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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Calibration and characterization of the line-VISAR diagnostic at the HED-HIBEF instrument at the European XFEL

In dynamic-compression experiments, the line-imaging Velocity Interferometer System for Any Reflector (VISAR) is a well-established diagnostic used to probe the velocity history, including wave profiles derived from dynamically compressed interfaces and wavefronts, depending on material optical properties. Knowledge of the velocity history allows for the determination of the pressure achieved during compression. Such a VISAR analysis is often based on Fourier transform techniques and assumes that the recorded interferograms are free from image distortions. In this paper, we describe the VISAR diagnostic installed at the HED-HIBEF instrument located at the European XFEL along with its calibration and characterization. It comprises a two-color (532, 1064 nm), three-arm (with three velocity sensitivities) line imaging system. We provide a procedure to correct VISAR images for geometric distortions and evaluate the performance of the system using Fourier analysis. We finally discuss the spatial and temporal calibrations of the diagnostic. As an example, we compare the pressure extracted from the VISAR analysis of shock-compressed polyimide and silicon.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer

Fixed-node diffusion quantum Monte Carlo (FN-DMC) is a widely trusted many-body method for solving the Schrödinger equation, known for its reliable predictions of material and molecular properties. Furthermore, its excellent scalability with system complexity and near-perfect utilization of computational power make FN-DMC ideally positioned to leverage new advances in computing to address increasingly complex scientific problems. Even though the method is widely used as a computational gold standard, reproducibility across the numerous FN-DMC code implementations has yet to be demonstrated. This difficulty stems from the diverse array of DMC algorithms and trial wave functions, compounded by the method’s inherent stochastic nature. Here, this study represents a community-wide effort to assess the reproducibility of the method, affirming that yes, FN-DMC is reproducible (when handled with care). Using the water–methane dimer as the canonical test case, we compare results from eleven different FN-DMC codes and show that the approximations to treat the non-locality of pseudopotentials are the primary source of the discrepancies between them. In particular, we demonstrate that, for the same choice of determinantal component in the trial wave function, reliable and reproducible predictions can be achieved by employing the T-move, the determinant locality approximation, or the determinant T-move schemes, while the older locality approximation leads to considerable variability in results. These findings demonstrate that, with appropriate choices of algorithmic details, fixed-node DMC is reproducible across diverse community codes—highlighting the maturity and robustness of the method as a tool for open and reliable computational science.

Della Pia, Flaviano [Univ. of Cambridge (United Ki↗
DOE OSTI2025

X-ray thermal diffuse scattering as a texture-robust temperature diagnostic for dynamically compressed solids

We present a model of x-ray thermal diffuse scattering (TDS) from a cubic polycrystal with an arbitrary crystallographic texture, based on the classic approach of Warren [B. E. Warren, Acta Crystallogr. 6, 803 (1953)]. We compare the predictions of our model with femtosecond x-ray diffraction patterns gathered from ambient and dynamically compressed rolled copper foils obtained at the High Energy Density instrument of the European X-Ray Free-Electron Laser facility and find that the texture-aware TDS model yields more accurate results than does the conventional powder model owed to Warren. Nevertheless, we further show: with sufficient angular detector coverage, the TDS signal is largely unchanged by sample orientation and in all cases strongly resembles the signal from a perfectly random powder; shot-to-shot fluctuations in the TDS signal resulting from grain-sampling statistics are at the percent level, in stark contrast to the fluctuations in the Bragg-peak intensities (which are over an order of magnitude greater); and TDS is largely unchanged even following texture evolution caused by compression-induced plastic deformation. We conclude that TDS is robust against texture variation, making it a flexible temperature diagnostic applicable just as well to off-the-shelf commercial foils as to ideal powders.

