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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 OSTI2023

The plasma–sheath transition and Bohm criterion in a high recycling divertor

The high recycling regime of a divertor is characterized by high plasma particle fluxes and low temperature at the target, where a strong hydrogen recirculation loop exists. Atomic processes in the high recycling regime, such as ion–neutral friction and radiation, can affect the plasma momentum and energy transport in the sheath transition region. Here, in this work, the plasma–sheath transition near a high recycling wall is investigated. The Bohm speed, which constraints the ion exit flow speed, is evaluated from a transport model that accounts for the effect of the anisotropic transport and atomic collisions in the transition layer. A first principles kinetic code vector particle-in-cell with the atomic collision package is used to investigate a 1D self-consistent slab plasma with a high recycling boundary for the tungsten and carbon divertors. The results demonstrate the accuracy of the Bohm speed model in predicting the ion exit flow speed in the transition region, as well as the reduction of the Bohm speed due to the ion–neutral friction. The effect of different wall materials, tungsten, and carbon, on the Bohm speed and near-wall plasma profile is shown.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

A Flexible Operation of Distributed Generation in Distribution Networks With Dynamic Boundaries

Distributed generators performing black start to form isolated microgrids offer a flexible and resilient solution to service restoration in distribution systems. Employing the dynamic microgrid concept, distributed generators can form isolated microgrids by changing their physical boundaries through smart switches and conventional circuit breakers. However, the flexibility of distributed generators has not been thoroughly investigated and utilised in existing works. To address this issue, this letter presents a new model to the reconfiguration formulation in active distribution networks considering different operation modes of distributed generators. Compared with the existing models, this study provides a new formulation supporting different DGs' operation modes and fully making use of their flexibility. Illustrative results on IEEE 34-test systems verify the effectiveness of the proposed model.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Weldability of irradiated Stainless Steel 304 materials harvested from the National Research Universal (NRU) reactor

In this work, the weldability of the neutron-irradiated Stainless Steel 304 (SS 304) materials containing estimated helium levels of 12 to 44 appm has been studied through a Collaborative Research and Development Agreement between the Canadian Nuclear Laboratories and Oak Ridge National Laboratory. The work utilizes a SS 304 component harvested from the National Research Universal reactor. Laser beam welding was used to explore suitable welding conditions and associated parameters, to determine helium concentration limits for successful welding of irradiated stainless-steels. The experimental results show that maximum fusion zone void sizes, fusion zone void quantity and total heat affected zone helium-induced crack length generally increased with increasing He levels and effective weld heat input. A proper combination of welding parameters with low effective heat input, such as, laser power, weld travel speed and wire feed speed, were shown to improve the welding quality, and potentially reduce the length and probability of the formation of grain boundary helium-induced cracking and voids of irradiated SS 304 even with He concentrations as high as about 44 appm.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Spin-related phenomena in spin 3/2 charge carrier holes systems

Charge carrier holes provide a remarkable system for spintronics and quantum information technology. In this review paper, I discuss spin-related phenomena in three-dimensional and low-dimensional hole systems. Special attention is paid to the mutual transformation of heavy and light holes at the boundary of quantum wells and wires that governs values of parameters defining hole spectra in quantum wells, wires and dots, such as effective masses, g-factors and Rashba and Dresselhaus spin–orbit constants. Recently, topological phenomena in condensed matter systems, such as emergence of Majorana zero modes and non-Abelian phases in the fractional quantum Hall effect, sparked considerable interest of researchers. Charge carrier holes turn out to be a remarkable setting for possible observation of these phenomena and advancing topological quantum computing. I discuss the spectra and wavefunctions of two-dimensional holes in magnetic field. While there is a semiclassical range of parameters when heavy and light holes can be described by equidistant Landau levels, ground-level holes and holes in a few low-lying excited states behave as species completely different from electrons. Especially interesting are crossings in hole spectra in magnetic field. Hole–hole interactions can substantially differ from electron–electron interactions. Apart from the difference in exchange splitting, this shows in possible emergence of even denominator fractional quantum Hall state in the ground hole level in magnetic field. I also briefly discuss spintronic phenomena, such as mutual transformation of angular momentum (spin) of holes and electric current, as well as spin-related interference effects in hole transport. Recent developments in a system of Ge hole quantum dots offer new perspectives for hole-based systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Spatially Varying Costs of GHG Abatement with Alternative Cellulosic Feedstocks for Sustainable Aviation Fuels

