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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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641 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Effects of Composition and Oxidation States on the Structures of Chromium-Containing Sodium Silicate Glasses: Molecular Dynamics Simulations using Machine Learning Interatomic Potentials

Chromium represents a significant challenge for the vitrification of high-level nuclear waste into silicate and borosilicate glasses due to its low solubility and variable oxidation states, which can limit the waste loading due to promotion of crystallization or phase separation during processing. In this study, we modeled chromium containing silicate glasses using molecular dynamics simulations with three machine learning interatomic potentials (MLIPs), MACE, CHGNet, and PFP were employed, to gain insights on glass composition and oxidation states on the structures of these glasses. One of the goals is to evaluate their ability of these MLIPs to accurately represent the general structure of silicate glasses and chromium local environments as a function of chromium oxidation states. Density Functional Theory (DFT) based calculations and experimental data such as neutron structure factors were used to validate the structural models. It was found that the foundation models of all three MLIPs are able to reproduce general structural features of the sodium silicate glass structure consistent with experimental and DFT data, but only CHGNet and PFP can accurately capture the oxidation states and local environment of chromium: tetrahedral for Cr6+ and octahedral for Cr3+. Furthermore, we studied the effect of varying Cr3+/ Cr6+ (Cr3+/Crtotal) ratio and total chromium content using PFP. Our results show that Cr6+ enhances network polymerization by reducing non-bridging oxygens through Na? charge compensation required due to the formation of chromate (CrO42-) species, while Cr³? acts as a network modifier that disrupts connectivity. System size effects on the structural characteristics and chromium environments were also tested using the PFP potential. This work highlights the importance of careful validation on the precision, transferability, and potential of MLIPs for modeling glasses containing transition metal elements that can exist in multiple oxidation states. It is also encouraging to see the foundational models are all three MLFFs are able to reproduce the basic sodium silicate glass structures, while suggesting additional training or refining is needed to improve the description of more complex systems containing transition metals.

Puga, Christina L.↗
DOE OSTI2026

Two-mode bosonic quoctit for high energy physics

In this work, we study a two-mode bosonic encoding of a quoctit inside a non-Abelian group-structured constellation of coherent states. This work is motivated by the importance of non-Abelian symmetry in particle physics and the desire to have transversal non-Abelian logical gates. We use the previously developed 2 T constellation of states used to encode a so-called 2 T qutrit. The fidelity of the 2 T quoctit is benchmarked against other bosonic qudits for different noise models and find it compare favorably when power constraints are considered. This paves the way for the construction of higher-dimensional qudits (e.g., a quicosotetrit with 2 T group structure) in bosonic systems with practical applications in quantum simulations of particle physics.

Kürkçüoglu, Doga Murat [Fermilab] (ORCID:000000031↗
DOE OSTI2026

Gas permeation properties of amorphous zeolitic imidazolate framework membranes made by atomic/molecular layer deposition

Amorphous metal-organic framework (MOF) membranes are desirable because they may retain some of the molecular sieving properties of their crystalline counterparts while being free of grain boundary defects, which often hinder the consistent achievement of high membrane performance. However, current methods, like melting and compression, for fabricating amorphous MOF membranes involve multi-step processes that require the formation of a crystalline membrane first, that is then amorphized, and therefore, could be challenging to scale. Here, we utilize atomic/molecular layer deposition (ALD/MLD) of diethylzinc (DEZ) and 2-methylimidazole (2mIm) to directly synthesize ultrathin amorphous zeolitic imidazolate framework (aZIF) deposits on γ-alumina-coated α-alumina supports. As the number of ALD/MLD cycles increased from 10 to 300, gas permeances decreased while ideal selectivities increased. Mixture separation factors for C3H6/C3H8, CO2/N2, and H2/C3H8 as high as 4, 37, and 194, respectively, were obtained. At 200 °C and 2.5 bar equimolar feed of H2 and C3H8, a H2/C3H8 mixture separation factor of 185 is obtained with an H2 permeance of ca. 4.15x10-8 mol/m2-s-Pa (124 GPU). Additionally, the membrane achieves a CO2/N2 mixture separation factor of 37 at 25 °C and 1 bar with a CO2 permeance of ca. 3.96x10-8 mol/m2-s-Pa (118 GPU). Considering the vast array of compositionally distinct aZIFs that can be potentially deposited by this approach, an enormously large parameter space for membrane design is emerging to be explored.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Revealing Hidden Quinones Through Diagnostic MS² Fragmentation of Peptide–Quinone Adducts

