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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Combination and summary of ATLAS dark matter searches interpreted in a 2HDM with a pseudo-scalar mediator using 139 fb -1 of $\sqrt{s} =$ 13 TeV $pp$ collision data

Results from a wide range of searches targeting different experimental signatures with and without missing transverse momentum ($E^{miss}_T$) ) are used to constrain a Two-Higgs-Doublet Model (2HDM) with an additional pseudo-scalar mediating the interaction between ordinary and dark matter (2HDM+a). The analyses use up to 139 fb -1 of proton–proton collision data at a centre-of-mass energy $\sqrt{s} =$ 13 TeV recorded with the ATLAS detector at the Large Hadron Collider during 2015–2018. The results from three of the most sensitive searches are combined statistically. These searches target signatures with large $E^{miss}_T$ and a leptonically decaying Z boson; large $E^{miss}_T$ and a Higgs boson decaying to bottom quarks; and production of charged Higgs bosons in final states with top and bottom quarks, respectively. Constraints are derived for several common and new benchmark scenarios in the 2HDM+a.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Toward a Machine Learning Approach to Interpreting X-ray Spectra of Trace Impurities by Converting XANES to EXAFS

The fact that the photoabsorption spectrum of a material contains information about the atomic structure, commonly understood in terms of multiple scattering theory, is the basis of the popular extended X-ray absorption spectroscopy (EXAFS) technique. How much of the same structural information is present in other complementary spectroscopic signals is not obvious. Here we use a machine learning approach to demonstrate that within theoretical models that accurately predict the EXAFS signal, the extended near-edge region does indeed contain the EXAFS-accessible structural information. We do this by exhibiting deep operator neural networks (DeepONets) that have learned the relationship between the extended and near edge portions of the X-ray absorption spectrum to predict the former from the latter. We find that we can accurately predict the EXAFS spectrum between 6 and 14 Å –1 from the first 6 Å –1 (≈100 eV) of the absorption spectrum of Cu 2 + substitutional defects in the Fe 3+ mineral hematite (α-Fe 2 O 3 ). This surprising finding implies that theoretical analyses of X-ray absorption spectra could be implemented that extract the same conclusions as high-quality EXAFS studies from spectra collected over a much smaller range of photon energies. This relaxes a host of experimental limitations related to the X-ray source and measurement sample, including collection time, minimum dopant concentration, source brilliance, and energy range. We describe the theoretical data sets and DeepONet construction and show that the resulting DeepONets produce EXAFS that recovers linear combination fits to experimental data with accuracy approaching the original ab initio calculations. We discuss the implications of our findings for minor constituent characterization and for understanding the information content of spectroscopic data more broadly, including how this approach might be applied to measured experimental spectra. In conclusion, to encourage similar efforts, the simulated X-ray spectra, machine learning, and fitting code are publicly available.

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

Model‐Based Interpretation of Solute Exports and Carbon Partitioning During Shale Weathering in a Mountainous Hillslope

The weathering of sedimentary rocks in high-elevation catchments influences freshwater quality and the global carbon cycle. While individual biogeochemical mechanisms involved in this process are relatively well understood, quantifying their contributions to solute export and carbon fluxes under natural, transient conditions remains challenging. Here, we implement a numerical multidimensional and multiphase model to simulate coupled hydrological and biogeochemical processes in a shale-underlain, snow-dominated hillslope in the Rocky Mountains, Colorado. The model captures the dynamic interplay between soil respiration, mineral weathering, and climate-driven hydrological forcing, reproducing observed soil CO 2 dynamics, groundwater chemistry, and subsurface flow. Our results reveal that seasonal snowmelt enhances carbonate weathering by promoting the infiltration of CO 2 -rich water to depth, while pyrite oxidation is primarily sensitive to low water saturation that facilitates O 2 diffusion through the regolith. Topography modulates the spatial distribution of shale weathering, as steeper slopes enhance lateral drainage, favoring the delivery of reactants to greater depths. While shale weathering at our site acts as a transient carbon sink, with silicates and carbonates buffering acidity and promoting atmospheric CO 2 consumption (1% of soil-derived CO 2 ), the exported dissolved inorganic carbon is predominantly geogenic (∼73%). Consequently, when accounting for long-term marine carbonate precipitation. The current weathering regime represents a net source of carbon to the atmosphere. The oxidation of pyrite and petrogenic organic carbon together release approximately 0.9 mol·m −2 ·yr −1 of CO 2 . Our findings highlight the role of topography, hydroclimate, and the coupling between acid-base reactions in shaping the carbon balance and the solute exports in mountainous critical zones.

