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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 NTRSDate not supplied

Solvent-Free Preparation of High Energy, Binder-Free Electrodes Enabled by Dry Compressible Holey Graphene

Graphene is an atomically thick sheet consisting of a graphitic carbon network with excellent mechanical strength, electrical and thermal conductivity, and chemical stability. Holey graphene, a structural derivative of graphene, has an array of through-the-thickness holes across the lateral surface of the nanosheet. The presence of these holes has minimal detrimental effect on the graphene properties and leads to enhanced performance in applications such as electronics, sensors, and energy storage. For example, these holes allow more facile cross-plane ion and gas transport than intact graphene, making holey graphene an ideal electrode material for electrochemical energy storage. This presentation will focus on the ability of holey graphene to be compression molded into robust articles or architectures under solvent-free conditions without the need for potentially parasitic binders. The unique dry compressibility of holey graphene has enabled facile fabrication of high mass loading electrodes with both high density and high porosity, which have found use in supercapacitors and various high-energy battery systems such as lithium-oxygen, lithium-sulfur, and lithium-selenium batteries.

Yi Lin↗
NASA NTRS2023

Long Life Molten Salt Battery for NASA Venus Application

A development program is being conducted at Advanced Thermal Batteries (ATB) to create a low discharge rate, long life, molten salt battery for a NASA Venus surface probe. Battery goals are 60 days continuous operation at +25V +0/-6 volts and -25V +6/-0 Volts under severe environments of 465°C, 92 atm pressure, and corrosive sulfur dioxide in a super critical carbon dioxide atmosphere. Conveniently, molten salt thermal battery electrochemistry starts to operate efficiently at 330°C. However, a major barrier to direct application of existing thermal battery technology is the high self-discharge rate, resulting in lifetimes in only minutes, not days. The best performance to date, which meets the required voltage regulation, has been a lithium silicon (LiSi) alloy anode discharging through all three voltage plateau versus an iron monosulfide (FeS) cathode. In order to perform reproducibly, additional engineering controls within the battery design are required to limit cell–to–cell parasitic discharge mechanisms. Results of these trials have improved the efficiency and manufacturability of the design.

Thermal Battery↗
DOE OSTI2008

Vehicle Technologies Program: Energy Storage R&D (2008 Annual Progress Report)

One of the primary objectives of the Energy Storage effort is the development of durable and affordable advanced batteries (and ultracapacitors) for use in a full range of vehicle applications, from start/stop to full-power HEVs, EVs, and PHEVs. The battery technology development activity spans three areas: system development of full battery systems; benchmark testing of emerging technologies in order to remain abreast of the latest industry developments; and Small Business Innovative Research (SBIR) to fund early-stage R&D for small businesses/entrepreneurs.

25 ENERGY STORAGE↗
DOE OSTI2024

Method of tuning physical properties of thermosets

Polymerization-induced phase separation enables fine control over thermoset network morphologies, yielding heterogeneous structures with domain sizes tunable over 1-100 nm. However, the controlled chain-growth polymerization techniques exclusively employed to regulate morphology at these length scales are unsuitable for most thermoset materials typically formed through step-growth mechanisms. By employing binary mixtures in place of the classic constituents of phase-separating thermosets—resin, curing agent, and secondary polymer—facile tunability over morphology can be achieved through a single compositional parameter. Indeed, this method yields morphologies spanning nano-scale to macro-scale, controlled by the relative reactivities and thermodynamic compatibility of the network components. Due to the connection between chain dynamics and microstructure in these materials, the tunable morphology enables exquisite control over glass transition and other physical and mechanical properties.

