigated the temperature characteristics of the polar mesosphere as a function of spatial and temporal considerations. We have used the most recent SABER dataset (1.07) that includes the improved temperature retrievals in Earth polar regions, Weekly averages were used 10 make the comparisons between the winter and summer hemispheres. The unusually short polar summer in the northern hemisphere during 2002 is clearly defined by this analysis and is shown to be unique for the 7 years analyzed. Furthermore, the data analysis agrees with recent theoretical studies showing that this behavior is a result of anomalous heating events in the southern polar stratosphere. The time sequence of the coupling process, as predicted by recent theoretical models, is well defined in a sequence of weekly temperature contour maps measured by SABER.

Goldberg, Richard A.↗

Evolving HPC and Application Design Toward a Coupled Data Assimilation System at NASA Suitable for Emerging Exascale Platforms

The prediction capabilities of global models have continuously evolved from the traditional medium-range global weather prediction application to span scales in support of hourly prediction of convective scale storms to seasonal Earth system prediction. This evolution has increased the demands on the system infrastructure design and workflow to achieve the required performance on modern high-performance computing (HPC) platforms. The planned evolution of the Goddard Earth Observing System (GEOS) modeling and assimilation system will stress the capabilities of conventional HPC overwhelming the available compute cycles at the NASA Center for Climate Simulation (NCCS) at the NASA Goddard Space Flight Center in the coming 5-10 years. This has led to the re-design of key elements of the assimilation and modeling systems to achieve significant gains in performance on anticipated Exacale platforms. The transition of the assimilation system to the Joint Effort for Data assimilation Integration (JEDI) framework has positioned GEOS to exploit new efficient algorithms for data assimilation (DA) in a fully-coupled Earth system context. The suitability of the GEOS model to leverage a domain specific language (DSL) approach and artificial intelligence (AI) is being explored to accelerate computational performance and data exchange efficiency of the coupled Earth system model. The storage and processing of large data volumes produced by these advance systems is being redesigned with a data-centric cloud-based approach. We will highlight the recent efforts in these areas and emphasize the demand for further development and re-design to achieve the science objectives in support of NASA's Earth system modeling and assimilation missions.

Putman, Bill↗

Why Atmospheric Backscatter Is Important in the Formation of Electron Precipitation in the Diffuse Aurora

In addition to wave particle scattering in the magnetosphere, atmospheric backscatter of magnetospheric electrons is an important process that contributes to the formation of the precipitated electrons in the region of diffuse aurora. Two magnetically conjugate regions are involved in a complex magnetosphere-ionosphere (MI) particle and energy interplay. Based on synthesizing previous theoretical/modeling studies and experimental evidence, we demonstrate the need for improving the quantification of magnetospheric electrons backscatter processes that can affect inner magnetospheric electrodynamics, transport and loss in a way that is not easily predicted. We discuss how these complex and energy-dependent MI coupled processes can be treated in magnetospheric modeling.

diffuse aurora↗

Perspective on Satellite-Based Land Data Assimilation to Estimate Water Cycle Components in an Era of Advanced Data Availability and Model Sophistication

The beginning of the 21st century is marked by a rapid growth of land surface satellite data and model sophistication. This offers new opportunities to estimate multiple components of the water cycle via satellite-based land data assimilation (DA) across multiple scales. By resolving more processes in land surface models and by coupling the land, the atmosphere, and other Earth system compartments, the observed information can be propagated to constrain additional unobserved variables. Furthermore, access to more satellite observations enables the direct constraint of more and more components of the water cycle that are of interest to end users. However, the finer level of detail in models and data is also often accompanied by an increase in dimensions, with more state variables, parameters, or boundary conditions to estimate, and more observations to assimilate. This requires advanced DA methods and efficient solutions. One solution is to target specific observations for assimilation based on a sensitivity study or coupling strength analysis, because not all observations are equally effective in improving subsequent forecasts of hydrological variables, weather, agricultural production, or hazards through DA. This paper offers a perspective on current and future land DA development, and suggestions to optimally exploit advances in observing and modeling systems.

Data Assimilation↗

A coupled equilibrium boundary layer model with stable water isotopes and its application to local water recycling

