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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 NTRS2007

More on the Possible Composition of the Meridiani Hematite-Rich Concretions

Elsewhere in these proceedings, Schneider et al. discuss compositional constraints on hematite-rich spherule (blueberry) formation at Meridiani Planum. Schneider et al. provide the background for work done to date to understand the composition and mineralogy of the spherules and devise a test of possible concretion growth processes. They also report the results of area analyses of spherules in targets analyzed with the Alpha Particle X-ray Spectrometer (APXS) and test several possible models for included components other than hematite. In this abstract, we use the compositional trends for spherule-rich targets to compute possible elemental compositions of the spherules. This approach differs from that of, which also used a determination of the area of spherules in APXS targets, coupled with a correction for the radial acceptance function, to try to un-mix the compositions directly, using 2 and 3-component models and mass balance. That approach contained a fair amount of uncertainty owing to problems associated with irregular and heterogeneous target geometry, unknown composition of non-spherule lithic components, and variable dust coatings on spherules. Since then, Opportunity has analyzed additional spherule-rich targets, and the compositional trends so obtained permit a more direct assessment of the data.

Jolliff, B. L.↗
NASA NTRS2008

NASA Tech Briefs, December 2008

Topics covered include: Crew Activity Analyzer; Distributing Data to Hand-Held Devices in a Wireless Network; Reducing Surface Clutter in Cloud Profiling Radar Data; MODIS Atmospheric Data Handler; Multibeam Altimeter Navigation Update Using Faceted Shape Model; Spaceborne Hybrid-FPGA System for Processing FTIR Data; FPGA Coprocessor for Accelerated Classification of Images; SiC JFET Transistor Circuit Model for Extreme Temperature Range; TDR Using Autocorrelation and Varying-Duration Pulses; Update on Development of SiC Multi-Chip Power Modules; Radio Ranging System for Guidance of Approaching Spacecraft; Electromagnetically Clean Solar Arrays; Improved Short-Circuit Protection for Power Cells in Series; Electromagnetically Clean Solar Arrays; Logic Gates Made of N-Channel JFETs and Epitaxial Resistors; Improved Short-Circuit Protection for Power Cells in Series; Communication Limits Due to Photon-Detector Jitter; System for Removing Pollutants from Incinerator Exhaust; Sealing and External Sterilization of a Sample Container; Converting EOS Data from HDF-EOS to netCDF; HDF-EOS 2 and HDF-EOS 5 Compatibility Library; HDF-EOS Web Server; HDF-EOS 5 Validator; XML DTD and Schemas for HDF-EOS; Converting from XML to HDF-EOS; Simulating Attitudes and Trajectories of Multiple Spacecraft; Specialized Color Function for Display of Signed Data; Delivering Alert Messages to Members of a Work Force; Delivering Images for Mars Rover Science Planning; Oxide Fiber Cathode Materials for Rechargeable Lithium Cells; Electrocatalytic Reduction of Carbon Dioxide to Methane; Heterogeneous Superconducting Low-Noise Sensing Coils; Progress toward Making Epoxy/Carbon-Nanotube Composites; Predicting Properties of Unidirectional-Nanofiber Composites; Deployable Crew Quarters; Nonventing, Regenerable, Lightweight Heat Absorber; Miniature High-Force, Long-Stroke SMA Linear Actuators; "Bootstrap" Configuration for Multistage Pulse-Tube Coolers; Reducing Liquid Loss during Ullage Venting in Microgravity; Ka-Band Transponder for Deep-Space Radio Science; Replication of Space-Shuttle Computers in FPGAs and ASICs; Demisable Reaction-Wheel Assembly; Spatial and Temporal Low-Dimensional Models for Fluid Flow; Advanced Land Imager Assessment System; Range Imaging without Moving Parts.

Source record↗
DOE OSTI2026

Phase field dislocation dynamics formulation coupled with Fourier based micromechanics solver and its application to grain boundary–dislocation interactions

A new phase field dislocation dynamics (PFDD) formulation for homogeneous and heterogeneous materials is presented, which couples micromechanical solvers and the time-dependent Ginzburg–Landau equation. The strain fields are obtained from the micromechanical solver by solving the Lippmann–Schwinger equation and then used to define energy terms to model the evolution of the dislocations. Grain boundary (GB)–dislocation interactions are studied using the coupled PFDD formulation and by describing GBs as inclusions. GB energy and stiffness tensors are computed from molecular statics simulations, and a newly proposed lattice energy term that is dependent on the GB energy is considered in the calculations. Interaction of a screw dislocation with minimum energy and metastable states of low and high angle ⟨110⟩ symmetric tilt grain boundaries are studied. We show good agreement between predictions from our PFDD formulation and molecular dynamics simulations of grain boundary–dislocation interactions.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Non-equilibrium one-dimensional two-phase flow in variable area channels

