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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 199 records · Page 11

Energy Infrastructure Futures: A Multiscale Evaluation of Projected Power Plant Siting Across the Western Interconnection

The US Western Interconnection is facing unprecedented challenges in the form of less predictable peak demand, increasingly diverse generating resources, and fast-growing loads due to the onset of artificial intelligence, hyperscale computing, and electrification. Projecting where future generation may be developed is critical to maintaining a robust and resilient electric grid under this mounting uncertainty and variability. Using an integrated multisectoral, multiscale modeling framework that links a human-Earth systems model, an hourly load model, a geospatial power plant siting model, and an hourly grid operations model, we evaluate the power plant landscape evolution under eight alternative futures between 2020 and 2055. These futures represent a wide but plausible range of atmospheric conditions, emissions constraints, and economic, technological, and population growth assumptions. We find that local-level development can vary substantially both by generation type and capacity buildout across these futures. Specific regions of the Western Interconnection are projected to see large amounts of capacity development regardless of the future scenario. We additionally determine that projected power plant locations are more heavily influenced by the cost to interconnect to the electric grid than the locational energy value.

Mongird, Kendall↗

Influence of misfit dislocations on ionic conductivity at oxide interfaces

Mismatched complex oxide thin films and heterostructures have gained significant traction for use as electrolytes in intermediate temperature solid oxide fuel cells, wherein interfaces exhibit variation in ionic conductivity as compared to the bulk. Although misfit dislocations present at interfaces in these structures impact ionic conductivity, the fundamental mechanisms responsible for this effect are not well understood. To this end, a kinetic lattice Monte Carlo (KLMC) model was developed to trace oxygen vacancy diffusion at misfit dislocations in SrTiO 3 /BaZrO 3 heterostructures and elucidate the atomistic mechanisms governing ionic diffusion at oxide interfaces. The KLMC model utilized oxygen vacancy migration energy barriers computed using molecular statics. While some interfaces promote oxygen vacancy diffusion, others impede their transport. Fundamental factors such as interface layer chemistry, misfit dislocation structure, and starting and ending sites of migrating ions play a crucial role in oxygen diffusivity. Molecular dynamics (MD) simulations were further performed to support qualitative trends for oxygen vacancy diffusion. Overall, the agreement between KLMC and MD is quite good, though MD tends to predict slightly higher conductivities, perhaps a reflection of nuanced structural relaxations that are not captured by KLMC. The current framework comprising KLMC modeling integrated with molecular statics offers a powerful tool to perform mechanistic studies focused on ionic transport in thin film oxide electrolytes and facilitate their rational design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bridging New Observational Capabilities and Process-Level Simulation: Insights into Aerosol Roles in the Earth System

The spatial distribution of ambient aerosol particles significantly impacts aerosol–radiation–cloud interactions, which contribute to the largest uncertainty in global anthropogenic radiative forcing estimations. However, the atmospheric boundary layer and lower free troposphere have not been adequately sampled in terms of spatiotemporal resolution, hindering a comprehensive characterization of various atmospheric processes and impeding our understanding of the Earth system. To address this research data gap, we have leveraged the development of uncrewed aerial systems (UAS) and advanced measurement techniques to obtain mesoscale spatial data on aerosol microphysical and optical properties around the U.S. Southern Great Plains (SGP) atmospheric observatory. Our study also benefits from state-of-the-art laboratory facilities that include three-dimensional molecular imaging techniques enabled by secondary ion mass spectrometry and nanogram-level chemical composition analysis via micronebulization aerosol mass spectrometry. Through our study, we have developed a framework for observation–modeling integration, enabling an examination of how various assumptions about the organic–inorganic components mixing state, inferred from chemical analysis, affect clouds and radiation in observation-constrained model simulations. By integrating observational constraints (derived from offline chemical analysis of the aerosol surface using collected samples) with in situ UAS observations, we have identified a prominent role of organic-enriched nanometer layers located at the surface of aerosol particles in determining profiles of aerosol optical and hygroscopic properties over the SGP observatory. Furthermore, we have improved the agreement between predicted clouds and ground-based cloud lidar measurements. This UAS–model–laboratory integration exemplifies how these new advanced capabilities can significantly enhance our understanding of aerosol–radiation–cloud interactions.

