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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
DOE OSTI2025

Wave ripples formed in ancient, ice-free lakes in Gale crater, Mars

Symmetrical wave ripples identified with NASA’s Curiosity rover in ancient lake deposits at Gale crater provide a key paleoclimate constraint for early Mars: At the time of ripple formation, climate conditions must have supported ice-free liquid water on the surface of Mars. These features are the most definitive examples of wave ripples on another planet. The ripples occur in two stratigraphic intervals within the orbitally defined Layered Sulfate Unit: a thin but laterally extensive unit at the base of the Amapari member of the Mirador formation, and a sandstone lens within the Contigo member of the Mirador formation. In both locations, the ripples have an average wavelength of ~4.5 centimeters. Internal laminae and ripple morphology show an architecture common in wave-influenced environments where wind-generated surface gravity waves mobilize bottom sediment in oscillatory flows. Their presence suggests formation in a shallow-water (<2 meters) setting that was open to the atmosphere, which requires atmospheric conditions that allow stable surface water.

Science & Technology - Other Topics↗
DOE OSTI2025

Divergent evolution of slip banding in CrCoNi alloys

Abstract Metallic materials under high stress often exhibit deformation localization, manifesting as slip banding. Over seven decades ago, Frank and Read introduced the well-known model of dislocation multiplication at a source, explaining slip band formation. Here, we reveal two distinct types of slip bands (confined and extended) in compressed CrCoNi alloys through multi-scale testing and modeling from microscopic to atomic scales. The confined slip band, characterized by a thin glide zone, arises from the conventional process of repetitive full dislocation emissions at Frank–Read source. Contrary to the classical model, the extended band stems from slip-induced deactivation of dislocation sources, followed by consequent generation of new sources on adjacent planes, leading to rapid band thickening. Our findings provide insights into atomic-scale collective dislocation motion and microscopic deformation instability in advanced structural materials.

Science & Technology - Other Topics↗
DOE OSTI2024

Eliminating chemo-mechanical degradation of lithium solid-state battery cathodes during >4.5 V cycling using amorphous Nb2O5 coatings

Abstract Lithium solid-state batteries offer improved safety and energy density. However, the limited stability of solid electrolytes (SEs), as well as irreversible structural and chemical changes in the cathode active material, can result in inferior electrochemical performance, particularly during high-voltage cycling (>4.3 V vs Li/Li + ). Therefore, new materials and strategies are needed to stabilize the cathode/SE interface and preserve the cathode material structure during high-voltage cycling. Here, we introduce a thin (~5 nm) conformal coating of amorphous Nb 2 O 5 on single-crystal LiNi 0.5 Mn 0.3 Co 0.2 O 2 cathode particles using rotary-bed atomic layer deposition (ALD). Full cells with Li 4 Ti 5 O 12 anodes and Nb 2 O 5 -coated cathodes demonstrate a higher initial Coulombic efficiency of 91.6% ± 0.5% compared to 82.2% ± 0.3% for the uncoated samples, along with improved rate capability (10x higher accessible capacity at 2C rate) and remarkable capacity retention during extended cycling (99.4% after 500 cycles at 4.7 V vs Li/Li + ). These improvements are associated with reduced cell polarization and interfacial impedance for the coated samples. Post-cycling electron microscopy analysis reveals that the Nb 2 O 5 coating remains intact and prevents the formation of spinel and rock-salt phases, which eliminates intra-particle cracking of the single-crystal cathode material. These findings demonstrate a potential pathway towards stable and high-performance solid-state batteries during high-voltage operation.

Science & Technology - Other Topics↗
DOE OSTI2025

Structure–Property Linkage in Alloys Using Graph Neural Network and Explainable Artificial Intelligence

Deep learning tools have recently shown significant potential for accelerating the prediction of microstructure–property linkage in materials. While deep neural networks like convolution neural networks (CNNs) can extract physics information from 3D microstructure images, they often require a large network architecture and substantial training time. In this research, we trained a graph neural network (GNN) using phase field generated microstructures of Ni-Al alloys to predict the evolution of mechanical properties. We found that a single GNN is capable of accurately predicting the strengthening of Ni-Al alloys with microstructures of varying sizes and dimensions, which cannot otherwise be done with a CNN. Additionally, GNN requires significantly less GPU utilization than CNN and offers more interpretable explanation of predictions using saliency analysis as features are manually defined in the graph. We also utilize explainable artificial intelligence tool Bayesian Inference to determine the coefficients in the power law equation that governs coarsening of precipitates. Overall, our work demonstrates the ability of the GNN to accurately and efficiently extract relevant information from material microstructures without having restrictions on microstructure size or dimension and offers an interpretable explanation.