Jones, Brad Howard↗
NASA NTRSDate not supplied

Lunar Surface Crater Thermal Effects on Lander Radiator Performance

Lunar surface craters smaller than the spatial resolution of surface meshes used in typical Lunar surface thermal models (10 to 60 meters per pixel) may impact the accuracy of thermal model extrema predictions. The goal of this study is to investigate the thermal sensitivity of representative lander systems with realistic thermal surface orientations in bare and cratered terrain environments at relevant Artemis mission locations. This thermal analysis task investigates the impact of lunar surface craters on lander radiator performance by comparing heat rejection capability results between bare and cratered terrain environments. This study examines external body-mounted lander radiator thermal performance across varying lander heights (5.5m, 20m, 50m) and radiator orientations (horizontal, 45º tilted, and vertical) at two representative Artemis mission latitudes (-89.5ºS and -82.5ºS), spanning from the Shackleton Connecting Ridge to Mons Mouton Plateau.

Lunar Surface↗
DOE OSTI2025

Wettability of Two-Dimensional Carbon Allotropes from Molecular Simulations

Force-field Monte Carlo and Molecular Dynamics simulations are used to compare wetting behaviors of model carbon sheets mimicking neat graphene, its saturated derivative, graphane, and related planar allotropes penta-graphene, γ-graphyne, and ψ-graphene in contact with aqueous droplets or an aqueous film confined between parallel carbon sheets. Atomistic and area-integrated surface/water potentials are found to be essentially equivalent in capturing moderate differences between the wetting free energies of tested substrates. Despite notable differences in mechanical and electric properties of distinct allotropes, the predicted allotrope/water contact angles span a narrow window of weakly hydrophilic values. Contact angles in the range of 80 ± 10° indicate modest hydration repulsion incapable of competing with van der Waals attraction between carbon particles. Poor dispersibility in neat water is hence a common feature of studied materials.

Biochemistry & Molecular Biology↗
DOE OSTI2023

Surface analysis insight note: Illustrating the effect of adventitious contamination on Pt photoemission peak intensities

Adventitious carbon contaminations are not only omnipresent and used for charge referencing of XPS spectra but also can alter the apparent presence of the element peaks that span over the large spectral window of binding energies. This Insight note describes the effect of an adventitious contamination layer on Pt and presents, in brief, the approach whereby the component spectra are derived for ion beam cleaned Pt samples that can then utilize linear mathematics to peak fit said spectra thus quantifying the amount of each component including that assigned to the contamination itself of Pt metal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Revolutionizing thermal Management in Next-Generation AI data centers: Challenges and breakthrough innovations

Data centers (DCs) serve as critical infrastructure for powering the growth and evolution of AI. Next-generation AI DCs present unique challenges in thermal management driven by unprecedented computational demands. This paper provides a comprehensive summary of key stakeholder perspectives on technology gaps, infrastructure requirements, test bed needs, emerging opportunities, and preliminary solutions related to thermal management for AI DCs. It establishes six strategic pillars of thermal management for next generation AI DC: reliability, deployability, efficiency, resilience, measurability, and valorization. The discussion spans a range of critical topics, including advanced cooling technologies, thermal strategies for emerging modular and edge DCs, system-level optimization and control frameworks, infrastructure planning and grid integration designs, benchmarking approaches, and pathways for waste heat recovery and reuse. The proposed research, development, and demonstration efforts are aimed at accelerating the deployment of AI DCs while ensuring energy efficiency, reliability, safety, and regulatory compliance.

Wang, Pengtao [ORNL] (ORCID:0000000214713429)↗
NASA NTRSDate not supplied

Softening the Gap between Wöhler and Paris – New Approaches for Fatigue Analysis –

Fatigue analysis tools can vary across industries. For example, automotive engineers often use the Wöhler (S-N) approach to design for safe-life, while aerospace engineers prioritize damage tolerance and inspection intervals, relying instead on crack growth models such as Paris’ law. Although both approaches may deal with the control of cracks in similar materials, their analysis tools and material characterizations are fundamentally distinct. This divide mirrors the classic split between stress-based strength analysis and linear elastic fracture mechanics. However, modern nonlinear models that incorporate material softening, such as cohesive laws, blur this boundary and capture fracture behaviors across scales. This presentation describes the CF23 fatigue model, which uses cohesive softening to link S-N crack initiation with crack propagation rates. CF23 spans the full fatigue spectrum, from initial propagation transients to steady-state growth and threshold conditions, offering a unified framework that bridges Wöhler and Paris-based methodologies. Example applications include fatigue crack propagation transients in adhesive interfaces and skin/stiffener separation.

