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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Computational alchemy clarifies origins of alloy strengthening

Solid solution strengthening (SSS) is widely used to enhance mechanical properties of metals. Originally developed for dilute alloys, classical SSS theories are presently challenged by the rise of complex concentrated alloys (CCA) with nearly equiatomic compositions. Here, we propose and develop a method of “computational alchemy” in which interatomic interactions are modified to systematically vary two key physical parameters defining SSS - atomic size misfit and elastic stiffness misfit - over a maximally wide range of two misfits. The resulting alchemical alloys are subjected to massive (~10 8 atoms) molecular dynamics (MD) simulations reproducing full complexity of plastic strength response. At variance with prevailing views, stiffness misfit is observed to contribute to SSS on par if not more than size misfit. Furthermore, depending on exactly how two misfits are combined, they result in synergistic (amplification) or antagonistic (compensation) effect on alloy strengthening. Unlike real CCAs in which each component element comes with its own specific size and stiffness, our alchemical model alloys span the space of two misfits continuously revealing trends in alloy strengthening unrecognized so far. Our study demonstrates unique value of intentionally unrealistic models for gaining deep physical insights into material behaviors that are difficult to reveal otherwise.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Organic molecules are deterministically assembled in variably inundated river sediments, but drivers remain unclear

Dissolved organic matter (DOM) is central to ecosystem function. A fundamental challenge is understanding the processes leading to variation in the chemistry of organic molecules that comprise DOM. Here we study these processes in variably inundated riverbed sediments, as an understudied, yet ubiquitous component of rivers. Using null-model approaches adopted from community ecology, we found that within-site variation in environmental conditions caused non-random (i.e., deterministic) shifts in DOM chemistry. Deterministic shifts were observed across diverse biomes, though the strength of determinism varied substantially. We found that the strength of determinism decreased with increasing sediment moisture, but in the form of a constraint space. Many systems fell below the upper constraint boundary, however. We propose a conceptual model based on our results and other publications in which DOM assemblages are hypothesized to be increasingly deterministic across the continuum from the river water column to saturated sediment pore spaces to unsaturated and dry soils/sediments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Defect-engineered GaN high electron mobility transistors for enhanced radiation tolerance

This study explores the radiation resilience of GaN high-electron-mobility transistors (HEMTs) under various preconditioning treatments—pristine, electro-pulsed, electrically overstressed, and 60 Co gamma-irradiated—with a focus on enhancing survivability in high-radiation environments. Key findings emphasize the gate region’s central role in radiation sensitivity, with increased defect concentrations leading to reduced sensitivity—as determined from reduced single-event transient intensities during pulsed-laser studies—and impacting charge-transport dynamics. Notably, the most sensitive region shifted as a function of bias state, with the drain side of the gate being most sensitive under negative gate bias and the source side under unbiased conditions due to two-dimensional electron gas disruptions. These insights clarify the mechanisms influencing radiation sensitivity in microelectronics and highlight the potential of defect and strain engineering to enhance the radiation hardness of GaN HEMTs across various operational states, providing valuable guidance for applications in space, defense, and other radiation-rich environments.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Fabrication of ceramic to metal graded structure for high temperature CSP receiver application using solid state additive manufacturing

The overarching goal of this project is to come up with an innovative joining solution for integration of SiC ceramic to structural materials such as stainless steels (SS)/Ni-base alloys, where intimate metallurgical bonding between SiC ceramic and the structural metallic alloy is demonstrated at the interface. Implementation of a simple, yet robust joining method would help in increasing the application space of SiC in a high-temperature CSP (concentrated solar power) plant, especially in the receiver section. This research goal has been achieved by creating a functionally graded material (FGM) interface between SiC and the selected structural material with the help of powder metallurgy (PM) approach and demonstrate intimate metallurgical bonding between monolithic RB-SiC and 316L stainless steel alloy blanks.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Data-driven multi-element substitution of TiFe alloys for tunable thermodynamics and enhanced activation behaviour for hydrogen storage