A one-dimensional nonequilibrium flow analysis has been formulated for a one component two phase flow. The flow is considered homogeneous and essentially isothermal. Phase change is assumed to occur at heterogeneous nucleation sites and the growth of the vapor bubbles is governed by heat conduction from the liquid to the bubble. The analysis adjusted for friction is applied to liquid nitrogen flow in a venturi and comparison is made with the NASA experimental results of Simoneau. Good agreement with the experiments is obtained when one assumes the effective activation energy for nucleus formation to be small but nonzero. The computed pressure distributions deviate from the experimental results in the throat region of the venturi in a manner consistent with centrifugal effects not accounted for in the one-dimensional theory. The results are shown to depend not only on cavitation number but on additional dimensionless parameters governing the nonequilibrium production and subsequent growth of nuclei.

Rohatgi, U. S.↗
NASA NTRS1978

The nature of isostasy on the moon - How big a Pratt-fall for Airy models

The correlation between topographic elevation and the major element chemistry of the lunar surface in non-mare regions suggest that a Pratt-type isostatic mechanism may be important in the lunar highlands. Pratt isostasy involves compensation of greater elevation by lower crustal density. Computation of the bulk density from surface chemistry and normative mineralogy, followed by comparisons between calculated density and surface height, is suggested as a means of testing the applicability of the Pratt isostatic model to the moon. A Pratt-type lunar crustal model requires much smaller variations in lunar crustal thickness than those necessitated by a constant-density (Airy) isostatic model. Mechanisms to produce a crust regionally heterogeneous in composition early in lunar differentiation are also required for Pratt isostasy.

Solomon, S. C.↗
DOE OSTI2026

Computer simulation of reaction and transport of core-scale serpentinization of Fe-bearing olivine and evolution of geological hydrogen

We present reactive flow and transport simulations of core-scale serpentinization of forsteritic, Fe-bearing olivine under hydrothermal conditions. The model captures fluid flow, evolving porosity–permeability, and redox-controlled H 2 production in a cylindrical core over 55 days at 245 °C and 37 bar. Key processes include olivine dissolution, precipitation of serpentine and magnetite, and oxidation of Fe2+ to Fe 3+ . Here, results show strong coupling among flow velocity, alteration front propagation, and spatially heterogeneous H 2 generation. Elevated H2 concentrations align with inlet-localized magnetite precipitation, consistent with experiments. Secondary mineral formation reduces porosity and permeability, altering transport pathways. Reactive flow at the fluid–solid interface governs H 2 generation rates and distribution. Dissolved SiO2 promotes serpentine and talc formation by suppressing brucite, while bicarbonate extends reaction duration and moderates surface complexation effects.

Geologic hydrogen↗
DOE OSTI2026

Bifunctional Electrocatalysts with High-Entropy Alloys: Bridging Hydrogen Evolution and Oxygen Reduction

High-entropy alloys (HEAs) have emerged as a promising class of bifunctional electrocatalysts capable of simultaneously driving the hydrogen evolution reaction (HER) and the oxygen reduction reaction (ORR) with high activity and durability. Their near-equiatomic multicomponent compositions give rise to unique physicochemical characteristics, including lattice distortion, sluggish diffusion, high-entropy stabilization, and pronounced electronic heterogeneity, that collectively generate diverse and synergistic active sites inaccessible in conventional alloys. This review summarizes recent progress in HEA-based bifunctional electrocatalysis, with a focus on the fundamental mechanisms governing HER and ORR activity, stability, and selectivity. We discuss advances in synthesis strategies, ranging from confined growth and step-alloying to scalable continuous-flow methods, that enable precise control over composition, size, and surface structure. Complementary computational and data-driven approaches, including density functional theory, machine-learning-assisted screening, and descriptor development, are highlighted as essential tools for navigating the vast HEA design space and establishing structure−property relationships. Particular attention is paid to adsorption-energy distributions, multisite cooperativity, and environmental effects under realistic electrochemical conditions. Finally, we outline current challenges and future opportunities for integrating mechanistic understanding with AI-guided, closed-loop design frameworks to accelerate the discovery of next-generation HEA bifunctional electrocatalysts for sustainable energy conversion.