Quinones are redox-active components of natural organic matter that mediate electron transfer and influence biogeochemical processes, but many quinones in pyrogenic organic matter (PyOM) remain unresolved because they ionize poorly by mass spectrometry. Here, we present a peptide-tagging approach to improve detection of cysteine-reactive electrophiles in PyOM, with quinones expected to be a dominant subset based on reaction chemistry and selectivity experiments. A cysteine-containing peptide was used to form Michael-addition adducts, enhancing electrospray ionization and enabling untargeted screening by high-performance liquid chromatography-high-resolution tandem mass spectrometry. The method was benchmarked with five quinone standards and applied to extracts from charred plant material as a discovery-level screen for cysteine-reactive targets. We identified 98 quinone-candidate adducts (mean neutral mass ~603 Da), of which more than 70% were not detectable in native MS1 data. Among formula-assigned features, hidden quinone candidates had median (O+N)/C of 0.391 and normalized oxidation state of carbon of -0.281, consistent with relatively low polarity and low oxidation state. These results reveal a previously inaccessible pool of hidden redox-active compounds in PyOM and provide a framework for prioritizing quinone-like electrophiles for confirmation and incorporation into models of fire-driven biogeochemical cycling.

LC-MS/MS↗
NASA NTRS2026

Evidence of an Extended Period of Aqueous Alteration on the Bennu Parent Body Revealed By I-Xe Analyses

NASA’s OSIRIS-REx mission delivered to Earth 121.6 g of regolith material from asteroid Bennu on 24th September 2023. We report multi-step laser pyrolysis xenon isotopic analysis to investigate the I-Xe system in individual particles separated from aggregate material (a mixture of small particles of undefined lithology). The high sensitivity of the RELAX mass spectrometer allows us to observe small excesses of individual isotopes and separate out different components, which may not be possible using a conventional noble gas mass spectrometer. The temperature resolution of RELAX is sufficient to seek an I-Xe isochron from step heating analysis of a sample mass <100 μg, which can contribute to our understanding of the nature and timing of aqueous alteration on Bennu’s parent body. We also aim to better estimate and understand the iodine concentration of CI chondrite-like material.

S A Crowther↗
DOE OSTI2026

Evolution of magnetic bubble domains in the uniaxial ferromaget CeRu 2 Ga 2 B inferred from the Hall effect and ac magnetic susceptibility

We study the Hall effect, AC magnetic susceptibility (χ ac ), and magnetic force microscopy of the uniaxial ferromagnet CeRu 2 Ga 2 B with a centrosymmetric crystal structure. We observe a finite topological Hall effect (THE) within the ordered phase, before the magnetization is polarized by applied field. By comparing the field dependences of the area fraction of the magnetic bubbles, the derivative of χ ac , and the THE signal, we deduce that the magnetic bubbles in CeRu 2 Ga 2 B evolve from the trivial to topological spin texture with field. Our findings enable the expansion of the search for magnetic materials hosting topological spin textures to include uniaxial ferromagnets and open a new possibility to tailor the topological spin texture.

AC magnetic susceptibility↗
NASA NTRS1960

A Coaxial Flow Reactor - A Gaseous Nuclear-Rocket Concept

Aspects of a new gaseous nuclear-rocket concept are considered. The principle of this type of cavity reactor is one of maintaining the separation of two coaxial streams - fuel within propellant - rather than attaining the separation of fuel propellant gases within the cavity. An acceptably low uranium consumption rate is possible if the fuel stream can be maintained at an axial velocity which is 1/100 to 1/1000 of the propellant velocity. An elementary hydrodynamic analysis for laminar incompressible flow indicates that the average uranium core velocity may only reach 2 to 11 times the initial core velocity for a typical reactor. The results of a 1-D criticality analysis for a D2O/(235)U system show that the effect of shrinking the fuel region within the reactor cavity is not serious; the effects of moderator heating and structural materials on critical mass are also shown. Overall rocket performance calculations are made for reasonable operating conditions; these results indicate that thrusts from 25,000 to 50,000 pounds and accelerations from 10(exp -1) to 3 g are possible.

Herbert Weinstein↗
NASA NTRS1992

Air Force Phillips Laboratory Battery Program overview

Battery development and testing efforts at Phillips Laboratory fall into three main categories: nickel hydrogen, sodium sulfur, and solid state batteries. Nickel hydrogen work is broken down into a Low Earth Orbit (LEO) Life Test Program, a LEO Pulse Test Program, and a Hydrogen Embrittlement Investigation. Sodium sulfur work is broken down into a Geosynchronous Earth Orbit (GEO) Battery Flight Test and a Hot Launch Evaluation. Solid state polymer battery work consists of a GEO Battery Development Program, a Pulse Power Battery Small Business Innovation Research (SBIR), and an in-house evaluation of current generation laboratory cells. An overview of the program is presented.

