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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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911 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

CRADA 2022-03 Final Report: Advanced Bearing Materials for Harsh Service Conditions

Develop advanced bearing materials for hydrogen gas turbines and wind turbines. Two candidate materials have been selected based on Ames lab’s recent work on high entropy alloys and shape memory alloys. These materials are designed to exhibit a balance of hardness, strength, toughness, and corrosion resistance. The hydrogen diffusion coefficient in the NiTi based shape memory alloy is two order of magnitude lower than that of the conventional case hardened bearing steel. We plan to atomize these materials into powders, additive manufacture cylindrical bearings, then test these bearing for rolling-contact fatigue, corrosion properties, and hydrogen embrittlement. We are a vertically integrated team comprises of national labs, bearing manufacturers, raw material powders makers, and aircraft gas turbine manufacturer.

Argibay, Nicolas [Ames Laboratory (AMES), Ames, IA↗
DOE OSTI2026

AT2025ulz and S250818k: Leveraging DESI Spectroscopy in the Hunt for a Kilonova Associated with a Subsolar-mass Gravitational-wave Candidate

On 2025 August 18, the LIGO–Virgo–KAGRA collaboration reported a subthreshold gravitational-wave candidate detection consistent with a subsolar-mass neutron star merger, denoted S250818k. An optical transient, AT2025ulz, was discovered within the localization region. AT2025ulz initially appeared to meet the expected behavior of kilonova emission, the telltale signature of a binary neutron star merger. The transient subsequently rebrightened after ∼5 days and was classified as a Type IIb supernova. In this work, we analyze the observations of its host galaxy obtained by the Dark Energy Spectroscopic Instrument (DESI). From the DESI spectrum, we obtain a secure redshift of z = 0.084840 ± 0.000006. If S250818k has an astrophysical origin, this places the transient within 2σ of the gravitational-wave distance and results in an integral overlap between the gravitational-wave alert and the transient location of log 10 $\mathcal{I} ≈ 3.9 - 4.2$. Our analysis of the host galaxy’s spectral energy distribution reveals a star-forming, dusty galaxy with stellar mass ∼10 10 M ⊙ , broadly consistent with the population of both short gamma-ray bursts and core-collapse supernova host galaxies. We also present our follow-up of DESI-selected candidate host galaxies using the Fraunhofer Telescope at the Wendelstein Observatory, and show the promise of DESI for associating or rejecting candidate electromagnetic counterparts to gravitational-wave alerts. These results emphasize the value of DESI’s extensive spectroscopic dataset in rapidly characterizing host galaxies, enabling spectroscopic host subtraction, and guiding targeted follow-up.

Hall, Xander J. [Carnegie Mellon University, Pitts↗
DOE OSTI2026

Time-dependent scenario modeling for the ST-E1 fusion power plant

ST-E1 is a low aspect ratio fusion power plant being designed by Tokamak Energy targeting 1.5 GW of fusion power. Characterization of the ST-E1 flat-top scenario is described elsewhere McNamara et al (2026 Nucl. Fusion 66 086008); here we focus on addressing the question of how to ramp-up the ST-E1 plasma from an initial state following breakdown and flux-surface formation to the target flat-top state. Being low-aspect ratio, the available solenoid flux of ST-E1 is limited. Therefore, particular consideration is placed on developing ramp-up scenarios that predominantly use inductive flux provided by external vertical field coils. Through time-dependent modeling with METIS, we show that this is possible when the ramp-up is performed at relatively high plasma density: although auxiliary current drive efficiency is reduced, this is significantly outweighed by (1) higher electron-ion collisional equilibration, (2) higher fusion power once ions become sufficiently hot, (3) higher poloidal beta for increased vertical-field flux, and (4) potentially favorable exhaust compatibilities. Ultimately, we show the target ST-E1 flat-top performance can be reached after a ramp-up period lasting 150 s using less than 40 Vs of solenoid flux (with vertical field providing ∼ 90 Vs of flux). The sensitivity to model assumptions are presented, with the general observation that deleterious effects can be mitigated through minor alterations of the auxiliary power temporal waveform and/or total auxiliary power level. The impact of a solenoid and the auxiliary power mix (electron cyclotron heating only versus electron and ion cyclotron heating) on the ST-E1 ramp-up success are also discussed in appendices. On this latter topic, we show that the effect of direct-ion heating during ramp-up is obscured by the uncertainty in the pedestal dynamics, identifying a clear line of future work required to make a definite decision on the ST-E1 auxiliary power mix.