Chemistry↗
DOE OSTI2026

In situ studies on heavy ion irradiation and partial oxidation induced stacking faults and nanograins in tungsten nanolaminates

Understanding the microstructural evolution of tungsten (W) under extreme irradiation environments is critical for its application as a plasma-facing material in future fusion reactors. Heavy ion irradiation study offers expedited damage accumulation and thus allows irradiation tolerance property prediction in a short period of time. In this study we explore in situ Kr ion irradiation of W nanolaminates at 800 °C and uncover a complex interplay of irradiation-induced transformations, including the emergence of stacking faults, nanograin formation, and generation of thickened grain boundaries defined as GB regions with the thickness of up to 15 nm. High-resolution transmission electron microscopy studies reveal the formation of extended planar faults and a metastable hexagonal close-packed (hcp) phase within the body-centered cubic (bcc) matrix. These structural transitions are facilitated by irradiation-induced shear. They are further stabilized by the presence of oxygen, which promotes stacking fault formation and vacancy trapping. Elevated temperatures enhance defect mobility, enabling dynamic recrystallization into ultrafine grains and the thickening of GBs due to defect absorption and impurity segregation. These findings unravel non-equilibrium phase transformation pathways in heavy ion irradiated W and highlight the critical role of impurity-mediated defect dynamics in governing its radiation tolerance properties.

Wazeer, Adil [Purdue University]↗
DOE OSTI2024

Real-space visualization of a defect-mediated charge density wave transition

Here, we study the coupled charge density wave (CDW) and insulator-to-metal transitions in the 2D quantum material 1T-TaS 2 . By applying in situ cryogenic 4D scanning transmission electron microscopy with in situ electrical resistance measurements, we directly visualize the CDW transition and establish that the transition is mediated by basal dislocations (stacking solitons). We find that dislocations can both nucleate and pin the transition and locally alter the transition temperature T c by nearly ~75 K. This finding was enabled by the application of unsupervised machine learning to cluster five-dimensional, terabyte scale datasets, which demonstrate a one-to-one correlation between resistance—a global property—and local CDW domain-dislocation dynamics, thereby linking the material microstructure to device properties. This work represents a major step toward defect-engineering of quantum materials, which will become increasingly important as we aim to utilize such materials in real devices.

4D-STEM↗
DOE OSTI2026

Detecting the full photoemission cone from laser-based ARPES experiments by leveraging deflector technology

Angle-resolved photoemission spectroscopy (ARPES) provides a direct access to the electronic band structure of solid and molecular systems. The momentum range accessible by this technique depends directly on the photon energy used, and low-photon-energy sources are insufficient to photoemit electrons over the full Brillouin zone of most quantum materials. In addition, while electrons are emitted over a 2π solid angle, conventional hemispherical analyzers only collect a small subset of those electrons. A previous work [Gauthier et al., Rev. Sci. Instrum. 92, 123907 (2021)] demonstrated that electrons emitted over a larger field-of-view can be acquired in one fixed configuration by accelerating them toward the analyzer with a bias voltage. Here, in this study, we extend this work by leveraging the deflector technology of novel ARPES hemispherical analyzers. We demonstrate the ability to detect all 2π photoemitted electrons in a fixed configuration for various materials, such as gold, cuprates, and transition-metal dichalcogenides. This approach is especially advantageous for time-resolved ARPES, as electron dynamics over a large momentum range can be accessed with identical measurement conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

First in operando transient grating spectroscopy measurements on tungsten during high flux plasma operation in PISCES-RF

This work details the construction and first in operando transient grating spectroscopy measurements conducted on PISCES-RF during plasma operation. A preliminary study on a tungsten sample with varied plasma species (Ar and D 2 ), ion flux (4 × 10 21 to 6 × 10 22 ion/m 2 /s), ion energy (5 to 80 eV), and surface temperature (20 to 200 °C) is presented. Prior to plasma exposure, the thermal diffusivity and surface acoustic wave (SAW) speed, (6.9 ± 0.2) × 10 −5 m 2 /s and (2.66 ± 0.02) km/s, were measured in situ with a thermal grating period of 12.5 μm. During Ar plasma exposure, these two quantities vary according to the sample surface temperature. At low flux and varied ion energy, D 2 plasma exposure also results in thermal diffusivity and SAW speed varying with surface temperature alone. At high flux, D 2 plasma exposure results in no convincing change to the thermal diffusivity, but the SAW speed is reduced. After returning to 20 °C, post plasma exposures, the thermal diffusivity and SAW speed almost recover to the initial value prior to exposure.