House, Shaun↗
NASA NTRSDate not supplied

Digitally-Engineered Impact Resistant Aerogel Composites for MMOD Protection (DIRAC-MP)

This project implemented a digital-engineering approach to optimize the impact absorption performance of polymer aerogels and aerogel-based composites for Micrometeoroids and Orbital Debris (MMOD) containment. We developed a curated materials database and a machine-learning framework to derive composition-response relationships, enabling predictive design and targeted material selection. In support of experimental validation, a split Hopkinson pressure bar (SHPB) test rig, specifically adapted for low-density aerogel materials, was designed and built in-house. This project accelerates the development of new aerogel formulations, producing candidate materials tailored for enhanced impact-absorption behavior.

Sadeq Malakooti↗
NASA NTRS2008

Circuit with a Switch for Charging a Battery in a Battery Capacitor Circuit

A circuit for charging a battery combined with a capacitor includes a power supply adapted to be connected to the capacitor, and the battery. The circuit includes an electronic switch connected to the power supply. The electronic switch is responsive to switch between a conducting state to allow current and a non-conducting state to prevent current flow. The circuit includes a control device connected to the switch and is operable to generate a control signal to continuously switch the electronic switch between the conducting and non-conducting states to charge the battery.

Stuart, Thomas A.↗
NASA NTRSDate not supplied

Early Fire Detection System for Partial and Low Gravity Environments

We present preliminary results on the development of a fire detection system for partial and low gravity environments. A significant challenge is the design of a system with a low false alarm rate. The detection system therefore has to discriminate between combustion particles, cabin, and lunar dust. Aerosol properties are measured and cross referenced to the target detectors at the Gases and Aerosols from Smoldering Polymers (GASP) Laboratory located at the NASA Glenn Research Center. A computational fluid dynamics plume model is also employed to determine the smoke transport properties of the targeted habitats.

Early fire detectioin↗
DOE OSTI2026

Expanding the horizon of bio-naphtha beyond gasoline blend: property characterization and conversion opportunity assessment through technoeconomic and life-cycle analyses

Bio-naphtha, a common by-product of biorefineries, is expected to experience substantial growth in supply due to increasing demands for renewable diesel and synthetic aviation fuel (SAF). However, demand for bio-naphtha itself as a gasoline blendstock is limited because of the electrification of light-duty vehicles. This work investigated valorization opportunities for bio-naphtha from catalytic fast pyrolysis, hydrothermal liquefaction, Fischer–Tropsch synthesis, and hydrotreated esters and fatty acids pathways. These opportunities include producing polymer-grade olefin via steam cracking, SAF via steam cracking followed by olefin oligomerization, and renewable aromatics benzene, toluene, and xylene (BTX) and hydrogen via catalytic reforming. Process models were developed in Aspen Plus V14 and Aspen HYSYS V14 to calculate the mass and energy balances for each conversion step. Technoeconomic assessment and life-cycle analysis were conducted to evaluate the minimum fuel/product selling price, conversion cost, and life-cycle CO2 equivalent (CO2e) emission reduction. Technoeconomic assessment results suggest a minimum fuel/product selling price as low as $1.9/kg of olefins, $6.30/gal of gasoline-equivalent SAF, and $1.2/kg of BTX without any incentives. For all pathways, these prices are dominated by bio-naphtha feedstock costs, which account for at least 76% of the total cost. Compared with petroleum baselines, bio-naphtha-derived SAF, olefins, and BTX can achieve significant CO2e emission reductions from the use of renewable carbon resources. The results of life-cycle analysis and subsequent technoeconomic assessment, incorporating carbon credits, indicate the economic viability of using bio-naphtha for polymer-grade olefin and BTX production, with product costs comparable to market prices.