54 ENVIRONMENTAL SCIENCES↗

Recent Progresses in Incorporating Human Land-Water Management into Global Land Surface Models Toward Their Integration into Earth System Models

The global water cycle has been profoundly affected by human land-water management. As the changes in the water cycle on land can affect the functioning of a wide range of biophysical and biogeochemical processes of the Earth system, it is essential to represent human land-water management in Earth system models (ESMs). During the recent past, noteworthy progress has been made in large-scale modeling of human impacts on the water cycle but sufficient advancements have not yet been made in integrating the newly developed schemes into ESMs. This study reviews the progresses made in incorporating human factors in large-scale hydrological models and their integration into ESMs. The study focuses primarily on the recent advancements and existing challenges in incorporating human impacts in global land surface models (LSMs) as a way forward to the development of ESMs with humans as integral components, but a brief review of global hydrological models (GHMs) is also provided. The study begins with the general overview of human impacts on the water cycle. Then, the algorithms currently employed to represent irrigation, reservoir operation, and groundwater pumping are discussed. Next, methodological deficiencies in current modeling approaches and existing challenges are identified. Furthermore, light is shed on the sources of uncertainties associated with model parameterizations, grid resolution, and datasets used for forcing and validation. Finally, representing human land-water management in LSMs is highlighted as an important research direction toward developing integrated models using ESM frameworks for the holistic study of human-water interactions within the Earths system.

biogeochemistry↗

A Satellite Data-Driven, Client-Server Decision Support Application for Agricultural Water Resources Management

Water cycle extremes such as droughts and floods present a challenge for water managers and for policy makers responsible for the administration of water supplies in agricultural regions. In addition to the inherent uncertainties associated with forecasting extreme weather events, water planners need to anticipate water demands and water user behavior in a typical circumstances. This requires the use decision support systems capable of simulating agricultural water demand with the latest available data. Unfortunately, managers from local and regional agencies often use different datasets of variable quality, which complicates coordinated action. In previous work we have demonstrated novel methodologies to use satellite-based observational technologies, in conjunction with hydro-economic models and state of the art data assimilation methods, to enable robust regional assessment and prediction of drought impacts on agricultural production, water resources, and land allocation. These methods create an opportunity for new, cost-effective analysis tools to support policy and decision-making over large spatial extents. The methods can be driven with information from existing satellite-derived operational products, such as the Satellite Irrigation Management Support system (SIMS) operational over California, the Cropland Data Layer (CDL), and using a modified light-use efficiency algorithm to retrieve crop yield from the synergistic use of MODIS and Landsat imagery. Here we present an integration of this modeling framework in a client-server architecture based on the Hydra platform. Assimilation and processing of resource intensive remote sensing data, as well as hydrologic and other ancillary information occur on the server side. This information is processed and summarized as attributes in water demand nodes that are part of a vector description of the water distribution network. With this architecture, our decision support system becomes a light weight 'app' that connects to the server to retrieve the latest information regarding water demands, land use, yields and hydrologic information required to run different management scenarios. Furthermore, this architecture ensures all agencies and teams involved in water management use the same, up-to-date information in their simulations.

Agricultural↗

Progress Towards Goals Outlined in the 2014 Decadal Vision

The Atmospheric Radiation Measurement (ARM) user facility published its first decadal vision document in 2014 (U.S. DOE 2014a). The overarching vision described in that document was to develop an integrated observation-modeling framework to accelerate the application of ARM observations for process studies and model applications.

54 ENVIRONMENTAL SCIENCES↗

A Systems Approach to AI Model Integration and Performance Evaluation for the Generic UAM Simulation Framework

This paper introduces py-guam, an open-source experimentation framework developed for the NASA Generic Urban Air Mobility simulation (GUAM) environment, facilitating the integration and evaluation of advanced artificial intelligence (AI) algorithms. We present a systems approach which enables the seamless incorporation of data-driven models, including off-nominal and failure state detection, into the GUAM’s Cognitive Architecture (CA). The framework supports customizable experimentation parameters, derives Safety Performance Indicators (SPIs) from UL 4600 safety case analyses, and employs rapid UAM simulations to assess AI impacts on flight performance across diverse scenarios. Through comprehensive testing and validation experiments, we demonstrate GUAM’s capability to enhance safety and efficiency in urban air mobility operations. Additionally, the open-source nature of py-guam fosters community collaboration, ensuring continuous improvement and adaptability to evolving technological advancements. This work establishes a robust tool for developing and testing AI-driven urban air mobility (UAM) systems, advancing the safety and reliability of autonomous urban air vehicles.