The contribution of evapotranspiration (ET) to regional precipitation, known as “local water recycling”, is a key process in the water cycle that can affect water management. However, the amount of planetary boundary layer (PBL) moisture that arises from ET is highly uncertain due to complex atmosphere and land surface conditions. In this study, an idealized two-layer equilibrium boundary layer model was coupled with a stable water isotope module including HDO and H 2 18 O to constrain PBL growing season water transport processes. The model was validated using turbulent heat fluxes and isotope ratios of water vapor (δ m ) and precipitation (δ P ) measured at a cropland site and a nearby tall tower in the Upper Midwest, United States. The results show that the PBL equilibrium features of δ m and δ P are well-constrained by thermal and moisture equilibrium in the PBL. For this study region, the summer values of rain evaporation fraction (f) and local water recycling ratio (LRR) are estimated to be 0.09 and 0.29 ± 0.12, respectively. The summer LRR values for the years 2006–2010 were 0.35, 0.36, 0.17, 0.29, and 0.29, respectively. The small value of LRR in 2008 corresponded to a drought condition with the lowest precipitation and second lowest ET among the five years. The summer magnitude of the amount effect is –2.8‰ (mm day –1 ) –1 and –0.8‰ (mm day –1 ) –1 for HDO and H 2 18 O, respectively. The local water recycling is identified as a significant factor influencing the continental isotope effect. Cropland has likely changed the regional LRR by –7.6 to 19.5% under different pre-agriculture land use scenarios. In conclusion, the feedback processes revealed here indicate that local water recycling is expected to be weakened under drought conditions, but it will be enhanced if irrigation is applied more intensely with more frequent drought events as the climate continues to warm.

54 ENVIRONMENTAL SCIENCES↗

Evaluation Of Glass Density to Support the Estimation of Fissile Mass Loadings in Sludge Batch 10 Glasses

Per a directive from the Department of Energy Savannah River Operations Office (DOE-SR) in 2008, the fissile mass loading concentration must remain below 897 g/m 3 in each high-level waste (HLW) glass canister produced by the Defense Waste Processing Facility (DWPF). To support Sludge Batch 5 (SB5) processing, the Savannah River National Laboratory (SRNL) developed a technical basis that facilitates the evaluation of fissile mass loading of the glass product. The calculation is based on the iron (Fe) concentration in the glass as determined by measurements from the Slurry Mix Evaporator acceptability analysis as well as the glass density. In April 2022, a subsequent DOE-SR directive increased the fissile mass loading limit to 2500 g/m 3 beginning with Sludge Batch 11. Thus, the 897 g/m 3 limit still applies to Sludge Batch 10 (SB10) processing. For SB5 through initial Sludge Batch 9 (SB9) processing prior to coupled operation with the Salt Waste Processing Facility (SWPF), SRNL provided DWPF a bounding glass density value that was based on a statistical evaluation of density measurements. To eliminate the need for experimental work, a composition-based density model for HLW glasses was developed at SRNL in 2019. The objective of this report is to present the bounding glass density determined with the composition-based density model for SB10 sludge-only (SO) and coupled processing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Spectroscopic and Dynamical Studies of Highly Energized Small Polyatomic Molecules (End-of-Grant Report)

The aim of this research program has been to develop models for qualitative and quantitative understanding of complex processes in small molecules, such as vibronic coupling, predissociation, photodissociation, and isomerization. Simple models capture physical insights and lead to intuitive ideas that can enlighten a broad array of problems. Numerical fits can provide predictive power, but rarely impart insights into the underlying mechanisms responsible for the observed phenomena. This DOE supported program has prioritized a quantum mechanical understanding over a perfect numerical fit of spectra. Finding few-parameter models, when those parameters have physical meaning, allows the insights gained from one problem to be easily applied to related problems in other systems. The systems that have been under investigation include atmospherically relevant sulfur-containing compounds, various unimolecular dynamical processes of electronically excited acetylene, and the rovibrational dynamics of formaldehyde and SO 2 .

74 ATOMIC AND MOLECULAR PHYSICS↗

Coupled Gas-Exchange Model for C4 Leaves Comparing Stomatal Conductance Models

Plant simulation models are abstractions of plant physiological processes that are useful for investigating the responses of plants to changes in the environment. Because photosynthesis and transpiration are fundamental processes that drive plant growth and water relations, a leaf gas-exchange model that couples their interdependent relationship through stomatal control is a prerequisite for explanatory plant simulation models. Here, we present a coupled gas-exchange model for C4 leaves incorporating two widely used stomatal conductance submodels: Ball–Berry and Medlyn models. The output variables of the model includes steady-state values of CO2 assimilation rate, transpiration rate, stomatal conductance, leaf temperature, internal CO2 concentrations, and other leaf gas-exchange attributes in response to light, temperature, CO2, humidity, leaf nitrogen, and leaf water status. We test the model behavior and sensitivity, and discuss its applications and limitations. The model was implemented in Julia programming language using a novel modeling framework. Our testing and analyses indicate that the model behavior is reasonably sensitive and reliable in a wide range of environmental conditions. The behavior of the two model variants differing in stomatal conductance submodels deviated substantially from each other in low humidity conditions. The model was capable of replicating the behavior of transgenic C4 leaves under moderate temperatures as found in the literature. The coupled model, however, underestimated stomatal conductance in very high temperatures. This is likely an inherent limitation of the coupling approaches using Ball–Berry type models in which photosynthesis and stomatal conductance are recursively linked as an input of the other.