Cellulosic biomass-based sustainable aviation fuels (SAFs) can be produced from various feedstocks. The breakeven price and carbon intensity of these feedstock-to-SAF pathways are likely to differ across feedstocks and across spatial locations due to differences in feedstock attributes, productivity, opportunity costs of land for feedstock production, soil carbon effects, and feedstock composition. We integrate feedstock to fuel supply chain economics and life-cycle carbon accounting using the same system boundary to quantify and compare the spatially varying greenhouse gas (GHG) intensities and costs of GHG abatement with SAFs derived from four feedstocks (switchgrass, miscanthus, energy sorghum, and corn stover) at 4 km resolution across the U.S. rainfed region. We show that the optimal feedstock for each location differs depending on whether the incentive is to lower breakeven price, carbon intensity, or cost of carbon abatement with biomass or to have high biomass production per unit land. The cost of abating GHG emissions with SAF ranges from $\$181$ Mg –1 CO 2 e to more than $\$444$ Mg –1 CO 2 e and is lowest with miscanthus in the Midwest, switchgrass in the south, and energy sorghum in a relatively small region in the Great Plains. While corn stover-based SAF has the lowest breakeven price per gallon, it has the highest cost of abatement due to its relatively high GHG intensity. Furthermore, our findings imply that different types of policies, such as volumetric targets, tax credits, and low carbon fuel standards, will differ in the mix of feedstocks they incentivize and locations where they are produced in the U.S. rainfed region.

09 BIOMASS FUELS↗
DOE OSTI2026

Atomistic Mechanisms of Stress-Dependent Molten Salt Corrosion in NiCr Alloys

Ni-based structural alloys in molten salt environments often experience simultaneous mechanical loading and corrosive attack, yet the mechanisms governing stress-corrosion interactions remain unclear. Prior studies largely emphasize tensile stress, while the role of compressive stress has received limited attention. Here, reactive molecular dynamics simulations are used to investigate the coupled effects of applied strain and corrosion in Ni 0.75 Cr 0.25 exposed to molten FLiNaK at 800 °C. A Σ5(210) grain boundary model is subjected to tensile (+4%) to compressive (−4%) uniaxial strains, and corrosion behavior is evaluated through fluorine adsorption, charge redistribution, and grain boundary evolution. Tensile strain accelerates intergranular corrosion susceptibility by reducing local atomic packing through elastic dilation and increasing excess free volume at the grain boundary, which enhances atomic mobility and salt infiltration. In contrast, compressive strain can suppress corrosion by promoting the formation of a ridge-like surface layer along the grain boundary, limiting salt access to the underlying alloy. These results provide atomistic insight into how stress states influence grain boundary corrosion in molten salts.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Autonomous Nanoparticle Synthesis Guided by In Situ Multiscale Structural Characterization