Xu, Shuang↗
DOE OSTI2021

AI-Batt (Autonomous Identification of Battery Life Models) [SWR 21-36]

Autonomous Identification of Battery Life Models (AI-Batt) AI-Batt is a MATLAB code base for developing lifetime models for batteries from accelerated aging data. The code base provides many functions for processing, visualizing, and modeling battery aging data, making the data processing, exploration, and modeling workflow substantially faster. These tools are tailored for working with battery aging data sets, which usually consist of many separate time-series for each cell, with many test conditions and possible replicates at each condition, which makes it difficult to simply process or visualize the data set. Complex modeling tasks, such as cross-validation, sensitivity analysis, and uncertainty quantification have been implemented to enable thorough statistical investigation of model predictions. Additionally, several machine-learning algorithms are implemented to autonomously identify suitable models via symbolic regression. Data processing functions automatically cast data from the struct data type, which is commonly used to store experimental data, but is not an acceptable input for most algorithms, to the table data type, which can be easily used as input to any optimization algorithm. Also, the data can be separated into time-invariant and time-variant data tables, which is helpful for exploring the data set as well as developing separate models for time-variant and time-invariant aging mechanisms. For example, in aging tests with constant temperature, temperature is a time-invariant experimental condition. Visualization tools enable plotting of data, model fits, and model simulations possible with single-line function calls, empowering data exploration of complex data sets with both time-varying and time-invariant trends. Plots can be automatically generated for the whole data set, or separated by data group (groups of test replicates) or individual data series. Data points or data series can be automatically colored by the value of a variable with a variety of color maps, and model predictions can also be colored by the value of a fit statistic. Comparisons between data sets and the predictions/simulations of different models on the same data set can be easily plotted as well. Distributions of parameter values from bootstrap resampling can be plotted to visualize the reliability of parameter estimation, or determine any correlations between parameters. Modeling tools handle the complex task of creating and parsing symbolic equations for modeling battery lifetime. Equations are parsed to grab relevant data variables, parameter values, or specified sub-models for input into optimization, evaluation, or simulation functions. Models can be optimized locally (one set of parameters for each data series), bi-level (some parameters shared across the data set), or globally (single set of parameters for all data). Functions implementing symbolic regression algorithms help users to discover effective model equations, even in poorly sampled, high-dimensional data.

Smith, Kandler [National Renewable Energy Lab. (NR↗
DOE OSTI2026

Ultrafast One-Dimensional Peierls-Distortion Dynamics in 1⁢T′−Re⁢S 2 Revealed by 4D Electron Microscopy

Rhenium disulfide (ReS 2 ), a prototypical 2D semiconductor with an anisotropic 1⁢T′ structure due to the pronounced Peierls distortion, has demonstrated great potential for polarization-dependent optoelectronics and photonics. Here, we report an ultrafast phase transition occurring within 1 ps, accompanied by a one-dimensional Peierls-distortion relaxation in 1⁢T′−ReS 2 revealed with combined 4D electron microscopy and time-dependent density functional theory calculations. Upon femtosecond laser pulse excitation, the Re-Re dimerization morphology rapidly transforms from a diamond cluster to zigzag chains and persists for several nanoseconds. Here, this ultrafast Peierls-distortion relaxation is further verified by transient changes in optical anisotropy via polarization-dependent transient absorption spectroscopy. Time-dependent density functional theory calculations attribute this novel phase transition to strong correlation between Peierls distortion and impulsive photoexcited carrier doping, predicting a transient band-gap collapse. This Letter opens up an exciting avenue for ultrafast control of Peierls-distortion-induced anisotropy and the metal-insulator transition in 1⁢T′−ReS 2 .

1T’-ReS2↗
NASA NTRS1997

Galileo Probe Battery System

The conclusions of the Galileo probe battery system are: the battery performance met mission requirements with margin; extensive ground-based and flight tests of batteries prior to probe separation from orbiter provided good prediction of actual entry performance at Jupiter; and the Li-SO2 battery was an important choice for the probe's main power.