Alloys↗
DOE OSTI2025

Multiphysics Meshfree Degradation Modeling of Energy Storage Materials with Kernel Enrichment

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and ultimately diminishing performance and service life. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based meshfree model construction by the reproducing kernel particle method (RKPM) is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. The first kernel enrichment discussed will be the interface modified reproducing kernel (IM-RK) [1, 2], constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The IM-RK is especially useful for areas in which a known discontinuity-type is expected a priori. The second kernel enrichment to be discussed is a neural network-enhanced reproducing kernel (NN-RK) [3, 4], which is introduced to effectively model non-obvious damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RK is additionally used to inform how crack opening and closure in turn affect the electro-chemo-mechanical responses in the material microstructure. Reference: [1] Wang, Y., Baek, J., Tang, Y. et al. "Support vector machine guided reproducing kernel particle method for image-based modeling of microstructures," Comput Mech 73, 907-942 (2024). https://doi.org/10.1007/s00466-023-02394-9. [2] Susuki, K., Allen, J. & Chen, J. S.. "Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method," Engineering with Computers (2024). https://doi.org/10.1007/s00366-024-02016-9. [3] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, 4422-4454 (2022). https://doi.org/10.1002/nme.7040.

25 ENERGY STORAGE↗
DOE OSTI2026

Kernel Enriched Meshfree Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and ultimately diminishing performance and service life. With microstructural images supplied by the National Laboratory of the Rockies (NLR), pixel-based meshfree model construction by the reproducing kernel particle method (RKPM) is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. The first kernel enrichment discussed will be the interface modified reproducing kernel (IM-RK) [1, 2], constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The IM-RK is especially useful for areas in which a known discontinuity-type is expected a priori. The second kernel enrichment to be discussed is a neural network-enhanced reproducing kernel (NN-RK) [3, 4], which is introduced to effectively model non-obvious damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RK is additionally used to inform how crack opening and closure in turn affect the electro-chemo-mechanical responses in the material microstructure. References: [1] Wang, Y., Baek, J., Tang, Y. et al. "Support vector machine guided reproducing kernel particle method for image-based modeling of microstructures," Comput Mech 73, 907-942 (2024). https://doi.org/10.1007/s00466-023-02394-9. [2] Susuki, K., Allen, J. & Chen, J. S.. "Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method," Engineering with Computers (2024). https://doi.org/10.1007/s00366-024-02016-9. [3] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, 4422-4454 (2022). https://doi.org/10.1002/nme.7040.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Knowledge-based assistance for science visualization and analysis using large distributed databases

Within this decade, the growth in complexity of exploratory data analysis and the sheer volume of space data require new and innovative approaches to support science investigators in achieving their research objectives. To date, there have been numerous efforts addressing the individual issues involved in inter-disciplinary, multi-instrument investigations. However, while successful in small scale, these efforts have not proven to be open and scaleable. This proposal addresses four areas of significant need: scientific visualization and analysis; science data management; interactions in a distributed, heterogeneous environment; and knowledge-based assistance for these functions. The fundamental innovation embedded within this proposal is the integration of three automation technologies, namely, knowledge-based expert systems, science visualization and science data management. This integration is based on the concept called the Data Hub. With the Data Hub concept, NASA will be able to apply a more complete solution to all nodes of a distributed system. Both computation nodes and interactive nodes will be able to effectively and efficiently use the data services (access, retrieval, update, etc.) with a distributed, interdisciplinary information system in a uniform and standard way. This will allow the science investigators to concentrate on their scientific endeavors, rather than to involve themselves in the intricate technical details of the systems and tools required to accomplish their work. Thus, science investigators need not be programmers. The emphasis will be on the definition and prototyping of system elements with sufficient detail to enable data analysis and interpretation leading to publishable scientific results. In addition, the proposed work includes all the required end-to-end components and interfaces to demonstrate the completed concept.