Autonomous synthesis platforms promise rapid exploration of vast parameter spaces; yet, integrating in situ structural characterization in closed-loop synthesis optimization remains challenging. We demonstrate a realization of such a closed-loop platform coupled with a droplet-flow microreactor, in situ X-ray scattering methods (SAXS/WAXS), and Gaussian process optimization to synthesize citrate-reduced Au nanoparticles with targeted characteristics. The system efficiently explored ∼19,000 synthesis recipes through 365 experiments, achieving precise control over size (4–60 nm) and polydispersity (σ < 0.11) across large citrate/gold ratios, exceeding traditional synthesis boundaries (1–10). Beyond confirming classical Turkevich–Frens trends, partial-dependence analysis revealed strong nonlinear coupling among precursor, citrate, and pH effects. Combining quantitative SAXS/WAXS analysis with electron microscopy characterization, we uncovered that crystallite size (d c ) and particle size (d) follow d c = 0.18d + β, where synthesis chemistry controls the intercept β while maintaining a universal slope. This parallel-band structure enables independent tuning of crystallite domain size at fixed particle diameter through a combination of chloride, gold precursor, citrate, and pH contributions (cross-validated Spearman ρ = 0.7 ± 0.1). High-resolution electron microscopy shows multiple lattice-fringe orientations within single particles, directly confirming polycrystalline domains and the ability to tune d c at the fixed d. The platform’s validation includes indistinguishable static versus flowing measurements, stable droplet transport at 100 °C, and <5% run-to-run variation, establishing a robust framework for mapping and controlling multiscale nanoparticle structure across expansive chemical spaces. In conclusion, the developed closed-loop platform can be applied to a borad range of nanosyntheis processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Multiscale, mechanistic modeling of cesium transport in silicon carbide for TRISO fuel performance prediction

Understanding cesium (Cs) transport in TRistructural ISOtropic (TRISO) particle fuel is crucial for predicting fission product release in high-temperature reactors. However, current challenges include significant scatter in diffusivity data and unexplained temperature-dependent diffusion regimes in the silicon carbide layer. This study addresses these challenges by developing a multiscale, mechanistic Cs transport model integrating atomistic simulations and phase field modeling. Our model quantifies temperature and grain size effects on Cs diffusivity, attributing experimentally observed regimes to a transition from bulk-dominated diffusivity at high temperatures to grain boundary-dominated diffusivity at lower temperatures. The model, validated against diffusion measurements and advanced gas reactor (AGR)-1 and AGR-2 post-irradiation fission product release data, enhances the predictive capability of the BISON fuel performance code. This study advances our understanding of Cs release from TRISO particles and its dependence on temperature and silicon carbide grain size, with implications for the safety and efficiency of high-temperature nuclear reactors.

BISON↗
DOE OSTI2025

A framework to evaluate machine learning crystal stability predictions

The rapid adoption of machine learning in various scientific domains calls for the development of best practices and community agreed-upon benchmarking tasks and metrics. We present Matbench Discovery as an example evaluation framework for machine learning energy models, here applied as pre-filters to first-principles computed data in a high-throughput search for stable inorganic crystals. We address the disconnect between (1) thermodynamic stability and formation energy and (2) retrospective and prospective benchmarking for materials discovery. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with adaptive user-defined weighting of various performance metrics allowing researchers to prioritize the metrics they value most. To answer the question of which machine learning methodology performs best at materials discovery, our initial release includes random forests, graph neural networks, one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials. We highlight a misalignment between commonly used regression metrics and more task-relevant classification metrics for materials discovery. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV per atom above the convex hull. The benchmark results demonstrate that universal interatomic potentials have advanced sufficiently to effectively and cheaply pre-screen thermodynamic stable hypothetical materials in future expansions of high-throughput materials databases.

Riebesell, Janosh↗
DOE OSTI2020

Plasma flux expansion control on the DIII-D tokamak

A new controller has been developed with help of the flexible divertor poloidal-field coil set of the DIII-D tokamak, to aid in the precise control of the flux expansion in the scrape-off layer (SOL). Here, the single-input multiple-output (SIMO) architecture ensures flexibility through a complementary set of orthogonal actuator direction to guarantee minimum effect on existing controlled variables, e.g. radial and vertical position control of the X-point. A non-linear free-boundary simulation code (GSevolve) is used for simulating the closed-loop response and for verifying the implementation of the control algorithm on the DIII-D plasma control system (PCS). First results of the experimental commissioning of the new controller during 2020 DIII-D campaign are also presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Hundreds of weak lensing shear-selected clusters from the Hyper Suprime-Cam Subaru Strategic Program S19A data

