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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Orbiter Aerodynamic Acceleration Flight Measurements in the Rarefied-Flow Transition Regime

Acceleration data taken from the Orbital Acceleration Research Experiment (OARE) during reentry on STS-62 have been analyzed using calibration factors taken on orbit. This is the first Orbiter mission which collected OARE data during the Orbiter reentry phase. The data examined include the flight regime from orbital altitudes down to about 90 km which covers the free-molecule-flow regime and the upper altitude fringes of the rarefied-flow transition into the hypersonic continuum. Ancillary flight data on Orbiter position, orientation, velocity, and rotation rates have been used in models to transform the measured accelerations to the Orbiter center-of-gravity, from which aerodynamic accelerations along the Orbiter body axes have been calculated. Residual offsets introduced in the measurements by unmodeled Orbiter forces are identified and discussed. Direct comparisons are made between the OARE flight data and an independent micro-gravity accelerometer experiment, the High Resolution Accelerometer Package (HiRAP), which also obtained flight data on reentry during the mission down to about 95 km. The resulting OARE aerodynamic acceleration measurements along the Orbiter's body axis, aid the normal to axial acceleration ratio in the free-molecule-flow and transition-flow regimes are presented and compared with numerical simulations from three direct simulation Monte Carlo codes.

Blanchard, Robert C.↗
NASA NTRS1990

A new treatment of the albedo radiation pressure in the case of a uniform albedo and of a spherical satellite

The purpose of this paper is to present a model for the radiation pressure acceleration of a spherical satellite, due to the radiation reflected by a planet with a uniform albedo. A particular choice of variables allows one to reduce the surface integrals over the lit portion of the planet visible to the satellite to one-dimensional integrals. Exact analytical expressions are found for the integrals corresponding to the case where the spacecraft does not 'see' the terminator. The other integrals can be computer either numerically, or analytical in an approximate form. The results are compared with those of Lochry (1966). The model is applied to Magellan, a spacecraft orbiting Venus.

Borderies, Nicole↗
DOE OSTI2024

Accelerated Irradiation and Qualification of Ceramic Nuclear Fuels

Accelerated neutron irradiation testing is an component of accelerated qualification of new nuclear fuels for light water reactor (LWRs), microreactors, and other special purpose reactors. The qualification and licensing of nuclear fuel is a lengthy process that can take 20-25 years to bring a new fuel into service. Accelerated fuel qualification combines both experimental and modeling work to expedite the total qualification time to 5-10 years timeframe. The experimental aspect of this is accelerated irradiation aims to reduce the total time needed for neutron irradiation to achieve targeted burnup, which can take years using conventional irradiation profiles. The data that results from this irradiation testing can then be entered into BISON models to develop robust and reliable performance simulations to ensure safe operation under normal and off normal conditions. This milestone focused on the fabrication of test articles for accelerated irradiation testing at the Advance Test Reactor (ATR).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1993

Charge-exchange erosion studies of accelerator grids in ion thrusters

A particle simulation model is developed to study the charge-exchange grid erosion in ion thrusters for both ground-based and space-based operations. Because the neutral gas downstream from the accelerator grid is different for space and ground operation conditions, the charge-exchange erosion processes are also different. Based on an assumption of now electric potential hill downstream from the ion thruster, the calculations show that the accelerator grid erosion rate for space-based operating conditions should be significantly less than experimentally observed erosion rates from the ground-based tests conducted at NASA Lewis Research Center (LeRC) and NASA Jet Propulsion Laboratory (JPL). To resolve this erosion issue completely, we believe that it is necessary to accurately measure the entire electric potential field downstream from the thruster.

Peng, Xiaohang↗
DOE OSTI2026

From Rules to Reasoning: A Survey of Large Language Model-Based Approaches to Scientific Hypothesis and Idea Generation

Scientific hypothesis generation represents a fundamental challenge in contemporary research due to exponentially expanding literature volumes and increasing disciplinary specialization. Large language models (LLMs) have emerged as transformative tools for automated scientific discovery, moving beyond traditional rule-based and literature-mining approaches. Four paradigmatic approaches define current LLM-driven hypothesis generation: direct prompting and fine-tuning methods, knowledge-enhanced frameworks integrating retrieval-augmented generation (RAG), multi-agent collaborative systems simulating research teams, and reasoning-focused approaches implementing cognitive architectures. Domain-specific applications demonstrate statistical equivalence to human expert performance in social psychology, experimental validation in biomedical research, and near-expert quality in astronomy. Evaluation methodologies encompass human expert assessment, LLM-as-judge frameworks, and comprehensive benchmarking systems. Technical challenges include hallucination management, knowledge integration limitations, and balancing novelty with feasibility. Future directions emphasize hybrid neural-symbolic architectures and sophisticated human-AI collaboration models for responsible scientific discovery acceleration.