Due to their high volumetric hydrogen storage capacity under moderate storage conditions, TiFe alloys have been widely investigated as candidates for practical solid-state hydrogen storage. Partially substituting Ti or Fe sites can improve the key characteristics of TiFe alloys, such as the first hydrogen absorption step (activation) and the equilibrium hydrogen pressure (thermodynamic properties). However, the selection of substitution elements has heavily relied on intuition and trial-and-error. Also, conventional substitution strategies have mainly focused on single-element substitution within the TiFe alloy, limiting the design space and tunability for target applications. Here, to address this limitation, we report a multi-element substitution strategy motivated by an efficient, data-driven machine learning (ML) approach combined with corroborating density functional theory (DFT) calculations. Our models successfully predict experimentally measured hydride stability in five selected alloys using only compositional descriptors. Most importantly, the multi-element substitution leads to enhanced activation properties compared to pure TiFe, achieving near room-temperature activation behaviour. This work provides a method for on-demand tuning of hydrogen storage and activation properties, which may have broad implications for data-driven discovery of energy storage materials.

Cho, YongJun [Korea Advanced Institute Science and↗
DOE OSTI2026

Throughput Estimation of Data Transport Networks From Digital Twin Measurements

Digital twins of networked infrastructures, known as Virtual Infrastructure Twins (VITs), are increasingly used for software development, pre-deployment testing, and design space exploration. While VITs avoid the costs and potential disruptions associated with experiments on operational networks, their throughput measurements are typically not sufficiently accurate for performance profiling of wide-area networks that they emulate. Here, machine learning (ML) methods are developed to transform these inaccurate VIT network throughput measurements to closely match in peak and overall profile of those from a physical testbed or production network. First, a micro kernel network reflecting a physical network is utilized to collect one-time measurements on a host to support this ML transformation. Then, a generic multi-modal ML method is developed to learn a map that transforms measurements from subsequent VITs on the same host to match past, current and follow-on testbed and cloud networks. ML generalization equations are derived to establish its correctness and probabilistically guarantee its generalization accuracy. Experimental results are presented for a variety of VIT hosts with target testbed and cloud networks; they include a case study of a four-site science ecosystem wherein inaccurate convex VIT measurement profiles are transformed into accurate concave profiles of target networks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Updraft Width Modulates Ambient Atmospheric Controls on Convective Cloud Depth

Abstract The depth of convective clouds affects vertical transport of atmospheric constituents, influencing downstream weather and climate. Atmospheric controls on the maximum depth reached by moist convection are investigated with radar‐tracked convective cells tagged with sounding‐derived atmospheric parameters from a field campaign in central Argentina. Regression analyses show that narrow (<12‐km diameter) and wide (>16‐km diameter) cell depths respond to disparate factors, where cell areas are defined using composite reflectivity signatures. Undiluted lifted parcel indices including convective available potential energy (CAPE) and level of neutral buoyancy (LNB) are top predictors of wide cell maximum depth while mid‐tropospheric relative humidity is the top predictor of narrow cell maximum depth. Because narrow cells are more numerous than wide cells, the overall outcome of the full cell population does not strongly correlate with CAPE and LNB conditions. Tracked cells and atmospheric conditions in a simulation with 3‐km grid spacing covering the field campaign produce similar results to those observed. Narrow cells that are relatively deep have a cooler and moister mid‐troposphere with weaker free tropospheric subsidence, while relatively deep wide cells have much warmer and moister lower tropospheric conditions. These atmospheric differences are present 1 hr before cell initiation at both a fixed observing site and variable cell initiation locations. Simulated narrow cell maximum equivalent potential temperature decreases with height at a rate similar to the ambient vertical gradient, causing these cells to fall short of their LNB and supporting the view that entrainment‐driven dilution is a dominant control on their depth.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Leveraging Hamiltonian simulation techniques to compile operations on bosonic devices