Crystal lattices↗
DOE OSTI2021

Persistent polyamorphism in the chiton tooth: From a new biomineral to inks for additive manufacturing

Engineering structures that bridge between elements with disparate mechanical properties are a significant challenge. Organisms reap synergy by creating complex shapes that are intricately graded. For instance, the wear-resistant cusp of the chiton radula tooth works in concert with progressively softer microarchitectural units as the mollusk grazes on and erodes rock. Herein, we focus on the stylus that connects the ultrahard and stiff tooth head to the flexible radula membrane. Using techniques that are especially suited to probe the rich chemistry of iron at high spatial resolution, in particular synchrotron Mössbauer and X-ray absorption spectroscopy, we find that the upper stylus of Cryptochiton stelleri is in fact a mineralized tissue. Remarkably, the inorganic phase is nano disperse santabarbaraite, an amorphous ferric hydroxyphosphate that has not been observed as a biomineral. The presence of two persistent polyamorphic phases, amorphous ferric phosphate and santabarbaraite, in close proximity, is a unique aspect that demonstrates the level of control over phase transformations in C. stelleri dentition. The stylus is a highly graded material in that its mineral content and mechanical properties vary by a factor of 3 to 8 over distances of a few hundred micrometers, seamlessly bridging between the soft radula and the hard tooth head. Furthermore, the use of amorphous phases that are low in iron and high in water content may be key to increasing the specific strength of the stylus. Finally, we show that we can distill these insights into design criteria for inks for additive manufacturing of highly tunable chitosan-based composites.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Strong enhancement of magnetic ordering temperature and structural/valence transitions in EuPd 3 S 4 under high pressure

We present a comprehensive study of the inhomogeneous mixed-valence compound, EuPd 3 S 4 , by electrical transport, X-ray diffraction, time-domain 151 Eu synchrotron Mössbauer spectroscopy, and X-ray absorption spectroscopy measurements under high pressure. Electrical transport measurements show that the antiferromagnetic ordering temperature, T N , increases rapidly from 2.8 K at ambient pressure to 23.5 K at ~19 GPa and plateaus between ~19 and ~29 GPa after which no anomaly associated with T N is detected. A pressure-induced first-order structural transition from cubic to tetragonal is observed, with a rather broad coexistence region (~20 GPa to ~30 GPa) that corresponds to the T N plateau. Mössbauer spectroscopy measurements show a clear valence transition from approximately 50:50 Eu 2+ :Eu 3+ to fully Eu 3+ at ~28 GPa, consistent with the vanishing of the magnetic order at the same pressure. X-ray absorption data show a transition to a fully trivalent state at a similar pressure. Our results show that pressure first greatly enhances T N , most likely via enhanced hybridization between the Eu 4 f states and the conduction band, and then, second, causes a structural phase transition that coincides with the conversion of the europium to a fully trivalent state.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Giant quantum oscillations in thermal transport in low-density metals via electron absorption of phonons

Oscillations of conductance observed in strong magnetic fields are a striking manifestation of the quantum dynamics of charge carriers in solids. The large charge carrier density in typical metals sets the scale of oscillations in both electrical and thermal conductivity, which characterize the Fermi surface. In semimetals, thermal transport at low-charge carrier density is expected to be phonon dominated, yet several experiments observe giant quantum oscillations in thermal transport. This raises the question of whether there is an overarching mechanism leading to sizable oscillations that survives in phonon-dominated semimetals. In this work, we show that such a mechanism exists. It relies on the peculiar phase-space allowed for phonon scattering by electrons when only a few Landau levels are filled. Our measurements on the Dirac semimetal ZrTe 5 support this counterintuitive mechanism through observation of pronounced thermal quantum oscillations, since they occur in similar magnitude and phase in directions parallel and transverse to the magnetic field. Our phase-space argument applies to all low-density semimetals, topological or not, including graphene and bismuth. Our work illustrates that phonon absorption can be leveraged to reveal degrees of freedom through their imprint on longitudinal thermal transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Recent advancements in atomic many-body methods for high-precision studies of isotope shifts