Artificial Intelligence↗

SICAS, a new integrated divertor-SOL-pedestal-core framework for self-consistent modeling of ion and impurity transport in fusion devices

We present a new framework for core-edge integration studies named SICAS (SOLPS-ITER coupled to ASTRA-STRAHL) which enables high fidelity simulations of the core, edge, and divertor regions encompassing the transport of ions as well as the impurities through the entire plasma domain. SICAS handles the exchanging of the particle and power fluxes as well as transport coefficients to ensure consistency through the codes. An overlapping region is defined from the inside of the separatrix of the plasma to the SOLPS-ITER core boundary allowing for matching profiles and fluxes between the two codes for a self-consistent approach. The results presented here demonstrated the flexibility of SICAS to simulate different configurations, scenarios, divertor geometries, and plasma species with good agreement with DIII-D experimental data. This tool opens new possibilities in integrated modeling of fusion devices integrating all relevant phenomena in the core and the divertor plasmas. These capabilities are required for the interpretation of current experiments as well as the design of new devices.

core-edge integration↗

Thermodynamic control on the decomposition of organic matter across different electron acceptors

The increasing availability of high-resolution characterization of natural organic matter (OM) data has shifted the paradigm of lumped descriptions of OM components and potential microbial activities. Our recent development of a substrate-explicit thermodynamic model uniquely enables incorporating complex OM pools to formulate biogeochemical reaction models based on their elemental compositions. While this previous work facilitates prediction of aerobic respiration of complex OM, it is equally imperative to consider the role of non-oxygenic electron acceptors in regulating OM turnover and the fate of carbon. In this study, we significantly expand our previous model by flexibly incorporating both detailed OM chemistry and electron acceptors other than oxygen. Here, our modeling analysis has revealed substantial variations in the energy status of OM molecules across different soils, which drive the co-occurrence of different electron-accepting processes. We demonstrated the effectiveness of the proposed model using a consistency check with experimental data. Through systematic evaluation of the impact of diverse chemical inputs (both electron donors and acceptors) on OM decomposition, the new model also revealed how key microbial growth parameters such as carbon use efficiency (CUE) and reaction rates vary across different electron-accepting processes. Our model provides a unified framework integrating thermodynamic and kinetic constraints on microbial metabolic activities. It complements traditional kinetic models, which are often designed solely to capture mass fluxes. We conclude that thermodynamic modeling emerges as a powerful tool for describing the mechanisms underlying the interplay between microbial growth and OM chemistry and cycling across different electron acceptors, enhancing our ability to project complex ecosystem behaviors in dynamic environments.

59 BASIC BIOLOGICAL SCIENCES↗

Assessing the Additional Carbon Savings with Biofuel

A recent study claims that corn used for ethanol should not be considered to be inherently biogenically carbon-neutral because not all that corn was grown additional to the level otherwise. By assessing the extent of carbon neutrality of corn for ethanol using the reference point baseline approach and historical data that study concluded that the carbon intensity of US corn ethanol is 27% higher than that of gasoline. We develop a framework to determine the carbon neutrality of corn for ethanol by assessing the additional carbon uptake by crops using an anticipated baseline approach. We also apply this framework to determine the additional corn produced for ethanol and include the direct life cycle carbon emissions of only that portion of corn in the direct life cycle carbon intensity of corn ethanol. We implement this framework by integrating an economic model of the agricultural sector in the USA with a biogenic carbon model and life cycle analysis to quantify biogenic carbon uptake and direct life cycle emissions with and without corn ethanol expansion over the 2007–2027 period. We find that the combined biogenic carbon emissions and direct life cycle carbon emission intensity of corn ethanol (not including indirect land use related emissions) is 21% lower than gasoline. In conclusion, the lower value of this carbon intensity of corn ethanol compared with gasoline is robust to a wide range of parametric assumptions.

09 BIOMASS FUELS↗

Integrating Remote Sensing Observations with NASA's GEOS-5 Modeling Framework in Support of Retrospective Analyses and Seasonal Prediction of Biosphere-Atmosphere CO2 Flux