carbon cycling↗
DOE OSTI2025

A call for caution in the biological interpretation of viral auxiliary metabolic genes

Virus-encoded auxiliary metabolic genes (AMGs) are non-essential genes that increase viral fitness by maintaining or manipulating host metabolism during infection. AMGs are intriguing from an evolutionary perspective, as most viral genomes are highly compact and have limited coding capacity for accessory genes. Advances in viral (meta)genomics have expanded the detection of putative AMGs from viruses in diverse environments. However, this has also led to many instances of misannotation due to the limitations of annotation tools, resulting in misinterpretations about the roles of some viral genes. Here, we highlight studies that support claims about AMGs with more than just function predictions for guidance on best practices. We then propose the adoption of an expanded, inclusive view of all genes auxiliary to core viral functions with the term ‘auxiliary viral genes’ (AVGs), alongside an associated eco-evolutionary framework for considering the types of analyses that can better support claims made about AVGs.

Environmental microbiology↗
DOE OSTI2026

A physically interpretable precursor framework for sub-seasonal prediction of Northern Hemisphere flash flourishing

Flash flourishing describes rapid vegetation increases that can quickly reshape land–atmosphere exchanges and impacts on ecosystem, yet its large-scale precursors, circulation context, and sub-seasonal predictability remain poorly understood. Here, we identified onset-stage circulation regimes across northern extratropical latitudes (NEL; >30°N) using 200 and 1000 hPa geopotential height, and examined their regional expressions over eastern Asia, western North America, and Europe. Flash flourishing onset in East Asian was associated with a baroclinic circulation regime and was preceded by a North Atlantic sea surface temperature (SST) precursor at a four-pentad lead. In contrast, onset in western North American and European preferentially occurred under barotropic regimes, preconditioned by Great Plains soil moisture at three-pentad lead and North Atlantic SST at a four-pentad lead, respectively. Ridge regression forecasts revealed regime-dependent sub-seasonal predictability, with mean out-of-sample R 2 exceeding 0.3 up to lead times of two pentads in East Asia, three pentads in western North America, and four pentads in Europe. Together, these findings established a mechanistic and regionally specific framework for anticipating rapid vegetation greening at sub-seasonal timescales.

Kong, Xiangxu [Nanjing Univ. of Information Scienc↗
DOE OSTI2026

Revisiting the Anisotropic Complex Refractive Indices of Sodium Nitrate for Interpretation of the Reflectance Spectrum of Pressed Pellets

Reflectance spectroscopy is notoriously confounding in that the measured spectral response is highly dependent upon the morphology of the sample. Fortunately, all such perturbations are neatly encoded by the complex refractive index of the sample. Herein, we seek to quantitatively model the measured infrared reflectance spectrum of a specularly flat pressed pellet sample of the birefringent compound, sodium nitrate. Single crystals of sodium nitrate were synthesized via a slow evaporation process and spectroscopically analyzed using polarization-dependent infrared single-angle reflectance spectroscopy. The anisotropic complex refractive index was measured from 7500 to 300 cm-1 (1.33 to 33.33 µm). The deduced anisotropic optical constants were found to be consistent with those previously reported. Once measured and validated, the optical constants were applied to model the pressed pellet reflectance spectrum. It was evident that an average of the anisotropic refractive indices was insufficient to account for the measured pellet reflectance. In order to account for contributions of all possible microcrystalline orientations within the pellet, the Python package PYELLI was used to calculate a basis set of orientation-dependent reflection spectra spanning the distinct ? and ? Euler rotations of the uniaxial crystal. When the population of orientations was allowed to vary freely in a spectral fit analysis, the fit-deduced orientations were tightly clustered along f = 45º, hinting at residual anisotropy in the pressed pellet sample. Conversely, an equally valid spectral fit (with marginally worse fit metric) was obtained when the population was constrained to an isotropic distribution of orientations. Subsequent non-zero cross-polarization reflectance measurements likewise suggested anisotropy in the pellet. However, both grazing incidence wide-angle x-ray scattering and scanning electron microscopy measurements revealed that the microcrystal orientations at the surface of the pressed pellet sample were isotropically distributed (and that the average crystallite size was larger than ?/10). Application of the measured complex refractive indices for modeling the reflectance spectrum of the pressed pellet, and rectification of these seemingly contradictory observations will be discussed.