Abstract We use the Hyper Suprime-Cam Subaru Strategic Program S19A shape catalog to construct weak lensing shear-selected cluster samples. From aperture mass maps covering ∼510 deg2 created using a truncated Gaussian filter, we construct a catalog of 187 shear-selected clusters that correspond to mass map peaks with signal-to-noise ratio larger than 4.7. Most of the shear-selected clusters have counterparts in optically selected clusters, from which we estimate the purity of the catalog to be higher than 95%. The sample can be expanded to 418 shear-selected clusters with the same signal-to-noise ratio cut by optimizing the shape of the filter function and by combining weak lensing mass maps created with several different background galaxy selections. We argue that dilution and obscuration effects of cluster member galaxies can be mitigated by using background source galaxy samples and adopting a filter function with its inner boundary larger than about 2′. The large samples of shear-selected clusters that are selected without relying on any baryonic tracer are useful for detailed studies of cluster astrophysics and cosmology.

Oguri, Masamune↗
DOE OSTI2022

Structural Amorphization-Induced Topological Order

Electronic properties of crystals are inherently pertained to crystalline symmetry, so that amorphization that lowers and breaks symmetry is detrimental. One important crystalline property is electron band topology which is known to be weakened and destroyed by structural disorder. Here, we report a counterintuitive theoretical discovery that atomic structural disorder by amorphization can in fact induce electronic order of topology in an otherwise topologically trivial crystal. The resulting nontrivial topology is characterized by a nonzero spin Bott index, associated with robust topological edge states and quantized conductance. Further, the underlying topological phase transition (TPT) from a trivial crystal to a topological amorphous is analyzed by mapping out a phase diagram in the degree of structural disorder using an effective medium theory. The atomic disorder is revealed to induce topological order by renormalizing the spectral gap toward nontriviality near the phase boundary. As a concrete example, we further show such TPT in amorphous stanane by first-principles calculations. Our findings point to possible observation of an electronic ordering transition accompanied by a structural disorder transition.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Robustness of helical edge states under edge reconstruction

Abstract The helical edge states of time-reversal invariant two-dimensional topological insulators are protected against backscattering in idealized models. In more realistic scenarios with a shallow confining potential at the sample boundary, additional strongly interacting edge states may arise, that could interfere with the topological protection of edge conduction. We find that interaction effects within the reconstructed edges are well described by the Luttinger liquid model. While interactions between this Luttinger liquid and the helical edge states can in principle give rise to dynamical spin polarization and the breaking of time-reversal symmetry, we demonstrate that random spin-orbit coupling strongly suppresses such dynamical spin polarization, resulting in the persistence of near quantized edge conduction.

John, Niels↗
DOE OSTI2024

Data for Spatially Varying Costs of GHG Abatement with Alternative Cellulosic Feedstocks for Sustainable Aviation Fuels

Cellulosic biomass-based sustainable aviation fuels (SAFs) can be produced from various feedstocks. The breakeven price and carbon intensity of these feedstock-to-SAF pathways are likely to differ across feedstocks and across spatial locations due to differences in feedstock attributes, productivity, opportunity costs of land for feedstock production, soil carbon effects, and feedstock composition. We integrate feedstock to fuel supply chain economics and life-cycle carbon accounting using the same system boundary to quantify and compare the spatially varying greenhouse gas (GHG) intensities and costs of GHG abatement with SAFs derived from four feedstocks (switchgrass, miscanthus, energy sorghum, and corn stover) at 4 km resolution across the U.S. rainfed region. We show that the optimal feedstock for each location differs depending on whether the incentive is to lower breakeven price, carbon intensity, or cost of carbon abatement with biomass or to have high biomass production per unit land. The cost of abating GHG emissions with SAF ranges from $181 Mg−1 CO2e to more than $444 Mg−1 CO2e and is lowest with miscanthus in the Midwest, switchgrass in the south, and energy sorghum in a relatively small region in the Great Plains. While corn stover-based SAF has the lowest breakeven price per gallon, it has the highest cost of abatement due to its relatively high GHG intensity. Our findings imply that different types of policies, such as volumetric targets, tax credits, and low carbon fuel standards, will differ in the mix of feedstocks they incentivize and locations where they are produced in the U.S. rainfed region. Note: Column V in TableS7_DayCentSimulatedYield.csv should be labelled Corn Stover CoSo-NT-50% Max.