The absorption of nearly half of all anthropogenic carbon dioxide (CO2) emissions by terrestrial and marine ecosystems has played a critical role in mitigating climate change. However, a persistent lack of understanding of these uptake processes impedes attribution, and thereby introduces large uncertainties into projections of the trajectory of carbon and climate in coming decades. A better understanding and quantification of the seasonal and interannual variability of carbon flux between the atmosphere and ocean and terrestrial biospheres is critically needed to improve predictions from Earth system models. We propose to bring together a diverse suite of remote sensing observations, mechanistic models, and NASA's Goddard Earth Observing System, version 5 (GEOS-5) model to address two objective 1) quantify the processes controlling the temporal variability of biosphere-atmosphere CO2 flux on seasonal and interannual timescales from 1989 to 2018 and 2) evaluating the predictability of the components of carbon flux on seasonal timescales. Because GEOS-5 has been developed to incorporate a variety of Earth system observations and includes a complete and physically consistent depiction of the atmosphere, land, and ocean carbon cycles, it represents a unique and ideal synthesis framework for this effort. By expanding the realism of processes that could be included in GEOS-5 seasonal forecasts, this effort supports NASA's goals toward an integrated Earth system modeling and prediction framework.We propose to integrate a number of observations into the GEOS-5 modeling system to refine retrospective estimates of both terrestrial and marine carbon flux and to test hypotheses regarding the effects of climate drivers on terrestrial carbon flux. This will include assimilating several satellite ocean color products in the NASA Ocean Biogeochemistry Model (NOBM) to improve the representation of ocean biology. We will also utilize remote sensing datasets to increase the temporal resolution of global land-use change estimates and fire emissions to better constrain the temporal variability of the terrestrial carbon cycle. This information will be incorporated into two NASA terrestrial biosphere models Catchment-CN, a dynamic vegetation model that is integrated within GEOS-5 and the Ecosystem Demography (ED) model, a core modeling resource supporting the Global Ecosystem Dynamics Investigation (GEDI) mission to map biomass. Fluxes will be evaluated through 1) comparison to top-down flux estimates inferred from surface CO2 observations and 2) comparison against available aircraft and satellite observations.By combining predictions of net ecosystem exchange and air-sea CO2 flux from land and ocean models with statistical predictions of land use change, fire, and fossil fuel emissions, we propose to create the first dynamical CO2 forecast on seasonal timescales. Because of the experimental nature of this endeavor, an important project objective will be to evaluate the limits to the predictability of different carbon cycle processes over lead times of 1-12 months using different satellite and surface data streams.

Ott, Lesley↗

The Verification and Validation of a Magnetic Plasma Fluid Model Utilizing the MOOSE (Multiphysics Object Oriented Simulation Environment) Framework

As the goal of achieving fusion power on the grid comes closer to fruition, fully coupled multiphysics models of fusion devices will be crucial. Currently, there are two main approaches to developing these platforms: (1) loosely coupled, where one couples existing codes and solvers together through input and output parameters and data, and (2) tightly coupled, where one develops the necessary models within a singular, integrated framework. This work focuses on the latter approach for magnetically confined fusion devices by developing a fluid-based plasma-edge model within the Multiphysics Object Oriented Simulation Environment (MOOSE) Framework. This effort is coordinated with other efforts to develop, test, demonstrate, and deploy fusion relevant multiphysics capabilities including electromagnetics, particle-in-cell plasma, tritium transport, and fusion blanket design. This new model is an expansion of the MOOSE-based plasma application, Zapdos, which was originally formulated to model low-temperature, non-magnetized plasma processes. Verification, benchmarking, and validation studies have been conducted. Verification studies involved utilizing the method of manufactured solutions and comparing the convergence slope of a known solution to the theoretical slope. Benchmarking consists of comparisons to existing edge codes, namely BOUT++ and SOLEDGE3X. Validation efforts focused on comparisons against open-source data from the TCV tokamak.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

LYNM-PE1 Seismic Parameters from Borehole Log, Laboratory, and Tabletop Measurements

The goal of this work is to provide a database of quality-checked seismic parameters that can be integrated with the Geologic Framework Model (GFM) for the LYNM-PE1 (Low Yield Nuclear Monitoring – Physical Experiment 1) testbed. We integrated data from geophysical borehole logs, tabletop measurements on collected core, and laboratory measurements. We reviewed for internal consistency among each measurement type, documented the caveats of measurement conditions, and integrated lithologic logs to check the validity of outlier values. The resulting consolidated parameter tables can be used as inputs for modeling and analysis codes and are designed to interface with the GFM, which is being actively developed.

58 GEOSCIENCES↗

Aerodynamic Modeling of Transonic Aircraft Using Vortex Lattice Coupled with Transonic Small Disturbance for Conceptual Design

The need to rapidly scan large design spaces during conceptual design calls for computationally inexpensive tools such as the vortex lattice method (VLM). Although some VLM tools, such as Vorview have been extended to model fully-supersonic flow, VLM solutions are typically limited to inviscid, subcritical flow regimes. Many transport aircraft operate at transonic speeds, which limits the applicability of VLM for such applications. This paper presents a novel approach to correct three-dimensional VLM through coupling of two-dimensional transonic small disturbance (TSD) solutions along the span of an aircraft wing in order to accurately predict transonic aerodynamic loading and wave drag for transport aircraft. The approach is extended to predict flow separation and capture the attenuation of aerodynamic forces due to boundary layer viscosity by coupling the TSD solver with an integral boundary layer (IBL) model. The modeling framework is applied to the NASA General Transport Model (GTM) integrated with a novel control surface known as the Variable Camber Continuous Trailing Edge Flap (VCCTEF).