The development of atomic many-body methods, capable of incorporating electron correlation effects accurately, is required for isotope shift (IS) studies. In combination with precise measurements, such calculations help to extract nuclear charge radii differences, and to probe for signatures of physics beyond the Standard Model of particle physics. Here, we review here a few recently-developed methods in the relativistic many-body perturbation theory (RMBPT) and relativistic coupled-cluster (RCC) theory frameworks for calculations of IS factors in the highly charged ions (HCIs), and neutral or singly-charged ions, respectively. The results are presented for a wide range of atomic systems in order to demonstrate the interplay between quantum electrodynamics (QED) and electron correlation effects. In view of this, we start our discussions with the RMBPT calculations for a few HCIs by rigorously treating QED effects; then we outline methods to calculate IS factors in the one-valence atomic systems using two formulations of the RCC approach. Then we present calculations for two valence atomic systems, by employing the Fock-space RCC methods. For completeness, we briefly discuss theoretical input required for the upcoming experiments, their possibilities to probe nuclear properties and implications to fundamental physics studies.

QED effects↗
DOE OSTI2022

Pressure effect on magnetism and valence in ferromagnetic superconductor Eu(Fe 0.75 Ru 0.25 ) 2 As 2

Eu(Fe 0.75 Ru 0.25 ) 2 As 2 is an intriguing system with unusual coexistence of superconductivity and ferromagnetism, providing a unique platform to study the nature of such coexistence. To establish a magnetic phase diagram, time-domain synchrotron Mössbauer experiments in 151 Eu have been performed on a single crystalline Eu(Fe 0.75 Ru 0.25 ) 2 As 2 sample under hydrostatic pressures and at low temperatures. Upon compression the magnetic ordering temperature increases sharply from 20 K at ambient pressure, reaching ~49 K at 10.1GPa. With further compression, the magnetic order is suppressed and eventually collapses. Isomer shift values from Mössbauer measurements and x-ray absorption spectroscopy data at Eu L 3 edge show that pressure drives Eu ions to a homogeneous intermediate valence state with mean valence of ~2.4 at 27.4 GPa, possibly responsible for the suppression of magnetism. Synchrotron powder x-ray diffraction experiment reveals a tetragonal to collapsed-tetragonal structural transition around 5 GPa, a lower transition pressure than in the parent compound. Furthermore, these results provide guidance to further work investigating the interplay of superconductivity and magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Robust magnetism and crystal structure in Dirac semimetal EuMnBi 2 under high pressure

Dirac materials offer exciting opportunities to explore low-energy carrier dynamics and novel physical phenomena, especially their interaction with magnetism. In this context, this work focuses on studies of pressure control on the magnetic state of EuMnBi 2 , a representative magnetic Dirac semimetal, through time-domain synchrotron Mössbauer spectroscopy in 151 Eu. Contrary to the previous report that the antiferromagnetic order is suppressed by pressure above 4 GPa, we have observed robust magnetic order up to 33.1 GPa. Synchrotron-based x-ray diffraction experiment on a pure EuMnBi 2 sample shows that the tetragonal crystal lattice remains stable up to at least 31.7 GPa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Lattice dynamics of 119 Sn impurity in a bcc-Cr crystal

The chromium crystal doped with 119 Sn isotope was studied using the nuclear resonance inelastic x-ray scattering and first principles calculations. The Sn partial phonon density of states (PDOS) was obtained for three temperatures that correspond to different magnetic states of Cr. At all temperatures, the energy spectrum consists of a broad band around 18 meV and a narrow peak at 43 meV. The additional peak around 39 meV is observed only in the magnetically ordered phases, indicating the influence of magnetic order in chromium on lattice dynamics. The partial PDOS calculated with the antiferromagnetic order on Cr atoms show a very good agreement with the experimental data. It is revealed that the high-energy peak is lying above the phonon spectra of the pure bcc-Cr crystal. These are the local modes with the increased energies due to a strongly reduced distance between Sn and the nearest-neighbor Cr atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

An in-situ conductometric apparatus for physicochemical characterization of solutions and in-line monitoring of separation processes at elevated temperatures and pressures