AI-driven discovery↗
NASA NTRS1994

Line profiles variations from atmospheric eclipses: Constraints on the wind structure in Wolf-Rayet stars

Binary systems in which one of the components has a stellar wind may present a phenomenon known as 'wind' or 'atmospheric eclipse', in which that wind occults the luminous disk of the companion. The enhanced absorption profile, relative to the spectrum at uneclipsed orbital phases, can be be modeled to yield constraints on the spatial structure of the eclipsing wind. A new, very efficient approach to the radiative transfer problem, which makes no requirements with respect to monotonicity of the velocity gradient or size of that gradient, is presented. The technique recovers both the comoving frame calculation and the Sobolev approximation in the appropiate limits. Sample computer simulations of the line profile variations induced by wind eclipses are presented. It is shown that the location of the wind absorption features in frequency is a diagnostic tool for identifying the size of the wind acceleration region. Comparison of the model profile variations with the observed variations in the Wolf-Rayet (W-R)+6 binary system V444 Cyg illustrate how the method can be used to derive information on the structure of the wind of the W-R star constrain the size of the W-R core radius.

Auer, L. H.↗
DOE OSTI2024

Hierarchical Conditioning of Diffusion Models Using Tree-of-Life for Studying Species Evolution

A central problem in biology is to understand how organisms evolve and adapt to their environment by acquiring variations in the observable characteristics or traits of species across the tree of life. With the growing availability of large-scale image repositories in biology and recent advances in generative modeling, there is an opportunity to accelerate the discovery of evolutionary traits automatically from images. Toward this goal, we introduce Phylo-Diffusion, a novel framework for conditioning diffusion models with phylogenetic knowledge represented in the form of HIERarchical Embeddings (HIER-Embeds). We also propose two new experiments for perturbing the embedding space of Phylo-Diffusion: trait masking and trait swapping, inspired by counterpart experiments of gene knockout and gene editing/swapping. Our work represents a novel methodological advance in generative modeling to structure the embedding space of diffusion models using tree-based knowledge. Our work also opens a new chapter of research in evolutionary biology by using generative models to visualize evolutionary changes directly from images. We empirically demonstrate the usefulness of Phylo-Diffusion in capturing meaningful trait variations for fishes and birds, revealing novel insights about the biological mechanisms of their evolution. (Model and code can be found at imageomics.github.io/phylo-diffusion)

Khurana, Mridul↗
DOE OSTI2024

Random forest prediction of crystal structure from electron diffraction patterns incorporating multiple scattering

Diffraction is the most common method to solve for unknown or partially known crystal structures. However, it remains a challenge to determine the crystal structure of a new material that may have nanoscale size or heterogeneities. Here, in this study, we train an architecture of hierarchical random forest models capable of predicting the crystal system, space group, and lattice parameters from one or more unknown two-dimensional electron diffraction patterns. Our initial model correctly identifies the crystal system of a simulated electron diffraction pattern from a 20-nm-thick specimen of arbitrary orientation 67% of the time. We achieve a topline accuracy of 79% when aggregating predictions from ten patterns of the same material but different zone axes. The space group and lattice predictions range from 70% to 90% accuracy and median errors of 0.01-0.5Å, respectively, for cubic, hexagonal, trigonal, and tetragonal crystal systems while being less reliable on orthorhombic and monoclinic systems. We apply this architecture to a four-dimensional scanning transmission electron microscopy scan of gold nanoparticles, where it accurately predicts the crystal structure and lattice constants. These random forest models can be used to significantly accelerate the analysis of electron diffraction patterns, particularly in the case of unknown crystal structures. Additionally, due to the speed of inference, these models could be integrated into live transmission electron microscopy experiments, allowing real-Time labeling of a specimen.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Study of geopotential error models used in orbit determination error analysis