Transonic Small Disturbance↗

Probabilistic Programming for Transportable Source Characterization and Uncertainty Quantification of the North Korean Nuclear Tests 2006–2017

Here, we introduce a transportable technique to determine the yield and depth of burial (DOB) from seismic source spectra of underground nuclear explosions. We demonstrate this technique on the six declared North Korean nuclear tests. This approach derives source spectra in absolute units from regional phase (Pg) amplitudes by correcting the observations for geometric spreading, attenuation, and site amplification. We couple the source spectra and explosion source models with a probabilistic programming framework that integrates deep learning techniques and Bayesian modeling. This approach permits the exchange of information across various data categories to quantify both the data and model uncertainty. This technique stands out as an innovative use of broad‐area propagation models, making it transportable across various geologic settings. This method proves to be effective in scenarios with diverse and/or limited observational data, even when the source depth is unknown. We present new independent estimates of absolute yield and DOB that are consistent with the prior assessments, underscoring the potential of this method in enhancing transportable nuclear explosion monitoring capabilities.

58 GEOSCIENCES↗

Multi-Scale Modeling Framework for Mercury Biogeochemistry

Multi-Scale modeling of mercury (Hg) geochemical speciation and reactions has been performed by integrating atomistic quantum chemical calculations with continuum scale speciation models. Major progress has been made in the improvement of quantum chemical models to calculate critical thermodynamic data for Hg complexes in aquatic environments. Rapid and reliable quantum chemical approaches have been developed for calculating acid dissociation constants (pK a ) and stability constants (log K), with calculated mean unsigned errors of 0.5 and 1.5 log units, respectively for ligand molecules and Hg complexes. At the continuum scale, systematic analysis of uncertainty propagation in mercury (Hg) speciation modeling has been conducted and was used to identify environmental conditions under which thermodynamic constant uncertainties are significant and recommended to be accounted for. The integrated framework for multi-scale modeling of mercury geochemistry is open to the research community through the web-based multiscale modeling aqueous speciation resource, AQUA-MER. The improved quantum chemical approaches for thermodynamic constant calculations are accessible through AQUA-MER and can be used to provide the missing constants in the continuum scale speciation calculations. In addition to low molecular mass Hg complex speciation, modeling natural aquatic environments also involve the transport of high molecular weight dissolved organic matter (DOM) in reactive flows simultaneously with equilibrium and kinetic reactions. To this end, atomistic MD simulations were performed to capture the details of aggregation, mechanisms and distribution of functional groups in DOM at the molecular level. The elemental composition and calculated bulk properties of the DOM models are in close agreement with experimental measurements. A travel-time based reactive transport model in the hyporheic zone of stream corridors was established for the multicomponent Hg-DOM-S system and implemented through PFLOTRAN.

54 ENVIRONMENTAL SCIENCES↗

Verification of a Fluid-Based Plasma-Edge Model Within the Multiphysics Object-Oriented Simulation Environment (MOOSE) Framework

As the goal of achieving fusion power on the grid comes closer to fruition, fully coupled multiphysics models of fusion devices will be crucial. These models must incorporate the interconnected phenomena of these devices, including plasma physics, neutronics, first wall interactions, and tritium transport. Currently, there are two main approaches to developing these platforms: (1) loosely coupled, where one couples existing codes and solvers together through input and output parameters and data, and (2) tightly coupled, where one develops the necessary models within a singular, integrated framework. This work focuses on the latter approach for magnetically confined fusion devices by developing a fluid-based plasma-edge model within the Multiphysics Object Oriented Simulation Environment (MOOSE) Framework. This effort is coordinated with other efforts to develop, test, demonstrate, and deploy fusion relevant multiphysics capabilities including electromagnetics, particle-in-cell plasma, tritium transport, and fusion blanket design. This new model is an expansion of the MOOSE-based plasma application, Zapdos, which was originally formulated to model low-temperature, non-magnetized plasma processes. Verification studies have been conducted using newly developed magnetic plasma capabilities. These involved convergence analyses utilizing the method of manufactured solutions to verify new operators and case studies. A modular approach was taken here to demonstrate increasingly complicated simulation scenarios, which included a singular fluid with uniform magnetic field case, a singular fluid with spatially varying magnetic field case, and a coupled multifluid case.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