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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Lattice vacancy migration barriers in Fe-Ni alloys, and an indication as to why Ni atoms diffuse slowly: A first-principles study

Lattice vacancy migration barriers in ferromagnetic Fe 𝑥 ⁢Ni 1−𝑥 alloys (0.4 ≤ 𝑥 ≤ 0.6) are accurately quantified within the framework of ab initio electronic structure calculations using the nudged elastic band (NEB) method. Both the atomically disordered (A1) fcc phase, as well as the atomically ordered, tetragonal L⁢1 0 phase—which is under consideration as a material for a rare-earth-free gap magnet for advanced engineering applications—are investigated. Across an ensemble of NEB calculations performed on supercell configurations spanning a range of compositions and containing disordered, partially ordered, and fully ordered structures, we find that Ni-vacancy interchanges encounter significantly higher energetic barriers than do Fe-vacancy interchanges. We contend that this aspect is a key factor in determining the differences in mobility between Fe and Ni atoms in this ferromagnetic alloy. Moreover, we are able to interpret these findings in terms of the ferromagnetic alloy's underlying spin-polarized electronic structure. Specifically, we report a coupling between the size of local lattice distortions and the magnitude of the local electronic spin polarization around vacancies. This causes Fe atoms to relax into lattice vacancies, while Ni atoms remain rigidly fixed to their original lattice positions. These results give atomic-scale insight into the longstanding experimental observation that Ni exhibits remarkably slow atomic diffusion in Fe-Ni alloys.

density functional theory↗
DOE OSTI2025

Indications for Freeze-Out of Charge Fluctuations in the Quark-Gluon Plasma at the LHC

The D-measure of net-charge fluctuations quantifies the variance of net charge in strongly interacting matter. It was introduced over 20 years ago as a potential signal of quark-gluon plasma (QGP) in heavy-ion collisions, where it is expected to be suppressed due to the fractional electric charges of quarks. Measurements have been performed at RHIC and LHC, but the conclusion has been elusive in the absence of quantitative calculations for both scenarios. We address this issue by employing a recently developed formalism of density correlations and incorporate resonance decays, local charge conservation, and experimental kinematic cuts. We find that the hadron gas scenario is in fair agreement with the ALICE data for $\sqrt{{𝑠}_{\textrm{NN}}}$ = 2.76 TeV Pb–Pb collisions only when a very short rapidity range of local charge conservation is enforced, while the QGP scenario is in excellent agreement with experimental data and largely insensitive to the range of local charge conservation. A Bayesian analysis of the data utilizing different priors yields moderate evidence for the freeze-out of charge fluctuations in the QGP phase relative to hadron gas. The upcoming high-fidelity measurements from LHC Run 2 will serve as a precision test of the two scenarios.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Shotgun metagenomics analysis indicates Bradyrhizobium spp. as the predominant genera for heavy metal resistance and bioremediation in a long-term heavy metal-contaminated ecosystem

ABSTRACT Ten soil cores were collected from the long-term heavy metal-contaminated Savannah River Site (SRS) and studied using shotgun metagenomics. In-line with our previous reports, Bradyrhizobium spp. dominated the SRS soils, and thus we recommend that SRS bioremediation studies target the Bradyrhizobium genus.

Agashe, Rohan↗
DOE OSTI2026

Housing Unit Level Social Vulnerability Indices for 2010 and 2020

Housing unit level demographic characteristics for SETX counties. Census years 2010 and 2020. These data are in beta testing stage, designed for use with the SETX-UIFL project. Contact Nathanael Rosenheim (nrosenheim@arch.tamu.edu) for more information. Papers using these data should include Nathanael Rosenheim in the development phase and co-authorship discussions.