Circuit quantum electrodynamics enables the combined use of qubits and oscillator modes. Despite a variety of available gate sets, many hybrid qubit-boson (i.e. qubit-oscillator) operations are realizable only through optimal control theory, which is oftentimes intractable and uninterpretable. We introduce an analytic approach with rigorously proven error bounds for realizing specific classes of operations via two matrix product formulas commonly used in Hamiltonian simulation, the Lie–Trotter–Suzuki and Baker–Campbell–Hausdorff product formulas. We show how this technique can be used to realize a number of operations of interest, including polynomials of annihilation and creation operators, namely (a) p (a † ) q for integer p, q. We show examples of this paradigm including obtaining universal control within a subspace of the entire Fock space of an oscillator, state preparation of a fixed photon number in the cavity, simulation of the Jaynes–Cummings Hamiltonian, and simulation of the Hong-Ou-Mandel effect. This work demonstrates how techniques from Hamiltonian simulation can be applied to better control hybrid qubit-boson devices.

bosonic qubits↗
DOE OSTI2026

Deep-ultraviolet ptychographic pocket-scope (DART): mesoscale lensless molecular imaging with label-free spectroscopic contrast

The mesoscale characterization of biological specimens has traditionally required compromises between resolution, field-of-view, depth-of-field, and molecular specificity, with most approaches relying on external labels. Here we present the Deep-ultrAviolet ptychogRaphic pockeT-scope (DART), a handheld platform that transforms label-free molecular imaging through intrinsic deep-ultraviolet spectroscopic contrast. By leveraging biomolecules’ natural absorption fingerprints and combining them with lensless ptychographic microscopy, DART resolves down to 308-nm linewidths across centimeter-scale areas while maintaining millimeter-scale depth-of-field. The system’s virtual error-bin methodology effectively eliminates artifacts from limited temporal coherence and other optical imperfections, enabling high-fidelity molecular imaging without lenses. Through differential spectroscopic imaging at deep-ultraviolet wavelengths, DART quantitatively maps nucleic acid and protein distributions with femtogram sensitivity, providing an intrinsic basis for explainable virtual staining. We demonstrate DART’s capabilities through imaging of tissue sections, cytopathology specimens, blood cells, and neural populations, revealing detailed molecular contrast without external labels. The combination of high-resolution molecular mapping and broad mesoscale imaging in a portable platform opens new possibilities from rapid clinical diagnostics, tissue analysis, to biological characterization in space exploration.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Data for “Tree root nutrient uptake kinetics vary with nutrient availability, environmental conditions, and root traits: A global analysis”

This data package contains data and code used in the paper “Tree root nutrient uptake kinetics vary with nutrient availability, environmental conditions, and root traits: A global analysis”. The central product is a global dataset of root inorganic nutrient uptake rates and kinetics parameters covering temperate, boreal, and sub/tropical tree species, representing a collection of nutrient uptake data from published studies. This dataset enables tree investigation of root nutrient uptake rates across species, space, and experimental conditions. The data can also be combined with supplementary data on root and soil traits or with external datasets (e.g. R scripts contained within use data from FRED 3.0; (Iversen et al., 2021)). Contained within is the main nutrient data “uptake_data.csv” as well as 4 additional .csv files that link uptake data to supplementary measurements, source references, taxonomic information, and additional nutrient uptake measurements across nutrient gradients, and 1 .csv file that records meta-analysis results for plotting with the R scripts. There are seven R scripts that support data analysis and creation of the figures in the related publication.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

AI‐Accelerated Optimization of Self‐Assembled Organic Mixed Ionic‐Electronic Conductors (OMIEC) (Final Report)

This document describes research activities, products and outcomes of a DOE-funded program to help accelerate development of Organic Mixed Ionic Electronic Conductors (OMIECs) using neutron scattering and high-throughput experimentation. OMIECs are organic materials that conduct both ionic and electronic charge carriers. For these new OMIEC materials, self-assembling ion-conducting block copolymers (BCPs) are used as a structural template for electronic conducting polymers. This forms OMIECs with long-range structural order that can help facilitate long-range electronic transport. The conductive properties of OMIECs are closely associated with their structure, which is affected by solution conditions and polymer macromolecular designs. Thus high-throughput experimentation has been implemented to explore this large design space effectively. The BCP-CP OMIEC systems explored are composed of ion-conducting diblock or triblock copolymers containing polyethylene oxide (PEO), di(ethylene glycol) ethyl ether acrylate (DEGEEA) or poly(ethylene glycol) methyl ether acrylate) (PEGMEA) hydrophilic blocks. These blocks will be coupled with either polypropylene oxide (PPO) or polyheptafluorobutyl acrylate (PHFBA) hydrophobic blocks to drive assembly. The electronic conducting component consists of several different types of conjugated polymers. Small angle scattering of neutrons and X-rays (SANS/SAXS) as well as electrochemical analysis have been coupled with modern algorithms for autonomous research using artificial intelligence (AI).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Petrographic and Advanced Geologic Characterization Report on Lively Grove #1 (API# 1218924947)