The uncertainty in the geopotential model is currently one of the major error sources in the orbit determination of low-altitude Earth-orbiting spacecraft. The results of an investigation of different geopotential error models and modeling approaches currently used for operational orbit error analysis support at the Goddard Space Flight Center (GSFC) are presented, with emphasis placed on sequential orbit error analysis using a Kalman filtering algorithm. Several geopotential models, known as the Goddard Earth Models (GEMs), were developed and used at GSFC for orbit determination. The errors in the geopotential models arise from the truncation errors that result from the omission of higher order terms (omission errors) and the errors in the spherical harmonic coefficients themselves (commission errors). At GSFC, two error modeling approaches were operationally used to analyze the effects of geopotential uncertainties on the accuracy of spacecraft orbit determination - the lumped error modeling and uncorrelated error modeling. The lumped error modeling approach computes the orbit determination errors on the basis of either the calibrated standard deviations of a geopotential model's coefficients or the weighted difference between two independently derived geopotential models. The uncorrelated error modeling approach treats the errors in the individual spherical harmonic components as uncorrelated error sources and computes the aggregate effect using a combination of individual coefficient effects. This study assesses the reasonableness of the two error modeling approaches in terms of global error distribution characteristics and orbit error analysis results. Specifically, this study presents the global distribution of geopotential acceleration errors for several gravity error models and assesses the orbit determination errors resulting from these error models for three types of spacecraft - the Gamma Ray Observatory, the Ocean Topography Experiment, and the Cosmic Background Explorer.

Yee, C.↗
DOE OSTI2024

A machine learning approach for particle accelerator errant beam prediction using spatial phase deviation

Particle accelerators are extremely complex systems that are expected to operate on high availability. Predicting impending failures only by utilizing data collected from diagnostic equipment already on board can help operators to avoid installing expensive sensors, unscheduled downtime and associated costs. For this purpose we explore the predictive power of Machine Learning algorithms to detect faulty beams prior to the failure. In this study, we propose a Machine Learning approach to model mapping from a pair of sensors located across the accelerator. While the model is trained to represent normal operation, we evaluate the predictive performance on known faulty beam pulses. We also investigate the model performance on unseen data through k-fold cross-validation. Then we recap the analysis with a neural architecture search and hyperparameter optimization study to fine tune our initial model. In conclusion, this paper will also introduce a sustainable framework that can standardize Machine Learning workflow applied to particle accelerators.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Focused Ion Beam Tomography of Alloy 617 Corroded in Molten Chloride Salt

Materials qualification of reactor structural materials is a critical step in rapid implementation of advanced nuclear reactor technologies, particularly to assess the corrosion performance in these designs. Accelerated qualification of reactor structural materials requires incorporating powerful computational toolsets, such as phase field modelling in the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, to predict the evolution of structural materials due to corrosion. Accordingly, computational toolsets will require experimental data generated at appropriate length scales to validate accuracy. Focused ion beam (FIB) provides a high degree of control over manipulation of materials for analytical purposes, including capturing data on the evolution in the microstructure and elemental composition of materials at the mesoscale, an appropriate length scale for phase field modelling of intergranular diffusion phenomena using the MOOSE framework. For instance, the FEI Helios G4 UX dual beam plasma FIB microscope at the Irradiated Materials Characterization Laboratory (IMCL) is capable of backscatter diffraction (EBSD) and energy-dispersive x-ray spectroscopy (EDS) documenting the evolution in the microstructure and elemental composition, respectively. The Helios can perform EDS and EBSD three-dimensionally (3D) using tomography, which is then combined using different software packages to visualize 3D volumes correlating elemental composition to microstructural data. The purpose of this investigation was to develop a streamlined characterization and data processing workflow for 3D tomography studies on the FEI Helios G4 plasma FIB. The investigation is segmented into three parts: 1) Optimizing the data collection workflow, 2) identifying appropriate data processing and visualization software (i.e. DREAM.3D, MIPAR, and VGStudioMax), and 3) establishing an infrastructure for public release. The optimization of the data collection workflow is in collaboration with members of the U220 department to setup formal training on the tomography operation of the G4, through ThermoFisher Scientific, and exploring DREAM.3D, MIPAR, and VGStudioMax data processing/visualization software packages. VGStudioMax currently demonstrates the most promise for future use. Optimization of the data collection and processing workflow is still ongoing. A collaboration with INL High Performance Computing (HPC) established an open-source license for expediting the public release of FIB tomography datasets through HPC. FIB tomography data generated by the G4 will provide comprehensive data for validating 3D phase field mesoscale modelling tools within the MOOSE framework for accelerated qualification of reactor structural materials.