Surface acoustic wave SAW↗
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 OSTI2026

Dimensional Reduction for Sampled Priors and Application to Photometric Redshift Distributions

A typical Bayesian inference on the values of some parameters of interest q from some data D involves running a Markov Chain (MC) to sample from the posterior $p$($q$,$n$|$D$) $\propto$ $\mathcal{L}$($D$|$q$,$n$)$p$(q)$p$($n$), where n are some nuisance parameters with a separable prior. In some cases, the nuisance parameters are high-dimensional, and their prior p(n) is itself defined only by a set of samples that have been drawn from some other MC. The MC for the posterior will typically require evaluation of p(n) at arbitrary values of n, i.e., one needs to provide a density estimator over the full n space from the provided samples. But the high dimensionality of n hinders both the density estimation and the efficiency of the MC for the posterior. We describe a solution to this problem: a linear compression of the n space into a much lower-dimensional space u, which projects away directions in n space that cannot appreciably alter $\mathcal{L}$. The algorithm for doing so is a slight modification to principal components analysis, and is less restrictive on p(n) than other proposed solutions to this issue. We demonstrate this “mode projection” technique using the analysis of 2-point correlation functions of weak lensing fields and galaxy density in the Dark Energy Survey, where n is a binned representation of the redshift distribution n(z) of the galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Dust Survival in Galactic Winds

This repository contains three-dimensional volumetric data from an Eulerian hydrodynamical simulation (conducted on a uniform Cartesian grid) generated by the Cholla hydrodynamics code. The datasets contain snapshots (full-grid, projections, and slices) in the HDF5 format of a multi-phase medium in which a hot, diffuse, dust-free background wind accelerates a cool, dense cloud of gas and dust. This scenario is intended to represent a supernova-driven galactic outflow, in which hot supernova winds are thought to accelerate cool interstellar medium material out of the galactic disk into the surrounding circumgalactic medium. There are three separate datasets for simulations corresponding to three cloud evolutionary scenarios: long-term cloud survival (surv), marginal cloud survival (disr), and cloud destruction (dest). Projection and slice images of the simulations are also included in this repository.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Enhancing Charge Storage of Mo 2 Ti 2 C 3 MXene by Partial Oxidation

Abstract Driving the pseudocapacitive redox intercalation in 2DMXenes with neutral electrolytes is important for safer, more sustainable, and improved electrochemical charge storage. Single transition metal MXenes, such as Ti 3 C 2 , have shown great promise for energy storage, owing to their high conductivity and redox activity. Mixed metallic MXenes, such as out‐of‐plane ordered Mo 2 Ti 2 C 3 , have remained underexplored in energy storage because of the absence of redox activity in most of the electrolytes. Simultaneous structural modifications and instigating intercalation pseudocapacitance in neutral electrolytes could be a viable strategy for enhancing their electrochemical properties. Herein, a facile synthesis of partially oxidized Mo 2 Ti 2 C 3 MXene (PO‐Mo 2 Ti 2 C 3 ) exhibiting improved charge storage capability is demonstrated. Optical, structural, and spectroscopic analyses indicate the formation of oxide nanostructures upon thermal oxidation of Mo 2 Ti 2 C 3 . This leads to an enhanced energy storage capability with remarkably improved cyclability as well as a high Coulombic efficiency in a neutral LiCl electrolyte. This work highlights the importance of structural modifications of MXenes to enhance their charge storage and shows the promise of less explored double transition metal MXenes in energy storage.

Chemistry↗
DOE OSTI2025

Interaction of magnetic fields with spinons in a fractionalized state

The 4d-electron trimer lattice Ba₄Nb₁₋ₓRu₃₊ₓO₁₂ exhibits either a quantum spin liquid (QSL) or a heavy-fermion strange metal (HFSM) phase, depending on Nb content. In the QSL state, itinerant spinons act as effective heat carriers, enhancing thermal conductivity. Strikingly, applying a magnetic field up to 14 T causes an abrupt, up-to-5000% increase in heat capacity below 150 mK, disrupting the linear temperature dependence typical of both phases. Meanwhile, AC susceptibility and electrical resistivity remain nearly unchanged, while thermal conductivity drops by up to 40% below 4 K. These results suggest spinons, despite being charge-neutral, are highly sensitive to magnetic fields at low temperatures. We propose that the magnetic field could induce Anderson localization of spinons, creating emergent non-magnetic two-level systems responsible for the Schottky-like anomaly in heat capacity. These findings point to a previously unexplored regime of spinon dynamics, potentially governed by field-induced localization and distinct from conventional magnetic or transport signatures.