Rosenheim, Nathanael↗
DOE OSTI2024

Predictive Indicators of the Performance of Large Language Models

In several mission contexts, it is desirable to estimate the performance of large language models (LLMs) on tasks that we cannot run directly. In light of published “scaling laws” our hypothesis is that some tasks should be consistently more challenging than others based on characteristics of the task. The goal of this project was to begin quantifying how much information about LLM performance can be gained from the features of a model and a task. Two of our statistical models struggled to converge. Pass/fail test results may provide limited information for inference beyond model quality and task difficulty, but we see no evidence at this time for significant feature interaction effect sizes, arguing for simple models. Future work extending the models to capitalize on perplexity of ground truth answers is suggested. This project also introduces “Depth of Knowledge Variant Testing” as a strategy for more finely assessing language models on open domain question and answer tasks. We developed sets of questions that ask a language model to produce similar information while demonstrating increasing depth of knowledge, and also relabeled existing Q&A test questions with their depth of knowledge. Our results suggest further consideration of Bloom’s taxonomy and further refinement of prompts to properly elicit information at varying depths. In the course of this work, we set up a basic infrastructure for standardizing tasks and testing many language models on these tasks. In addition to testing the predictive quality of model features and performance across test suites, with this project we have introduced two new task features to contextualize each test question: the Dewey Classification main category of information covered, and the Bloom’s taxonomy level that corresponds to the depth of knowledge probed by the question. Splits across these and other features produced over five hundred task subtypes with distinct feature vectors, which we tested on half a dozen models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Colorado State University (CSU) X-Band Precipitation Radar Plan Position Indicator Data Processed with Corrected Moments in Antenna Coordinates (CMAC) Value-Added Product Report

In 2010 the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility procured 3- and 5-cm wavelength radars for documenting the macrophysical, microphysical, and dynamical structure of precipitating systems. To maximize the scientific impact, ARM supported the development of an application chain to correct for various phenomena in order to retrieve the “point” values of moments of the radar spectrum and polarimetric measurements. We have now used the lessons learned from the processing of the 3- and 5-cm wavelength radars obtained by ARM to help process X-band radar data from the Surface Atmospheric Integrated Field Laboratory (SAIL) field campaign. This report details the motivation, science, and progress to date as well as charting a path forward.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Use of Radiofrequency Tamper Indicating Devices (RFTID) to Enhance Remotely Monitoring the Security of Advanced and Small Modular Reactors (A/SMRs)

A/SMRs will likely be deployed in remote locations that are difficult to access, thereby requiring limited on-site staff. • Vendors are considering remote monitoring as a solution to enhance nuclear security. RFTIDs are a candidate technology for maintaining nuclear security of A/SMRs but need to be evaluated for feasibility and implementation into the wider physical protection system.

O'Dowd, Kevin [Savannah River National Laboratory ↗
DOE OSTI2025

Key Performance Indicators for Vehicle Grid Integration

Electric vehicle (EV) sales account for a rapidly growing portion of the light-duty vehicle market and a portion of medium and heavy-duty fleet vehicles. However, in many locations, charging stations will require costly utility grid upgrades with long lead times. Today, there are a few methods of smart charge management (SCM) which can reduce the costs and wait times for electric vehicle supply equipment (EVSE) interconnection approvals, as well as reduce impacts of the charging stations on the grid and on EV driver transportation costs. It is crucial for the EV charging industry to understand the vehicle grid integration (VGI) requirements for EVSE to prevent adverse impacts from EVSE interconnections and assure that charging loads and interconnections are affordable.

33 - ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Optical Photometric Indicators of Galaxy Cluster Relaxation

Abstract The most dynamically relaxed clusters of galaxies play a special role in cosmological studies as well as astrophysical studies of the intracluster medium (ICM) and active galactic nucleus feedback. While high-spatial-resolution imaging of the morphology of the ICM has long been the gold standard for establishing a cluster’s dynamical state, such data are not available from current or planned surveys, and thus require separate, pointed follow-up observations. With optical and/or near-IR photometric imaging, and red-sequence cluster finding results from those data, expected to be ubiquitously available for clusters discovered in upcoming optical and millimeter-wavelength surveys, it is worth asking how effectively photometric data alone can identify relaxed cluster candidates, before investing in, e.g., high-resolution X-ray observations. Here we assess the ability of several simple photometric measurements, based on the redMaPPer cluster finder run on Sloan Digital Sky Survey data, to reproduce X-ray classifications of dynamical state for an X-ray selected sample of massive clusters. We find that two simple metrics contrasting the bright central galaxy (BCG) to other cluster members can identify a complete sample of relaxed clusters with a purity of ∼40% in our data set. Including minimal ICM information in the form of a center position increases the purity to ∼60%. However, all three metrics depend critically on correctly identifying the BCG, which is presently a challenge for optical red-sequence cluster finders.

79 ASTRONOMY AND ASTROPHYSICS↗