59 BASIC BIOLOGICAL SCIENCES↗

Coupled Charge and Radiation Transport Processes in Thermophotovoltaic and Thermoradiative Cells

Accurate modeling of charge transport and both thermal and luminescent radiation is crucial to the understanding and design of radiative thermal energy converters. Charge-carrier dynamics in semiconductors are well-described by the Poisson-drift-diffusion equations, and thermal radiation in emitter-absorber structures can be computed using multilayer fluctuational electrodynamics. These two types of energy flows interact through radiation absorption or luminescence and charge-carrier generation or recombination. However, past research has typically only assumed limited interaction, with thermal radiation absorption as an input for charge-carrier models to predict device performance. To examine this assumption, we develop a fully coupled iterative model of charge and radiation transport in semiconductor devices, and we use our model to analyze near-field and far-field GaSb thermophotovoltaic and thermoradiative systems. By comparing our results with past methods that do not consider cross-influences between charge and radiation transport, we find that a fully coupled approach is necessary to accurately model photon recycling and near-field enhancement of external luminescence. As these effects can substantially alter device performance, our modeling approach can aid in the design of efficient thermophotovoltaic and thermoradiative systems.

30 DIRECT ENERGY CONVERSION↗

A fast and robust computational modeling approach for density and shape predictions in powder metallurgy hot isostatic pressing

Powder metallurgy hot isostatic pressing (PM-HIP) is an advanced manufacturing process that produces near-net-shape parts with high material utilization and uniform microstructures. PM-HIP is frequently used for producing small-scale parts with complicated geometries and is potentially economical for producing large-scale parts. However, excessive post-HIP shape distortions can reduce its effectiveness and economic advantage, especially for larger parts. A PM-HIP computational model can predict and help mitigate these distortions. However, due to complex deformation mechanisms and thermo-mechanical coupling present in PM-HIP processes, these non-linear computational models sometimes become numerically unstable. The numerical instabilities in these models can lead to very slow convergence or no convergence at all, which often translates to slow and unreliable models. These limitations are more pronounced in large models with complicated geometries. Hence, in this work, an alternative modeling approach is presented that improves numerical stability and computational performance. The presented approach achieves these improvements through approximating the fully coupled thermo-mechanical PM-HIP model as a decoupled model and adding inertial damping to the model’s mechanical part. In conclusion, a comparison with the fully coupled model indicated a slight dip in prediction accuracy (<5% error) but significant improvements in numerical stability (>20 times larger time step size) and computational performance (5-10 times speed-up with less computational resource usage) when using the presented approach.

Hot isostatic pressing↗

Computational Modeling of Battery Materials

This chapter provides a broad overview of the various computational modeling techniques used to gain fundamental insights into coupled electrochemical processes that occur in battery materials at electronic-to-mesoscopic scales. Furthermore, representative successes of these techniques in modeling electrodes, electrolytes, and electrode-electrolyte interfaces are highlighted to establish the current state-of-the-art in the field.

25 ENERGY STORAGE↗

Preform Characterization in VARTM Process Model Development

Vacuum-Assisted Resin Transfer Molding (VARTM) is a Liquid Composite Molding (LCM) process where both resin injection and fiber compaction are achieved under pressures of 101.3 kPa or less. Originally developed over a decade ago for marine composite fabrication, VARTM is now considered a viable process for the fabrication of aerospace composites (1,2). In order to optimize and further improve the process, a finite element analysis (FEA) process model is being developed to include the coupled phenomenon of resin flow, preform compaction and resin cure. The model input parameters are obtained from resin and fiber-preform characterization tests. In this study, the compaction behavior and the Darcy permeability of a commercially available carbon fabric are characterized. The resulting empirical model equations are input to the 3- Dimensional Infiltration, version 5 (3DINFILv.5) process model to simulate infiltration of a composite panel.