cohesive elements↗
NASA NTRSDate not supplied

A Case Study of AI-assisted Creation of a Thermodynamics Model of Precipitation Formation During Rapid Depressurization of a Vented Container

Precipitation may form in humid containers undergoing rapid depressurization. This precipitation may be liquid, i.e. fog, if the dewpoint is crossed above the freezing point of water, or direct snow crystallization if the dewpoint is crossed below the freezing point. Accurate modeling of this effect is potentially important for rapidly ascending vented containers in aircraft, spacecraft, and launch vehicles, as well as rapidly depressurizing vacuum chambers. A transient thermodynamics model of precipitation formation during the rapid depressurization of a container was developed in python. The model is written for a generic container and includes an optional water pool and water vapor source. Details of the model and results from several example cases spanning the full capabilities of the model, including a validation case, will be presented. Although the model is not novel, in contrast to prior works, this one was treated as a case study of the assistance of AI Large Language Models (LLMs) to create physical models. Impressions, performance, time, and cost of using AI for this task will be discussed.

precipitation↗
NASA NTRS2026

Introduction to the Special Issue on Advanced Air Mobility Noise: Predictions, Measurements and Perception

This Special Issue focuses on noise associated with Advanced Air Mobility (AAM), an emerging class of predominantly electric distributed-propulsion aircraft designed for urban and regional transportation. As these vehicles move toward certification and deployment, noise has become a central challenge for regulatory approval and public acceptance, particularly due to operations in densely populated areas and at low altitudes. The 24 contributions in this issue address three key aspects of AAM noise: prediction, measurement, and human perception. Prediction studies span a wide range of modeling fidelities, from high-resolution simulations to improved semi-analytical approaches, and examine complex aeroacoustic mechanisms including rotor interactions, turbulence ingestion, and broadband noise generation. Measurement studies, largely at model scale, provide new insights into tonal and broadband noise characteristics across configurations and operating conditions, while supporting model validation. Perception-focused contributions investigate annoyance, sound quality metrics, and auralization, emphasizing the role of context and operational factors in shaping human response. Together, these works highlight the interdisciplinary nature of AAM noise research and the need for integrated approaches to enable quieter vehicle design.

Perception↗
DOE OSTI2026

Cation-Diffusive Carbon Interlayers Stabilize Na Metal and Double the Current in Na-S Redox-Flow Batteries for Grid-Scale Energy Storage

The sodium-sulfur nonaqueous redox-flow batteries (Na-S NARFBs) using earth-abundant elements are highly attractive due to the low material cost and improved energy density for grid-scale energy storage. However, the low current performance, poor Na0/Na+ redox kinetics, and Na dendrite growth pose severe challenges. We introduce cation-diffusive layers (CDLs): thin and Na+ affinitive interlayers at the Na anode that direct Na+ transport and stabilize Na deposition. Benchmarking three archetypal materials—carbon paper (CP), glass microfiber paper (GF), and foam—across Na-Na and Na-Cu, and Na-S cells identifies CP as the optimum. CP reduces symmetric cell overpotential by more than 70%, achieves 98% Na plating-stripping efficiency, and doubles the Na-S cell current density from 0.5 to 1.0 mA cm−2 without sacrificing capacity or efficiency. Ex situ electrochemical and SEM/XPS analysis, combined with molecular dynamics (MD) studies, reveal that electron-rich carbon fibers disperse supporting salt aggregates, enrich near-surface Na+ density, and create ion transport pathways for fast Na0/Na+ exchange while mitigating membrane degradation. Because of the ion-centric mechanism, CDLs can be generalized to other metal-anode designs. Further, this work establishes CDL design rules—cationic affinity and appropriate micro/nanostructure—as a simple, scalable route to high-current, durable metal-anode flow batteries.