Copeland-Johnson, Trishelle↗
NASA NTRS2000

An Indirect Mixed-Sensitivity Approach to Microgravity Vibration Isolation: The Exploitation of Kinematic Coupling In Frequency-Weighting Design-Filter Selections

Many space science experiments need an active isolation system to provide them with the requisite microgravity environment. The isolation systems planned for use with the International Space Station have been appropriately modeled using relative position, relative velocity, and acceleration states. In theory, frequency design filters can be applied to these state-space models, in order to develop optimal H, or mixed-norm controllers with desired stability- and performance characteristics. In practice. however, the kinematic coupling among the various states can lead, through the associated frequency-weighting-filters, to conflicting demands on the Riccati design "machinery." The results can be numerically ill-conditioned regulator and estimator Riccati equations and/or reduced intuition in the design process. In addition, kinematic coupling can result in a redundancy in the demands imposed by the frequency weights. Failure properly to account for this type of coupling can lead to an unnecessary increase in controller dimensionality and, in turn, controller complexity. This paper suggests a rational approach to the assignment of frequency weighting design filters, in the presence of the kinematic coupling among states that exists in the microgravity vibration isolation problem.

Hampton, R. David↗
DOE OSTI2023

Continuum-Level Modeling of Li-Ion Battery SEI by Upscaling Atomistically Informed Reaction Mechanisms

Understanding and controlling solid-electrolyte interphase (SEI) formation to stabilize cell performance is a significant challenge for next-generation Li-ion battery technologies. In recent years, computational modeling has become an essential tool in providing fundamental insights into SEI properties and dynamics. However, neither atomistic nor continuum-level approaches alone can capture the complexities of SEI chemistry across all relevant length and time scales. In this work, a continuum-level model is developed that is informed by reaction mechanisms obtained from first-principle calculations. The atomistically informed continuum-level model is used to understand electrolyte degradation, including the decomposition of ethylene carbonate (EC), ethyl methyl carbonate (EMC), and fluoroethylene carbonate (FEC). The model presented here is the most chemically complex continuum-level SEI model in the literature to date. The SEI model is calibrated against experimental irreversible leakage currents and shows qualitative agreement with expected SEI growth trends. The model framework is expected to accelerate fundamental understanding of SEI formation, facilitate mechanism development feedback, and dynamically interact with experimental insights.

continuum-level model↗
DOE OSTI2023

BMX: Biological modelling and interface exchange

Abstract High performance computing has a great potential to provide a range of significant benefits for investigating biological systems. These systems often present large modelling problems with many coupled subsystems, such as when studying colonies of bacteria cells. The aim to understand cell colonies has generated substantial interest as they can have strong economic and societal impacts through their roles in in industrial bioreactors and complex community structures, called biofilms, found in clinical settings. Investigating these communities through realistic models can rapidly exceed the capabilities of current serial software. Here, we introduce BMX, a software system developed for the high performance modelling of large cell communities by utilising GPU acceleration. BMX builds upon the AMRex adaptive mesh refinement package to efficiently model cell colony formation under realistic laboratory conditions. Using simple test scenarios with varying nutrient availability, we show that BMX is capable of correctly reproducing observed behavior of bacterial colonies on realistic time scales demonstrating a potential application of high performance computing to colony modelling. The open source software is available from the zenodo repository https://doi.org/10.5281/zenodo.8084270 under the BSD-2-Clause licence.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Modeling of emittance growth due to Coulomb collisions in plasma-based accelerators

Coulomb collisions with background plasma are one source of emittance degradation in plasma accelerators. This work shows that the emittance growth due to Coulomb collisions can be correctly captured in particle-in-cell simulations, with a proper Monte Carlo binary collision module. The theory of the emittance growth due to Coulomb collisions is extended from a monoenergetic matched beam to a mismatched beam with energy spread and is compared with simulation results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