Specific conductance and frequency-dependent resistance (impedance) data are widely utilized for understanding the physicochemical characteristics of aqueous and non-aqueous fluids and for evaluating the performance of chemical processes. However, the implementation of such an in-situ probe in high-temperature and high-pressure environments is not trivial. This work provides a description of both the hardware and software associated with implementing a parallel-type in-situ electrochemical sensor. The sensor can be used for in-line monitoring of thermal desalination processes and for impedance measurements in fluids at high temperature and pressure. Further, a comparison between the experimental measurements on the specific conductance in aqueous sodium chloride solutions and the conductance model demonstrate that the methodology yields reasonable agreement with both the model and literature data. A combination of hardware components, a software-based correction for experimental artifacts, and computational fluid dynamics (CFD) calculations used in this work provide a sound basis for implementing such in-situ electrochemical sensors to measure frequency-dependent resistance spectra.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

The role of local shipping emissions in aerosol-cloud interactions in the central Arctic

Arctic shipping is projected to increase as sea ice retreats, yet the impact of modern low-sulfur ship emissions on Arctic clouds and radiation remain poorly constrained. We use year-long in situ observations from the MOSAiC expedition to characterize ship-aerosol-cloud interactions for an icebreaker burning ultra-low sulfur fuel (0.1% mass per mass). Exhaust plumes were found to be strongly enriched in Aitken-mode particles, organic aerosol, and black carbon, but showed no detectable enhancement in particulate sulfate. Despite reduced hygroscopicity relative to ambient aerosols, ship emissions substantially increased local cloud condensation nuclei concentrations. A droplet activation parameterization was applied to quantify responses in cloud droplet number concentration ( N d ) to ship-induced perturbations in low-level Arctic clouds. In winter, abundant background accumulation-mode particles from Arctic haze supplied nearly all cloud droplets, while additional particles from ship emissions had little impact on N d . In contrast, during summer months, when unperturbed background aerosol concentrations are low, ship emissions nearly doubled N d compared to average background conditions and increased N d by a factor of five compared to very clean background conditions (25th percentile of background aerosol number concentrations). Longwave radiative transfer simulations for typical conditions of summer Arctic low-level clouds/fog suggest that these ship-induced increases in N d locally (i.e. <100 km downwind) lead to enhanced net surface longwave fluxes and consequent warming, primarily for optically thin clouds (liquid water path (LWP) ⩽ 30 g·m −2 ). For LWP = 10 g · m −2 , ship emissions lead to an increase of 1 W · m −2 in cloud longwave forcing at the surface compared to average unperturbed conditions (+7% relative increase), and up to 4 W · m −2 when compared to very clean background conditions (+22% relative increase). Even ultra-low sulfur fuel emissions can therefore locally and episodically modify Arctic cloud microphysics and radiative properties, especially during summer, implying that future increases in Arctic shipping could have non-negligible regional climate impacts.

Arctic↗
DOE OSTI2024

Midgap state requirements for optically active quantum defects

Abstract Optically active quantum defects play an important role in quantum sensing, computing and communication. The electronic structure and the single-particle energy levels of these quantum defects in the semiconducting host have been used to understand their optoelectronic properties. Optical excitations that are central for their initialization and readout are linked to transitions between occupied and unoccupied single-particle states. It is commonly assumed that only quantum defects introducing levels well within the band gap and far from the band edges are of interest for quantum technologies as they mimic an isolated atom embedded in the host. In this perspective, we contradict this common assumption and show that optically active defects with energy levels close to the band edges can display similar properties. We highlight quantum defects that are excited through transitions to or from a band-like level (bound exciton) such as the T center and Se S i + in silicon. We also present how defects such as the silicon split-vacancy in diamond can involve transitions between localized levels that are above the conduction band or below the valence band. Loosening the commonly assumed requirement on the electronic structure of quantum defects offers opportunities in quantum defects design and discovery especially in smaller band gap hosts such as silicon. We discuss the challenges in terms of operating temperature for photoluminescence or radiative lifetime in this regime. We also highlight how these alternative type of defects bring their own needs in terms of theoretical developments and fundamental understanding. This perspective clarifies the electronic structure requirement for quantum defects and will facilitate the identification and design of new color centers for quantum applications especially driven by first principles computations.