Geospatial↗
DOE OSTI2023

Oddities in Lightning Measurements from Space Reveal Extreme Flashes and Thunderstorms [Slides]

Space-based sensors are well-suited for detecting intracloud (IC) and Cloud to Ground (CG) lightning over large swaths of the Earth. Current sensors also measure the signals generated by lightning that contain information about the physical discharge process and the radiative transfer effects they experience on their path to orbit. Long records of orbital lightning data reveal rare and exceptional lightning signals push the boundaries of what the sensors are designed to measure and our understanding of what lightning and thunderstorms are capable of. Space-based sensors have revealed long-horizontal “megaflashes,” highly radiant “superbolts,” extremely high flash rate thunderstorms, and more.

58 GEOSCIENCES↗
DOE OSTI2023

The Influence of Carbon Fiber Composite Specimen Design Parameters on Artificial Lightning Strike Current Dissipation and Material Thermal Damage

Previous artificial lightning strike direct effect research has examined a broad range of specimen design parameters. No works have studied how such specimen design parameters and electrical boundary conditions impact the dissipation of electric current flow through individual plies. This article assesses the influence of carbon fiber composite specimen design parameters (design parameters = specimen size, shape, and stacking sequence) and electrical boundary conditions on the dissipation of current and the spread of damage resulting from Joule heating. Thermal-electric finite element (FE) modelling is used and laboratory scale (<1 m long) and aircraft scale (>1 m long) models are generated in which laminated ply current dissipation is predicted, considering a fixed artificial lightning current waveform. The simulation results establish a positive correlation between the current exiting the specimen from a given ply and the amount of thermal damage in that ply. The results also establish that the distance to ground, from the strike location to the zero potential boundary conditions (ground), is the controlling factor which dictates the electric current dissipation in each ply. Significantly, this distance to ground is dependent on each of the specimen shape, dimensions, stacking sequence, and location of ground boundary conditions. Therefore, it is not possible to decouple current dissipation and damage from specimen design and boundary condition setup. However, it is possible to define a specimen size for a given specimen shape, stacking sequence, and waveform which limit the influence of specimen dimensions on the resulting current distribution and damage. For a rectangular specimen design which appears in literature multiple times, as 100 × 150 mm and with a stacking sequence of [45/0/-45/90] 4s , a specimen design of greater than 300 × 200 mm is required to limit the influence of specimen dimensions on current distribution and damage.

36 MATERIALS SCIENCE↗
DOE OSTI2023

RanchES Data & R code

Securing food production while safeguarding ecosystem stability and resilience remains a grand challenge in the Anthropocene. Sustainable agricultural intensification holds promise in achieving ecosystem service multifunctionality beyond food production, yet empirical evidence remains tenuous, especially regarding consequences for the metaecosystems (i.e., spatially coupled ecosystems connected by flows across ecosystem boundaries). Here we synthesized long-term datasets encompassing 53 physical, chemical, and biological indicators, comprising >11,000 field measurements, to understand effects of land-use intensification on multiple ecosystem services of spatially connected grasslands and wetlands. The management practices applied to grasslands were not directly imposed on wetlands, except for grazing intensity. Our results revealed that intensification promoted high-quality forage and livestock production in both grasslands and wetlands, but at the expense of water quality regulation, methane mitigation, non-native species invasion resistance, and biodiversity, and further weakened relationships among ecosystem services. Such intensification effects on grasslands cascaded to alter multifunctionality of embedded natural wetlands within the metaecosystems to a similar extent. Our results highlight the need to integrate holistic and systematic perspectives into land-use intensification strategies to achieve multifunctional agricultural landscapes.

Agricultural land management↗