Handley, Thomas H., Jr.↗
DOE OSTI2025

Nondestructive Evaluation of Concrete: Elastic Property Imaging Through Full-Waveform Inversion

Concrete is a vital material in construction—especially in the nuclear industry, where it is used in critical structures such as containment vessels. Over time, concrete can degrade due to harsh operational and environmental conditions, necessitating that its elastic properties be accurately evaluated to ensure structural integrity and safety. Traditional nondestructive evaluation methods such as ultrasound-based techniques often rely on simplifying assumptions that may not hold true for concrete. This paper presents an advanced ultrasound-based method that uses elastic full-waveform inversion (EFWI) to create detailed images of concrete’s mechanical properties. By accurately modeling wave behaviors such as scattering and reflection, we aim to overcome the limitations of conventional ultrasonic-based methods. In this work, the imaging problem involved reconstructing the various elastic properties of a heterogenous concrete block with three steel rebars embedded in it. The ultrasonic measurements were synthetically generated from multiple sources and receivers, and the reconstruction process was performed using a gradient-based optimization algorithm. Our approach leveraged EFWI to reconstruct high-resolution images of the pressure wave speed, shear wave speed, and density. Multiple misfit functions—including L2-norm, cross-correlation (CC), and L1-norm—combined with total variation (TV) regularization and parameter constraints using a Sigmoid function—were explored for the reconstruction. The results demonstrated that using the L1-norm misfit function in conjunction with TV regularization and Sigmoid constraints significantly improved the reconstruction quality in comparison to traditional methods. This approach provided clearer images with fewer artifacts and better captured background heterogeneity. Our findings highlight that, when properly designed, EFWI carries great potential for providing comprehensive, more accurate, and more reliable assessments of concrete conditions, as is crucial for the maintenance and safety of nuclear power plant structures.

97 - MATHEMATICS AND COMPUTING↗
NASA NTRS1983

Effects of AP particle size on combustion response to crossflow

An analytical model is developed for the linearized velocity-coupled combustion response function. The model treats elements of response to perturbations in pressure, in composition due to the heterogeneity of composite propellants, and in crossflow velocity. The effects of AP particle size are accounted for in terms of effects on controlling ballistics properties and in terms of fluctuations in propellant composition. There are two facets of the crossflow problem: the effect of crossflow velocity on the various response elements, and the response to velocity perturbations. Both are dealt with in this paper. Important trends derived from series of parametric computations are described.

Cohen, N. S.↗
NASA NTRS1985

Multidimensional Modeling of Atmospheric Effects and Surface Heterogeneities on Remote Sensing

The overall goal of this project is to establish a modeling capability that allows a quantitative determination of atmospheric effects on remote sensing including the effects of surface heterogeneities. This includes an improved understanding of aerosol and haze effects in connection with structural, angular, and spatial surface heterogeneities. One important objective of the research is the possible identification of intrinsic surface or canopy characteristics that might be invariant to atmospheric perturbations so that they could be used for scene identification. Conversely, an equally important objective is to find a correction algorithm for atmospheric effects in satellite-sensed surface reflectances. The technical approach is centered around a systematic model and code development effort based on existing, highly advanced computer codes that were originally developed for nuclear radiation shielding applications. Computational techniques for the numerical solution of the radiative transfer equation are adapted on the basis of the discrete-ordinates finite-element method which proved highly successful for one and two-dimensional radiative transfer problems with fully resolved angular representation of the radiation field.

Gerstl, S. A. W.↗
NASA NTRS1988

Photochemical trajectory modelling studies of the 1987 Antarctic spring vortex

Simulations of Antarctic ozone photochemistry performed using a photochemical model integrated along air parcel trajectories are described. This type of model has a major advantage at high latitudes of being able to simulate correctly the complex interaction between photolysis and temperature fields, which, because of the polar night cannot be represented accurately in a zonally averaged framework. Isentropic air parcel trajectories were computed using Meteorological Office global model analyses and forecast fields from positions along the ER-2 flight paths during the Airborne Antarctic Ozone Experiment in Austral Spring 1987. A photochemical model is integrated along these trajectories using the aircraft observations to initialize constituent concentrations. The model includes additional reactions of the ClO dimer and also bromine reactions, which are thought to play a significant role in Antarctica. The model also includes heterogeneous reactions which are invoked when the air parcel passes through a polar stratospheric cloud (PSC). The existence of a PSC is determined throughout the course of the model integration from the parcel temperature and the saturated vapour pressure of water over an assumed H2O/HNO3 mixture. The air parcel temperature is used to determine the saturated vapor pressure of HNO3 over the same mixture. Mixing ratios which exceed saturation result in condensation of the excess in the model and hence lead to a reduction of the amount of gas phase NO2 available for chemical reaction.