Wilhelm, Michael J.↗
DOE OSTI2025

Interpreting dynamic-compression experiments to uncover the time dependence of freezing: Application to gallium

Using pulsed-power magnetic field sources to compress gallium to gigapascal pressures on nanosecond timescales, we report here experiments on shockless dynamic compression of a liquid metal. Time-resolved velocimetry data reveal signatures of rapid freezing from a metastable liquid state, and we demonstrate that the kinetics of this nonequilibrium solidification can be accurately simulated with a computational modeling framework we have developed in previous studies, where classical nucleation theory is coupled with hydrodynamics. Notably, velocity traces in some of our experiments show evidence of a phase transition, while others do not, even though other types of evidence suggest that solidification may be occurring in all of them. We explain how predictions made by our models regarding the presence or absence of these phase-transition signatures motivated additional experiments that later confirmed the theoretical predictions. Our analysis shows that due to the rapid, quasi-isentropic nature of the loading path, our experiments were able to compress liquid gallium to metastable states that are undercooled below the equilibrium melt temperature by more than 300 K and exhibit pressures that approach five times the equilibrium melt pressure. The understanding gained in this study should form the basis for future dynamic-compression experiments aimed at interrogating melt curves at high pressures.

gallium↗
DOE OSTI2024

Aging heat treatment design for Haynes 282 made by wire-feed additive manufacturing using high-throughput experiments and interpretable machine learning

Wire-feed additive manufacturing (WFAM) produces superalloys with complex thermal cycles and unique microstructures, often requiring optimized heat treatments. To address this challenge, we present a hybrid approach that combines high-throughput experiments, precipitation simulation, and machine learning to design effective aging conditions for the WFAM Haynes 282 superalloy. Our results demonstrate that the γ’ radius is the critical microstructural feature for strengthening Haynes 282 during post-heat treatment compared with the matrix composition and γ’ volume fraction. New aging conditions at 770°C for 50 hours and 730°C for 200 hours were discovered based on the machine learning model and were applied to enhance yield strength, bringing it on par with the wrought counterpart. This approach has significant implications for future AM alloy production, enabling more efficient and effective heat treatment design to achieve desired properties.

CALPHAD↗
DOE OSTI2025

Physical interpretation of large Lorentz violation via Weyl semimetals

The physical intepretation of effective field theories of fundamental interactions incorporating large Lorentz violation is a long-standing challenge, known as the concordance problem. In condensed-matter physics, certain Weyl semimetals with emergent Lorentz invariance exhibit large Lorentz violation, thereby offering prospective laboratory analogues for exploration of this issue. We take advantage of the mathematical equivalence between the descriptions of large Lorentz violation in fundamental and condensed-matter physics to investigate the primary aspects of the concordance problem, which arise when the coefficients for Lorentz violation are large or the observer frame is highly boosted. Using thermodynamic arguments, we present a physical solution to the concordance problem and explore some implications.

Lorentz violation↗
DOE OSTI2024

Impact of the magnetic horizon on the interpretation of the Pierre Auger Observatory spectrum and composition data