Wu, Wenda [ORNL] (ORCID:000900033307687X)↗
DOE OSTI2024

Integrated Approach to Post-Irradiation Examination of Nuclear Materials at Idaho National Laboratory

Idaho national Laboratory (INL) is the U.S. lead national laboratory for the Department of Energy’s Office of Nuclear Energy (DOE-NE), providing much of the nuclear research, development and demonstration capability needed to move nuclear innovation forward to deployment. INL’s Materials and Fuels Complex hosts a unique combination of personnel, facilities and infrastructure and offers the ability to perform post-irradiation examinations (PIE) of nuclear materials spanning multiple length scales. The ability to combine engineering-scale analysis and sub-microscopic characterization provides valuable insights into fuel and structural material behavior and degradation mechanisms. The holistic approach is used to accelerate these materials demonstration and deployment. Selected studies will be presented, highlighting the impact of these techniques on improving fuel reliability, safety, and efficiency, thereby advancing the development of sustainable and advanced nuclear energy technologies.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Temperature-Dependent Transport Characteristics of 2D MoS2 Channel FETs Grown Using Salt-Based Precursors

D Transition Metal Dichalcogenides (TMDs), particularly MoS2, are promising candidates for sub-10 nm Gate All Around (GAA) CMOS FETs. Salt-assisted Chemical Vapor Deposition (CVD) enable lateral MoS2 growth at atmospheric pressure and low temperatures. This work analyzes salt-based precursor-driven CVD-grown MoS2 FETs at various temperatures. MoS2 was grown using Ammonium Molybdate salt, sulfurized at 750∘C, and transferred onto p−Si3/SiO2 substrates. At room temperature, threshold voltage (VT) ranged from -35 V to -25 V, with a peak drain current of 1.2μA/μm. As temperature increased above 325K, VT shifted exponentially, and carrier mobility dropped significantly. At 400 K, the gate lost channel control, though gate leakage current remained low. These results are compared with non-salt-based MoS2 growth to assess salt precursor effects.Notice: This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (https://www.energy.gov/doe-public-access-plan).

Jones, Andrew [ORNL] (ORCID:0009000233849687)↗
DOE OSTI2026

Graphitization of banana peel – synergistic effect of Ca and other elements of the biomass on carbon structure transformation

Recently, growing interest has been observed in using calcium as an effective catalyst for graphitizing disordered carbon materials derived from biomass and bioprecursors, such as cellulose and lignin, at relatively low tem peratures (<2000 °C). Herein, it is demonstrated that in the presence of elements such as calcium, silicon, sulfur, and potassium, which are abundant in banana peel composed of cellulose and lignin base, graphitization occurs much more effectively. The addition of external calcium source, in the form of calcium carbonate, to the banana peel-derived carbon and heat-treatment of the mixture under protective atmosphere up to 1750 °C results in a significant increase in the degree of the graphitization order and local formation of graphite crystals, whereas the same preparation and heat-treatment procedure applied to carbon material derived from pristine cellulose does not lead to such effective graphitization. It is indicated that the graphitization of banana peel carbon occurs due to the synergistic effect of the external Ca-based catalyst and the internal elements present in the raw biomass, supporting the transformation of the disordered graphene-like layers into graphitic structures. These findings are important for the future production of green graphite from biomass