Dagarin, B. P.↗
DOE OSTI2026

Rapid Coal-Ash Characterization using Geophysical Methods & Machine Learning

Coal combustion products (CCP) are challenging to delineate in heterogeneous field settings. Conventional methods (test pits, coring, and laboratory analyses) are labor-intensive, slow, invasive, and provide sparse spatial coverage. This study evaluates whether rapid non-invasive geophysical screening methods—induced polarization (IP), magnetic susceptibility, and nuclear magnetic resonance (NMR) —combined with surface colorimetry (RGB_24), can discriminate CCP-soil mixtures and provide reliable estimates of CCP content. Laboratory measurements were collected on five CCP-soil mixtures (series) and modeled using (i) a linear baseline, (ii) a calibrated non-linear (power-mean) model, and (iii) a machine-learning (ML) Random Forest approach, with validation via leave-one-series-out and site-specific tests. Across the five series, individual signals—particularly IP and magnetic susceptibility—were strongly predictive of ash content but were consistently outperformed by combined models. The pooled calibrated non-linear and ML models captured the observed non-linearity and achieved high accuracy and precision, improving on linear fits. Colorimetry showed the weakest direct relationship with ash content for the tested samples but improved performance when included in multi-signal models. At pre-selected 3.5% decision threshold, calibrated and ML approaches yielded near-perfect classification (Matthews correlation coefficient ˜ 1), suggesting strong practical operability for field screening. Additionally, field-analog tests highlighted the role of endmembers—accuracy declined without access to end-member measurements but was largely recovered by collecting a minimal labeled pair for local recalibration. With end members, accuracy remained high. Globally trained models performed well on three operational unknowns; however, series-specific refits provided the most accurate predictions. Overall, these results highlight the potential of combining rapid geophysics and minimal local calibration for improved coal-ash delineation.

Peshtani, Klaudio↗
DOE OSTI1996

Nuclear Safety [Vol. 37, No. 2, April-June 1996]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 97 The Nuclear Community and the Public: Cognitive and Cultural Influences on Thinking About Nuclear Risk, M. A. Meyer; 109 Twenty-Third Water Reactor Safety Information Meeting, D. A. Copinger; ACCIDENT ANALYSIS: 126 Analysis of a PWR LBLOCA Without SCRAM, Trevor N. Tyler, Rafael Macian-Juan and John H. Mahaffy; DESIGN FEATURES: 139 Vulnerability of Multiple-Barrier Systems, N. C. Lind; ENVIRONMENTAL EFFECTS: 149 A Study of Wet Catalytic Oxidation of Radioactive Spent Ion Exchange Resin by Hydrogen Peroxide, Xingchao Jian, Tianbao Wu, and Guichun Yun; 157 A Comparison Study and Resolution of Differences Between Emergency Response and Safety Analysis Codes Used at the Savannah River Site, A. A. Simpkins; OPERATING EXPERIENCES: 164 Reactor Shutdown Experience, Compiled by J. W. Cletcher; RECENT DEVELOPMENTS: 167 Reports, Standards, and Safety Guides, D. S. Queener; 172 Proposed Rule Changes as of Dec. 31,1995; ANNOUNCEMENTS: 178 American Nuclear Society 1997 Annual Meeting; 178 American Nuclear Society Nuclear Criticality and Safety Division Topical Meeting; 176 The Authors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2025

The Shape Effect: Influence of 1D and 2D Boron Nitride Nanostructures on the Radiation Shielding, Thermal, and Damping Properties of High-Temperature Epoxy Composites

In space exploration, lightweight multifunctional materials capable of shielding neutron radiation, dissipating heat, and providing damping are essential. Polymer composites reinforced with boron nitride (BN) nanomaterials—specifically one-dimensional boron nitride nanotubes (BNNTs) and two-dimensional boron nitride nanoplatelets (BNNPs)—offer promising solutions. This study investigates how BN nanomaterial morphology influences the performance of high-temperature (HT) epoxy composites. We developed ultralightweight, three-dimensional BN foams comprising 1D BNNTs, 2D BNNPs, and hybrid 1D BNNT/2D BNNP structures via freeze-drying, then infiltrated them with HT epoxy to form dense composites. The BNNT foam exhibited the highest neutron radiation shielding, with a mass absorption coefficient of 26.64 cm2 g −1 , outperforming the hybrid foam (18.18 cm 2 g −1 ) and the BNNP foam (11.12 cm 2 g −1 ). A similar trend was observed in the HT epoxy composites; incorporating these foams at least doubled the mass absorption coefficient compared to the neat polymer. In terms of thermal conductivity, the BNNT/BNNP foam-epoxy composite achieved the highest value of 0.34 W m −1 K −1 , a 2.13-fold increase over neat HT epoxy. The BNNT/BNNP foam-epoxy composites also improved by 1.88 and 1.75 times, respectively. Mechanical testing revealed that BNNP foams withstood the highest loads during nanoindentation (3.53 kN), followed by BNNT/BNNP foams (1.93 kN) and BNNT foams (1.56 kN). All BN foam-epoxy composites exhibited enhanced damping properties, with tan δ increasing by at least 30 % compared to neat HT epoxy. These findings elucidate the impact of BN nanomaterial morphology on the multifunctional performance of HT epoxy composites, offering insights for developing high-performance, tailorable materials for demanding environments.

Kazue Orikasa↗