Austin, J.↗
DOE OSTI2025

PhaseT3M: 3D imaging at 1.6 Å resolution via electron cryo-tomography with nonlinear phase retrieval

Electron cryo-tomography (cryo-ET) enables 3D imaging of complex, radiation-sensitive structures with molecular detail. However, image contrast from the interference of scattered electrons is nonlinear with atomic density and multiple scattering further complicates interpretation. These effects degrade resolution, particularly in conventional reconstruction algorithms, which assume linearity. Particle averaging can reduce such issues but is unsuitable for heterogeneous or dynamic samples ubiquitous in biology, chemistry, and materials sciences. Here, we develop a phase retrieval-based cryo-ET method, PhaseT3M. We experimentally demonstrate its application to an approximately 7 nm Co3O4 nanoparticle on an approximately 30 nm carbon substrate, achieving a maximum resolution of 1.6 Å, surpassing conventional limits using standard cryo-TEM equipment. PhaseT3M uses a multislice model for multiple scattering and Bayesian optimization for alignment and computational aberration correction, with a positivity constraint to recover ‘missing wedge’ information. Applied directly to biological particles, it enhances reconstruction quality and reduces artifacts, establishing a standard for routine 3D imaging with phase contrast.

Biophysics↗
NASA NTRS2003

Oscillatory Extinction Of Spherical Diffusion Flames

Since extinction has been observed in an oscillatory manner in Le greater than 1 premixed flames, it is not unreasonable to expect that extinction could occur in an unsteady manner for diffusion flames. Indeed, near-limit oscillations have been observed experimentally under microgravity conditions for both candle flames and droplet flames. Furthermore, the analysis of Cheatham and Matalon on the unsteady behavior of diffusion flames with heat loss, identified an oscillatory regime which could be triggered by either a sufficiently large Lewis number (even without heat loss) or an appreciable heat loss (even for Le=1). In light of these recent understanding, the present investigation aims to provide a well-controlled experiment that can unambiguously demonstrate the oscillation of diffusion flames near both the transport- and radiation-induced limits. That is, since candle and jet flames are stabilized through flame segments that are fundamentally premixed in nature, and since premixed flames are prone to oscillate, there is the possibility that the observed oscillation of these bulk diffusion flames could be triggered and sustained by the oscillation of the premixed flame segments. Concerning the observed oscillatory droplet extinction, it is well-known that gas-phase oscillation in heterogeneous burning can be induced by and is thereby coupled with condensed-phase unsteadiness. Consequently, a convincing experiment on diffusion flame oscillation must exclude any ingredients of premixed flames and other sources that may either oscillate themselves or promote the oscillation of the diffusion flame. The present experiment on burner-generated spherical flames with a constant reactant supply endeavored to accomplish this goal. The results are further compared with those from computational simulation for further understanding and quantification of the flame dynamics and extinction.

Law, C. K.↗
DOE OSTI2025

Establishing nationwide power system vulnerability index across US counties using interpretable machine learning

Power outages have become increasingly frequent, intense, and prolonged in the US due to climate change, aging electrical grids, and rising energy demand. However, largely due to the absence of granular spatiotemporal outage data, we lack data-driven evidence and analytics-based metrics to quantify power system vulnerability. This limitation has hindered the ability to effectively evaluate and address vulnerability to power outages in US communities. Here, in this work, we collected ∼179 million power outage records at 15-min intervals across 3022 US contiguous counties (96.15 % of the area) from 2014 to 2023. We developed a power system vulnerability assessment framework based on three dimensions (intensity, frequency, and duration) and applied interpretable machine learning models (XGBoost and SHAP) to compute Power System Vulnerability Index (PSVI) at the county level. Our analysis reveals a consistent increase in power system vulnerability across the US counties over the past decade. We identified 318 counties across 45 states as hotspots for high power system vulnerability, particularly in the West Coast (California and Washington), the East Coast (Florida and the Northeast area), the Great Lakes megalopolis (Chicago-Detroit metropolitan areas), and the Gulf of Mexico (Texas). Our heterogeneity analysis indicates that urban counties and those located along regional transmission boundaries tend to exhibit significantly higher vulnerability. Our results highlight the significance of the proposed PSVI for evaluating the vulnerability of communities to power outages. The findings underscore the widespread and pervasive impact of power outages across the country and offer crucial insights to support infrastructure operators, policymakers, and emergency managers in formulating policies and programs aimed at enhancing the resilience of the US power infrastructure.

24 POWER TRANSMISSION AND DISTRIBUTION↗