The flux of ultra-high energy cosmic rays reaching Earth above the ankle energy (5 EeV) can be described as a mixture of nuclei injected by extragalactic sources with very hard spectra and a low rigidity cutoff.Extragalactic magnetic fields existing between the Earth and the closest sources can affect the observed CR spectrum by reducing the flux of low-rigidity particles reaching Earth. We perform a combined fit of the spectrum and distributions of depth of shower maximum measured with the Pierre Auger Observatory including the effect of this magnetic horizon in the propagation of UHECRs in the intergalactic space.We find that, within a specific range of the various experimental and phenomenological systematics, the magnetic horizon effect can be relevant for turbulent magnetic field strengths in the local neighbourhood in which the closest sources lieof order B$_{rms}$ ≃ (50–100) nG (20 Mpc/d$_{s}$)( 100 kpc/L$_{coh}$)$^{1/2}$, with d$_{s}$ the typical intersource separation and L$_{coh}$ the magnetic field coherence length. When this is the case,the inferred slope of the source spectrum becomes softer and can be closer to the expectations of diffusive shock acceleration, i.e., ∝ E$^{-2}$.An additional cosmic-ray population with higher source density and softer spectra, presumably also extragalactic and dominating the cosmic-ray flux at EeV energies, is also required to reproduce the overall spectrum and composition results for all energies down to 0.6 EeV.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Reconstruction and interpretation of ionization asymmetry in magnetic confinement via synthetic diagnostics

Abstract Strong poloidal refueling asymmetry in the DIII-D tokamak is inferred from line radiation measurements. Synthetic diagnostics in neutral transport modeling coupled to gyrokinetic simulations illuminate implications for the plasma flow profile in the scrape-off layer of single-null beam-driven discharges. Recycling occurs primarily either on the inner or outer divertor legs, depending on the toroidal magnetic field direction. By reversing the toroidal magnetic field, the observed line radiation asymmetry is nearly eliminated or reversed. It is determined that, while relatively simple physics can describe the observed ionization asymmetry, predicting the overall brightness of the hydrogenic Lyman- α signal requires detailed simulation of the plasma and resulting turbulence. To this end, kinetic plasma simulations fully coupled to comprehensive neutral transport calculations—a novel capability—provide first-principles reproduction of Lyman- α observations on DIII-D.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Challenges and approaches to interpretive modeling of boundary plasma and neutral transport in a closed, pumped divertor

An experimental discharge from the DIII-D tokamak is modeled using the SOLPS-ITER code suite and compared against measurements in the pumped and relatively closed upper divertor. Uncertainties of boundary plasma simulations are identified by attempting to match code inputs to experimental conditions, including iteratively solving transport coefficients to match upstream experimental profiles using varying quantities of core particle flux, different pumping models, and various assumptions of ion thermal transport. Simulated boundary conditions for particle injection at the core interface are shown to be relevant to the plasma solution at the divertor targets, even if upstream transport is modified so that plasma profiles are comparatively similar, although seperatrix density is not held constant. When upstream plasma profiles are matched to experimental measurements by varying diffusive transport coefficients, using either poloidally symmetric or ballooning structure, the model finds a majority of injected energy being transported radially off the computational domain, in conflict with experimental radiated power measurements and heat flux measurements at the divertor target. Imposing a maximum thermal diffusivity or radially shifting the experimental separatrix location of the fitted profiles to increase power conducted to the targets by increasing the upstream electron temperature does not significantly modify this result. Including a thermalizing plenum volume in the simulation domain is shown to maintain the experimental volumetric pumping rate without knowing the neutral energy distribution incident on the pump duct a priori. By modifying transport parameters to match different assumptions for ion temperature, downstream neutral pressure changes by more than a factor of two, suggesting that attention to ion thermal transport may be a critical parameter for simulations to accurately resolve recycling and neutral transport, particularly in a closed divertor geometry. In addition to quantifying various modeling uncertainties, this work motivates both further experimental study and modeling improvements to improve predictive capabilities.

divertor↗
DOE OSTI2025

Lifetime measurements in 102 Mo interpreted in the interacting boson model and the X(5) symmetry

Lifetimes of low-lying excited states in 102 Mo populated in the two-neutron transfer reaction 100 Mo ⁢( 18 O, 16 O)⁢ 102 Mo were measured using the recoil distance Doppler shift method at the IFIN-HH Tandem accelerator. Lifetimes of the $2^+_1$, $0^+_2$, $4^+_1$, $2^+_2$, $2^+_3$, $3^+_1$, $6^+_1$, ($0^+_3$), $4^+_2$, ($3^−_1$), and ($5^−_1$) states were obtained. The deduced electromagnetic transition strengths have been compared to calculations performed in the interacting boson model framework including models representing the U(5) and X(5) symmetries. It is found that 102 Mo lies between the U(5) limit and the X(5) critical point symmetry.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