09 BIOMASS FUELS↗
DOE OSTI2024

X-ray linear dichroic tomography of crystallographic and topological defects

Abstract The functionality of materials is determined by their composition 1–4 and microstructure, that is, the distribution and orientation of crystalline grains, grain boundaries and the defects within them 5,6 . Until now, characterization techniques that map the distribution of grains, their orientation and the presence of defects have been limited to surface investigations, to spatial resolutions of a few hundred nanometres or to systems of thickness around 100 nm, thus requiring destructive sample preparation for measurements and preventing the study of system-representative volumes or the investigation of materials under operational conditions 7–15 . Here we present X-ray linear dichroic orientation tomography (XL-DOT), a quantitative, non-invasive technique that allows for an intragranular and intergranular characterization of extended polycrystalline and non-crystalline 16 materials in three dimensions. We present the detailed characterization of a polycrystalline sample of vanadium pentoxide (V 2 O 5 ), a key catalyst in the production of sulfuric acid 17 . We determine the nanoscale composition, microstructure and crystal orientation throughout the polycrystalline sample with 73 nm spatial resolution. We identify and characterize grains, as well as twist, tilt and twin grain boundaries. We further observe the creation and annihilation of topological defects promoted by the presence of volume crystallographic defects. The non-destructive and spectroscopic nature of our method opens the door to operando combined chemical and microstructural investigations 11,18 of functional materials, including energy, mechanical and quantum materials.

Science & Technology - Other Topics↗
DOE OSTI2025

Quantum mechanical dataset of 836k neutral closed-shell molecules with up to 5 heavy atoms from C, N, O, F, Si, P, S, Cl, Br

Abstract We introduce the Vector-QM24 (VQM24) dataset comprehensively covering all possible neutral closed-shell small organic and inorganic molecules with up to five heavy (p-block) atoms: C, N, O, F, Si, P, S, Cl, Br. All valid stoichiometries, Lewis-rule-consistent graphs, and stable conformers (identified via GFN2-xTB) were enumerated combinatorially, yielding 577k conformational isomers spanning 258k constitutional isomers and 5,599 unique stoichiometries. DFT (ωB97X-D3/cc-pVDZ) optimizations were performed for all, and diffusion quantum Monte Carlo (DMC@PBE0(ccECP/cc-pVQZ)) energies are provided for 10,793 lowest-energy conformers with up to 4 heavy atoms. VQM24 includes structures, vibrational modes, rotational constants, thermodynamic properties (Gibbs free energies, enthalpies, ZPVEs, entropies, heat capacities), and electronic properties such as atomization, electron interaction, exchange-correlation, dispersion energies, multipole moments (dipole to hexadecapole), alchemical potentials, Mulliken charges, and wavefunctions. Machine learning models of atomization energies on this dataset reveal significantly higher complexity than QM9, with none achieving chemical accuracy. VQM24 offers a rigorous, high-fidelity benchmark for evaluating quantum machine learning models.

Science & Technology - Other Topics↗
DOE OSTI2026

Superdiffusion resilience in Heisenberg chains with two-dimensional interactions on a quantum processor

Superdiffusive spin transport in the one-dimensional (1D) Heisenberg model is a key theoretical discovery in nonequilibrium quantum many-body physics. Although extensively studied in 1D systems, the breakdown and sustenance of superdiffusion in two-dimensional (2D) lattices with integrability-breaking terms, as found in real materials, remains an open question. To address this, we develop a toy model that extends the 1D Heisenberg model with a representative set of 2D interaction types and tunable strengths. Our model exhibits varying degrees of superdiffusion breakdown depending on the interaction type, spanning ballistic to diffusive regimes. We establish and justify a hierarchy of 2D interactions based on their resilience against superdiffusion breakdown: Heisenberg >𝑋⁢𝑋 > Ising. This precise control over the superdiffusive behavior also enables rigorous benchmarking of quantum hardware, and our simulations on IBM's Heron devices confirm the hardware's ability to accurately capture these many-body nonequilibrium phenomena. Overall, our results are relevant not only to simulating superdiffusion in real materials, such as the 1D Heisenberg compound KCuF3, which contains modest nonintegrable 2D terms, but also to extending superdiffusive behavior to larger 2D qubit lattices and other 2D materials.

Alagarsamy Manikandan, Keerthi Kumaran [ORNL]↗