current ramp-up↗
DOE OSTI2024

Analytical Model for Atomic Relaxation in Twisted Moiré Materials

By virtue of being atomically thin, the electronic properties of heterostructures built from two-dimensional materials are strongly influenced by atomic relaxation. The atomic layers behave as flexible membranes rather than rigid crystals. Here we develop an analytical theory of lattice relaxation in twisted moiré materials. We obtain analytical results for the lattice displacements and corresponding pseudo gauge fields, as a function of twist angle. We benchmark our results for twisted bilayer graphene and twisted WSe 2 bilayers using large-scale molecular dynamics simulations. Our single-parameter theory is valid in graphene bilayers for twist angles 𝜃 ≳ 0.7°, and in twisted WSe 2 for 𝜃 ≳ 1.6°. Furthermore, we also investigate how relaxation alters the electronic structure in twisted bilayer graphene, providing a simple extension to the continuum model to account for lattice relaxation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Revealing the Hidden Third Dimension of Point Defects in Two-Dimensional MXenes

Point defects govern many important functional properties of two-dimensional (2D) materials. However, resolving the three-dimensional (3D) arrangement of these defects in multi-layer 2D materials remains a fundamental challenge, hindering rational defect engineering. Here, we overcome this limitation using an artificial intelligence-guided electron microscopy workflow to map the 3D topology and clustering of atomic vacancies in Ti3C2TX MXene. Our approach reconstructs the 3D coordinates of vacancies across hundreds of thousands of lattice sites, generating robust statistical insight into their distribution that can be correlated with specific synthesis pathways. This large-scale data enables us to classify a hierarchy of defect structures-from isolated vacancies to nanopores-revealing their preferred formation and interaction mechanisms, as corroborated by molecular dynamics simulations. This work provides a generalizable framework for understanding and ultimately controlling point defects across large volumes, paving the way for the rational design of defect-engineered functional 2D materials.

2D materials↗
DOE OSTI2024

Block copolymer self-assembly derived mesoporous magnetic materials with three-dimensionally (3D) co-continuous gyroid nanostructure

Magnetic nanomaterials are gaining interest for their many applications in technological areas from information science and computing to next-generation quantum energy materials. While magnetic materials have historically been nanostructured through techniques such as lithography and molecular beam epitaxy, there has recently been growing interest in using soft matter self-assembly. In this work, a triblock terpolymer, poly(isoprene-block-styrene-block-ethylene oxide) (ISO), is used as a structure directing agent for aluminosilicate sol nanoparticles and magnetic material precursors to generate organic–inorganic bulk hybrid films with co-continuous morphology. After thermal processing into mesoporous materials, results from a combination of small angle X-ray scattering (SAXS) and scanning electron microscopy (SEM) are consistent with the double gyroid morphology. Nitrogen sorption measurements reveal a type IV isotherm with H1 hysteresis, and yield a specific surface area of around 200 m 2 g −1 and an average pore size of 23 nm. The magnetization of the mesostructured material as a function of applied field shows magnetic hysteresis and coercivity at 300 K and 10 K. Comparison of magnetic measurements between the mesoporous gyroid and an unstructured bulk magnetic material, derived from the identical inorganic precursors, reveals the structured material exhibits a coercivity of 250 Oe, opposed to 148 Oe for the unstructured at 10 K, and presence of remnant magnetic moment not conventionally found in bulk hematite; both of these properties are attributed to the mesostructure. This scalable route to mesoporous magnetic materials with co-continuous morphologies from block copolymer self-assembly may provide a pathway to advanced magnetic nanomaterials with a range of potential applications.