Condensed-matter physics↗
DOE OSTI2024

Sustainable Production of Biomass‐Derived Graphite and Graphene Conductive Inks from Biochar

Abstract Graphite is a commonly used raw material across many industries and the demand for high‐quality graphite has been increasing in recent years, especially as a primary component for lithium‐ion batteries. However, graphite production is currently limited by production shortages, uneven geographical distribution, and significant environmental impacts incurred from conventional processing. Here, an efficient method of synthesizing biomass‐derived graphite from biochar is presented as a sustainable alternative to natural and synthetic graphite. The resulting bio‐graphite equals or exceeds quantitative quality metrics of spheroidized natural graphite, achieving a RamanI D /I G ratio of 0.051 and crystallite size parallel to the graphene layers (L a ) of 2.08 µm. This bio‐graphite is directly applied as a raw input to liquid‐phase exfoliation of graphene for the scalable production of conductive inks. The spin‐coated films from the bio‐graphene ink exhibit the highest conductivity among all biomass‐derived graphene or carbon materials, reaching 3.58 ± 0.16 × 10 4 S m −1 . Life cycle assessment demonstrates that this bio‐graphite requires less fossil fuel and produces reduced greenhouse gas emissions compared to incumbent methods for natural, synthesized, and other bio‐derived graphitic materials. This work thus offers a sustainable, locally adaptable solution for producing state‐of‐the‐art graphite that is suitable for bio‐graphene and other high‐value products.

Chemistry↗
DOE OSTI2023

A physics informed bayesian optimization approach for material design: application to NiTi shape memory alloys

Abstract The design of materials and identification of optimal processing parameters constitute a complex and challenging task, necessitating efficient utilization of available data. Bayesian Optimization (BO) has gained popularity in materials design due to its ability to work with minimal data. However, many BO-based frameworks predominantly rely on statistical information, in the form of input-output data, and assume black-box objective functions. In practice, designers often possess knowledge of the underlying physical laws governing a material system, rendering the objective function not entirely black-box, as some information is partially observable. In this study, we propose a physics-informed BO approach that integrates physics-infused kernels to effectively leverage both statistical and physical information in the decision-making process. We demonstrate that this method significantly improves decision-making efficiency and enables more data-efficient BO. The applicability of this approach is showcased through the design of NiTi shape memory alloys, where the optimal processing parameters are identified to maximize the transformation temperature.

Chemistry↗
DOE OSTI2026

Heat exposure and maternal stress: evidence from the GRAPHS pregnancy cohort in Ghana

Heat exposure has been linked to psychosocial stress, an established antecedent of perinatal depression; however, evidence on heat-related stress during pregnancy in sub-Saharan Africa remains limited. We analyzed psychosocial stress scores and covariate data from the Ghana Randomized Air Pollution and Health Study, linking daily maximum and minimum shaded wet bulb globe temperature (WBGT) metrics to participants’ stress scores derived from the Crisis in Family Systems-Revised Life Events Questionnaire. We evaluated associations using ordinal logistic regression of pregnancy-average and trimester-average exposures and distributed lag non-linear models (DLNMs) to assess time-varying associations across gestation. Higher average maximum WBGT exposure across pregnancy was associated with increased odds of higher psychosocial stress; each 1 °C increase in maximum WBGT was associated with 64% higher odds of belonging to a higher stress category (OR = 1.64; 95% CI = 1.17–2.31; p = 0.0040). In trimester-average models, higher first-trimester maximum WBGT was also associated with higher stress (OR = 1.44; 95% CI = 1.15–1.81; p = 0.0014). DLNMs suggested that relatively cooler daily maximum WBGT values (25th percentile) were associated with decreased odds of stress in early pregnancy, whereas extreme daily maximum WBGT values (99th percentile) showed a pattern consistent with increased odds of stress in mid-to-late gestation. These findings highlight gestational windows in which heat exposure may influence stress, emphasizing the need for further research into underlying mechanisms and effective interventions to protect maternal mental health in heat-vulnerable settings.

White, Lewis [Columbia University] (ORCID:00090005↗