Lively Grove #1 (LG1 API number 1218924947) well was drilled to a depth of 5,758 feet, from the Glen Dean Limestone to the top of the Precambrian unit. In total, 49 thin sections were taken from Rotary Sidewall Core (RSWC), and one thin section was taken from Whole Core (2,918 feet, New Albany Shale) from 1,700 to 5,872 feet for this report. This report details specifically thin section point-counting analysis that includes mineralogical and pore space analysis, including grain size analysis annotated thin section photomicrographs, scanning electron microscopy (SEM) with Energy Dispersive x-ray Spectroscopy (EDS), X-ray Diffraction (XRD), statistics of grain size analysis on St. Peter Sandstone thin sections, and Argon-Argon (Ar-Ar) dating on Precambrian samples from LG1. Characterized units include the Salem Limestone, New Albany Shale, Trenton Group, Joachim Dolomite, St. Peter Sandstone, Everton Formation, Eminence Formation, Davis Member, Eau Claire Formation, and Precambrian Basement.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

ARM Radiosondes for SNPP/JPSS Validation Field Campaign Report

This field campaign extension has been a coordinated effort involving the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility, the University of Wisconsin at Madison, and the Joint Polar Satellite System (JPSS) project to validate NOAA Unique Combined Atmospheric Processing System (NUCAPS) temperature and moisture sounding products from the Cross-track Infrared Sounder (CrIS) and the Advanced Technology Microwave Sounder (ATMS) instruments on board the NOAA-20 and NOAA-21 satellite platforms. In this arrangement, funding for radiosondes and balloons was provided by the JPSS project to ARM. These radiosondes were launched coincident with NOAA-20 and NOAA-21 satellite overpasses at the ARM field sites at Eastern North Atlantic (ENA), North Slope Alaska (NSA), and Southern Great Plains (SGP). Combined with other ARM data, an assessment of the radiosonde data quality was performed and post-processing corrections applied. The dedicated radiosondes were integrated into the NOAA Products Validation System (NPROVS+), which collocated the radiosondes with satellite products (NOAA, National Aeronautics and Space Administration [NASA], European Organisation for the Exploitation of Meteorological Satellites [EUMETSAT], Geostationary Operational Environmental Satellite [GOES], Constellation Observing System for Meteorology, Ionosphere, and Climate [COSMIC]) and numerical weather prediction (NWP) forecasts for use in product assessment and algorithm development. This work is a part of the NOAA-20 and NOAA-21 satellite retrieval validation efforts and provides critical accuracy assessments of the temperature and water vapor soundings.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Holography vs. Scale Separation

In this work, we point out a contradiction between holography and scale-separated AdS (i.e. parametrically large mass gap) in string theory, making the standard assumption that the holographic CFT describes the IR degrees of freedom on a brane that decouple from gravity. We show that the CFT can only decouple from gravity if the scalar potential in the dual AdS satisfies a certain criterion. Namely, there must exist a scalar field trajectory that follows the gradient of the scalar potential to the asymptotic region of the scalar field space in which limit $\partial_ϕ\ln(V)\partial_ϕ\ln(Λ_s)\leq2/(d-2)$, where $Λ_s$ is the quantum gravity cut-off. This condition, which generically implies lack of scale-separation, is satisfied in the standard examples of AdS/CFT. However, proposed attempts at achieving scale separation, such as DGKT, employ scalar potentials that violate this condition. We therefore conclude that the CFT duals of DGKT vacua cannot exist in string theory. Barring fine-tuning, our conclusions apply to other Ricci-flat flux compactifications including the KKLT scenario which relies on scale separation to obtain a metastable de Sitter uplift.