Chemistry↗
DOE OSTI2025

Single‐photon emitters in PECVD‐grown silicon nitride films: from material growth to photophysical properties

Abstract Silicon nitride (SiN) is a key material for quantum photonics due to its wide transparency window, high refractive index, low optical losses, and semiconductor foundry compatibility. We study the formation of single‐photon emitters in SiN films grown by plasma‐enhanced chemical vapor deposition (PECVD), exploring their photophysical properties and dependence on growth conditions. Emitters were observed across the entire range of nitrogen‐to‐silicon precursor ratios, from silicon‐rich to nitrogen‐rich conditions, enabled by the low background fluorescence. We demonstrate single‐photon emitters in SiN films with a higher refractive index (1.8–1.9) compared to our previous reports (∼1.7). Notably, nitrogen‐rich, thinner films yield particularly bright emitters with shorter emission lifetimes, likely due to more efficient annealing. Silicon‐rich SiN films exhibit red‐shifted emission, suggesting that composition may provide a mechanism for wavelength tuning. These findings establish the feasibility of emitters formation in foundry standard PECVD tools, advancing the scalability and lab‐to‐fab transition of SiN‐based quantum photonic technologies.

Materials Science↗
DOE OSTI2025

Catalytic Borylation of Poly(vinyl chloride) Produces Adhesive Materials

Postpolymerization functionalization of polymers can create new applications for existing materials, while retaining their most favorable, intrinsic properties. Polyvinyl chloride (PVC) is a widely used, commodity polymer that is particularly challenging to modify. We report a copper-catalyzed protocol that replaces a small fraction of the C-Cl bonds in PVC with C-B bonds to boronic esters. The reaction occurs with an inexpensive catalyst comprising copper(II) chloride and an NHC ligand derived from a common ionic liquid that is distinct from the N-heterocyclic carbene (NHC) used for the borylation of small alkyl halides. The resulting materials adhere strongly to common surfaces, such as glass and metals, even more strongly than do commercial glues.

D’Angelo, Kyan A↗
DOE OSTI2026

Predicting Band-Gap of Inorganic Materials Using Neuromorphic Graph Learning

Predicting properties of inorganic materials is a heavily researched topic, with several new prediction approaches emerging as competitors. One such competitor is graph neural networks, which leverage the structure of the graph to aid in the prediction process. In this work, we propose integration of neuromorphic computation into the graph neural network pipeline. We call this approach Neuromorphic Graph Learning (NGL). We utilize the NGL approach to leverage evolutionary algorithms and a novel Spike Pipeline for Raster Analysis (SPIRE) for the prediction of band gap in inorganic materials.

Mulet, Ian [University of Tennessee (UT)]↗
DOE OSTI2025

230Th/234U radiochronometry for uranium materials by alpha spectrometry for nuclear forensics analysis

We have developed an alpha spectrometry method for 230Th/234U radiochronometry to determine the model separation age for uranium materials. This method offers an alternative to the more commonly used, but significantly more resource intensive multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) while providing similar accuracy and precision. The development included radiochemical separation of uranium and thorium, calibration of the 232U tracer and the alpha spectrometry measurement. The method was validated by analyzing a certified reference material, CRM 125-A, which is a uranium oxide pellet assay, isotopic, and radiochronometric standard. The results were compared to those obtained by our routine MC-ICP-MS 230Th/234U radiochronometry analysis method to assess the performance parameters for alpha spectrometry compared to the state-of-the-art technique.

Macsik, Zsuzsanna [Los Alamos National Laboratory ↗
DOE OSTI2026

BLEECAM™ (Benchmarking Life Cycle Environmental, Economic, and Social Metrics for Critical and Advanced Minerals and Materials) [SWR-25-125]

The National Laboratory of the Rockies' (NLR) Benchmarking Life Cycle Environmental, Economic, and Social Metrics for Critical and Advanced Minerals and Materials (BLEECAM™) is an open-source, integrated decision-support tool for evaluating the impacts, risks, and trade-offs across U.S. and global materials supply chains. Funded by the U.S. Department of Energy, BLEECAM supports supply chain and market analysis. The tool integrates multi-objective supply chain optimization, system dynamics, network design, lifecycle assessment, techno-economic modeling, and social impact assessment methods to evaluate how supply chains evolve over time, geography, and deployment scenarios. BLEECAM also supports analysis related to energy infrastructure, data centers and digital infrastructure, advanced manufacturing, and other sectors that depend on critical materials.