Grimsley, Brian W.↗

2021 Summer SPE Project

SPE is a project in order to develop new, more physics-based, seismic models of explosions (see Nelson et al. 2013). One key component of this effort is numerical modeling enabled by modern state-of-art code/software. Accurate modeling of the shape and amplitude of seismic waves from their generation to their propagation to remote monitoring seismic stations is important to our ability to determine the origin and strength of the source from remote recording. In this project, the modeling is performed by coupling two codes HOSS and SPECFEM3D. HOSS models the dynamic nonlinear processes happening near the explosion. SPECFEM3D computes the propagation of seismic waves as they travel through 3D complex Earth models. SPECFEM3D was modified in order to be driven by a set of time-series calculated by HOSS in lieu of a seismic source. The goal of this summer project is the investigation of several questions pertinent to the establishment of a full end-to-end modeling capability from the high-rate strain regime area to remote distances where seismic station record seismic waves generated by explosions. The investigated questions are: (1) How to perform proper filtering? Direct-solution modeling only sustains a limited range of frequency depending on the grid size. As we go from one modeling domain to the other via coupling, the mesh size is getting coarser to allow modeling at large scale but also to account for the fact that high-frequency waves do not physically travel to large distances. So filtering of the time-series generated by the near-field hydrodynamic modeling is a current practice often employed but its effects on the modeled waveforms has to be investigated. (2) Quantitative assessment of the efficiency of attenuation to remove high-frequency content of the wavefield. This assessment will allow to create meshes with a grid size appropriate to the actual physics of wave propagation for a given explosion. (3) Checking that the coupling process and the two codes respect the cylindrical symmetry that is expected in the case of a pure explosion in a half-space. (4) The effect of the state-of-stress in the near-source area on the modeled seismic waveforms. These questions will be investigated through the modeling of SPE-4P, the fourth explosion of this series because it was designed to have little interaction with the geologic surrounding and the free surface of the Earth so that it is the most explosion-like experiment, with the most symmetries to be verified.

58 GEOSCIENCES↗

Autonomous x-ray scattering

Autonomous experimentation (AE) is an emerging paradigm that seeks to automate the entire workflow of an experiment, including—crucially—the decision-making step. Beyond mere automation and efficiency, AE aims to liberate scientists to tackle more challenging and complex problems. We describe our recent progress in the application of this concept at synchrotron x-ray scattering beamlines. We automate the measurement instrument, data analysis, and decision-making, and couple them into an autonomous loop. We exploit Gaussian process modeling to compute a surrogate model and associated uncertainty for the experimental problem, and define an objective function exploiting these. We provide example applications of AE to x-ray scattering, including imaging of samples, exploration of physical spaces through combinatorial methods, and coupling to in situ processing platforms These uses demonstrate how autonomous x-ray scattering can enhance efficiency, and discover new materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Addition of Electrostatic Forces to EDEM with Applications to Triboelectrically Charged Particles

Tribocharging of particles is common in many processes including fine powder handling and mixing, printer toner transport and dust extraction. In a lunar environment with its high vacuum and lack of water, electrostatic forces are an important factor to consider when designing and operating equipment. Dust mitigation and management is critical to safe and predictable performance of people and equipment. The extreme nature of lunar conditions makes it difficult and costly to carryout experiments on earth which are necessary to better understand how particles gather and transfer charge between each other and with equipment surfaces. DEM (Discrete Element Modeling) provides an excellent virtual laboratory for studying tribocharging of particles as well as for design of devices for dust mitigation and for other purposes related to handling and processing of lunar regolith. Theoretical and experimental work has been performed pursuant to incorporating screened Coulombic electrostatic forces into EDEM Tm, a commercial DEM software package. The DEM software is used to model the trajectories of large numbers of particles for industrial particulate handling and processing applications and can be coupled with other solvers and numerical models to calculate particle interaction with surrounding media and force fields. In this paper we will present overview of the theoretical calculations and experimental data and their comparison to the results of the DEM simulations. We will also discuss current plans to revise the DEM software with advanced electrodynamic and mechanical algorithms.

Hogue, Michael D.↗

Discrete Element Modeling of Triboelectrically Charged Particles

Tribocharging of particles is common in many processes including fine powder handling and mixing, printer toner transport and dust extraction. In a lunar environment with its high vacuum and lack of water, electrostatic forces are an important factor to consider when designing and operating equipment. Dust mitigation and management is critical to safe and predictable performance of people and equipment. The extreme nature of lunar conditions makes it difficult and costly to carry out experiments on earth which are necessary to better understand how particles gather and transfer charge between each other and with equipment surfaces. DEM (Discrete Element Modeling) provides an excellent virtual laboratory for studying tribocharging of particles as well as for design of devices for dust mitigation and for other purposes related to handling and processing of lunar regolith. Theoretical and experimental work has been performed pursuant to incorporating screened Coulombic electrostatic forces into EDEM, a commercial DEM software package. The DEM software is used to model the trajectories of large numbers of particles for industrial particulate handling and processing applications and can be coupled with other solvers and numerical models to calculate particle interaction with surrounding media and force fields. While simple Coulombic force between two particles is well understood, its operation in an ensemble of particles is more complex. When the tribocharging of particles and surfaces due to frictional contact is also considered, it is necessary to consider longer range of interaction of particles in response to electrostatic charging. The standard DEM algorithm accounts for particle mechanical properties and inertia as a function of particle shape and mass. If fluid drag is neglected, then particle dynamics are governed by contact between particles, between particles and equipment surfaces and gravity forces. Consideration of particle charge and any tribocharging and electric field effects requires calculation of the forces due to these effects.

Hogue, Michael D.↗