FOS: Physical sciences↗
DOE OSTI2025

Radiation Effects on Network on Chips (NoC) Laboratory Directed Research and Development (LDRD) project

This project was motivated by State-of-the-Art (SOTA) technology that incorporates Network on Chips (NOC) for efficient data communication across the various computer kernels. For example, on the AMD Versal Field Programmable Gate Arrays (FPGA), an NoC has been incorporated for fast data communication from the programmable logic and other computer kernels (processing system, adaptable intelligence engines, etc.). The radiation effects on the legacy technology of this FPGA, such as the programmable logic, are well understood, and established methods exist to measure cross-sections when new families/generations are released; however, newly incorporated technologies, such as the NoC, are not fully understood and could introduce new failure points into the mission space.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multi-ignition fire complexes drive extreme fire years and impacts

Climate change is intensifying fire behavior, with the largest and fastest-spreading fires causing the greatest impacts on people and ecosystems. Yet the mechanisms driving variability and trends in large fires remain poorly understood. Using 12-hour satellite-derived fire tracking data from 2012 to 2023, we show that the merging of separate ignitions into multi-ignition complexes is a key process amplifying fire size and destructive potential across temperate and boreal ecoregions. Multi-ignition fires account for 31% of the burned area in California and 59% in the Arctic-boreal domain, spread faster and persist longer than single-ignition fires, and disproportionately contribute to extreme fire years in California, Canada, and Siberia. They also generate stronger atmospheric feedbacks, produce more pyrocumulonimbus events, and strain firefighting capacity by dispersing suppression resources. Recognizing and accounting for fire-merging dynamics are critical for improving wildfire prediction, risk assessment, and management.

Environmental sciences↗
DOE OSTI2026

Velocity Extraction Using Complete Time-Domain Waveform Data and Audio Machine Learning

We developed a new machine learning-based tool for extracting information from interferometry measurements: MIDWAZE (Modular Interferometry Direct Waveform AnalyZEr). This paper showcases MIDWAZE’s ability to extract an object’s velocity information from Photonic Doppler Velocimetry (PDV) data at near-human accuracy with little to no human intervention. MIDWAZE can extract velocities roughly 350 times as fast as a human analyst "rushing" to complete their extractions, with similar extraction accuracy. MIDWAZE’s most outstanding feature is that it operates directly in waveform/temporal space, freeing analysis from certain limitations imposed by traditional spectrogram-based approaches and opening the way to "phase aware" PDV analysis. MIDWAZE also has limited ability to discriminate between different solid objects, which we develop as a first step towards automated discrimination of different kinds of objects such as ejecta clouds.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Scaling kinetic Monte-Carlo simulations of grain growth with combined convolutional and graph neural networks

Graph neural networks (GNN) have emerged as a promising machine learning method for microstructure simulations such as grain growth. However, accurate modeling of realistic grain boundary networks requires large simulation cells, which GNN has difficulty scaling up to. To alleviate the computational costs and memory footprint of GNN, we suggest a hybrid architecture combining a convolutional neural network (CNN) based bijective autoencoder to compress the spatial dimensions, and a GNN that evolves the microstructure in the latent space of reduced spatial sizes. Our results demonstrate that the new design significantly reduces computational costs with using fewer message passing layer (from 12 down to 3) compared with GNN alone. The reduction in computational cost becomes more pronounced as the spatial size increases, indicating strong computational scalability. For the largest mesh evaluated (160 3 ), our method reduces memory usage and runtime in inference by 117× and 115×, respectively, compared with GNN-only baseline. More importantly, it shows higher accuracy and stronger spatiotemporal capability than the GNN-only baseline, especially in long-term testing. Such combination of scalability and accuracy is essential for simulating realistic material microstructures over extended time scales. The improvements can be attributed to the bijective autoencoder’s ability to compress information losslessly from spatial domain into a high dimensional feature space, thereby producing more expressive latent features for the GNN to learn from, while also contributing its own spatiotemporal modeling capability. Training data are generated from stochastic grain growth simulations, providing realistic variability for learning robust microstructure evolution. Comprehensive system validation confirms that the model is accurate, robust, and scalable.

36 MATERIALS SCIENCE↗