Khalifa, SherifA. [National Laboratory of the Rock↗
DOE OSTI2025

Effect of Entropic Constraints on the Thermodynamics of Molecular Adsorption in Nano‐Porous Materials

Abstract Gas separation is a critical industrial process that consumes a significant amount of energy due to the widely used techniques that are currently employed. Adsorptive materials—such as metal–organic frameworks (MOFs)—show promise as an energy‐efficient alternative. Of particular current interest are novel, temperature‐dependent separation processes in MOFs, such as the recently reported separation of ternary isomeric hydrocarbon mixtures within one and the same material. However, the mechanisms of these highly desirable separations remain poorly understood. Herein, through a combination of ab initio simulations and statistical mechanics, it is shown that the temperature dependence is the result of a constraint on the guest molecule's entropic degrees of freedom when loaded into the MOF, caused by the fortuitous tight fitting of the guest inside the pore. While the framework applies to all molecular adsorption in porous media, it is essential for the description of large molecules in small pores, which is demonstrated here using the separation of C6 isomers in Ca(H 2 tcpb) as a test case. The developed framework and analysis not only reveal the reason why separation occurs but also predict the temperatures at which it takes place, thus opening the door to newly designed MOFs with tailor‐made precision.

Chemistry↗
DOE OSTI2026

Excitons in van der Waals magnetic materials

Two-dimensional magnetic semiconductors provide a unique platform where long-range magnetic order coexists with strongly bound excitons. Because excitonic states and magnetic moments originate from the same electronic orbitals and couple via intrinsic exchange interactions, optical excitations in these systems exhibit pronounced sensitivity to magnetic order. Recent experiments show unusually strong magneto-optical responses and direct exciton–magnon coupling, establishing new routes for controlling light–matter interactions with spin degrees of freedom. Here, this Review surveys key developments, focusing on representative material systems, experimental signatures, and theoretical frameworks used to describe these phenomena. We conclude with perspectives on how this rapidly evolving field could enable next-generation optoelectronic and quantum technologies leveraging the coupled dynamics of light, charge and spin.

36 MATERIALS SCIENCE↗
DOE OSTI2025

H 2 O and CO 2 Sorption in Ion-Exchange Sorbents: Distinct Interactions in Amine Versus Quaternary Ammonium Materials

This article examines how water (H₂O) and carbon dioxide (CO₂) interact with two classes of ion-exchange sorbents — a primary amine sorbent and a quaternary ammonium (QA⁺) sorbent — using calorimetry, thermal gravimetric analysis, gas analysis, and molecular modeling. Here, the QA⁺ sorbent exhibits stronger binding to both H₂O and CO₂ but also shows thermal stability limitations. Mixed-gas experiments reveal that humidity strongly influences CO₂ uptake and that moisture-driven sorbent regeneration enables cyclic moisture swing CO₂ capture, with implications for low-energy CO₂ separation from dilute gas streams.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Theoretical perspective on phase stability and polarization switching in ferroelectric hafnia

Fluorite-based ferroelectric materials are revolutionizing the application space of polar semiconductors. These materials leverage robust polarization of extremely thin films, compatibility with the silicon chip processing, and decades of manufacturing experience to enable a new generation of ferroelectric memory devices. As a new paradigm for ferroelectrics, understanding of phase transitions and the switching mechanism in fluorites is essential both for advancing applications and for fundamental science. In this article, we outline the recent progress that has been made to understand the relative phase stability, phase transition and order parameter coupling, ferroelectric switching through unique nucleation and growth processes, and how defects affect these phases and processes. The main challenges, opportunities, and next steps for leveraging these materials for next-generation devices are reviewed.

Condensed Matter Physics↗