Xiong, Yihuang (ORCID:0000000178096047)↗
DOE OSTI2025

Sharp detection of low-dimensional structure in probability measures via dimensional logarithmic Sobolev inequalities

Identifying low-dimensional structure in high-dimensional probability measures is an essential pre-processing step for efficient sampling. To identify this structure, we approximate the target measure as a perturbation of an arbitrary reference measure along a few directions in $\mathbb{R}^{d}$. These directions are determined by minimizing an upper bound on the Kullback–Leibler (KL) divergence between the target and its approximation. Our contribution improves upon previous works by leveraging dimensional logarithmic Sobolev inequalities to refine the bound on the KL divergence. These inequalities lead to a uniformly tighter bound on the KL divergence, thereby enhancing the identification of the most significant perturbation directions. In particular, when the target and reference are both Gaussian, minimizing the resulting bound is equivalent to minimizing the KL divergence. We further demonstrate the applicability of this analysis to the squared Hellinger distance, where analogous reasoning shows that the dimensional Poincaré inequality offers improved bounds.

Bayesian inference↗
DOE OSTI2025

The Dark Energy Survey Supernova Program: an updated measurement of the Hubble constant using the inverse distance ladder

We measure the current expansion rate of the Universe, Hubble’s constant $H_0$, by calibrating the absolute magnitudes of supernovae to distances measured by baryon acoustic oscillations (BAO). This ‘inverse distance ladder’ technique provides an alternative to calibrating supernovae using nearby absolute distance measurements, replacing the calibration with a high-redshift anchor. We use the recent release of 1829 supernovae from the Dark Energy Survey spanning $0.01\lt z\lt 1.13$ anchored to the recent baryon acoustic oscillation measurements from Dark Energy Spectroscopic Instrument (DESI) spanning $0.30 \lt z_{\mathrm{eff}}\lt 2.33$. To trace cosmology to $z=0$, we use the third-, fourth-, and fifth-order cosmographic models, which, by design, are agnostic about the energy content and expansion history of the universe. With the inclusion of the higher redshift DESI-BAO data, the third-order model is a poor fit to both data sets, with the fourth-order model being preferred by the Akaike Information Criterion. Using the fourth-order cosmographic model, we find $H_0=67.19^{+0.66}_{-0.64}\mathrm{~km} \mathrm{~s}^{-1} \mathrm{~Mpc}^{-1}$, in agreement with the value found by Planck without the need to assume Flat-$\Lambda$CDM. However, the best-fitting expansion history differs from that of Planck, providing continued motivation to investigate these tensions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Dark Energy Survey Year 6 results: cell-based coadds and METADETECTION weak lensing shape catalogue

We present the metadetection weak lensing galaxy shape catalogue from the 6-yr Dark Energy Survey (DES Y6) imaging data. This data set is the final release from DES, spanning 4422 deg 2 of the southern sky. We describe how the catalogue was constructed, including the two new major processing steps, cell-based image coaddition, and shear measurements with metadetection. The DES Y6 M etadetection weak lensing shape catalogue consists of 151 922 791 galaxies detected over riz bands, with an effective number density of n eff = 8.22 galaxies per arcmin 2 and shape noise of σ e = 0.29. We carry out a suite of validation tests on the catalogue, including testing for point spread function (PSF) leakage, testing for the impact of PSF modelling errors, and testing the correlation of the shear measurements with galaxy, PSF, and survey properties. In addition to demonstrating that our catalogue is robust for weak lensing science, we use the DES Y6 image simulation suite to estimate the overall multiplicative shear bias of our shear measurement pipeline. We find no detectable multiplicative bias at the roughly half-per cent level, with m = (3.4 ± 6.1) x 10 –3 , at 3σ uncertainty. This is the first time both cell-based coaddition and Metadetection algorithms are applied to observational data, paving the way to the Stage-IV weak lensing surveys.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Reduction of the type Ia supernova host galaxy step in the outer regions of galaxies

Using 1533 type Ia supernovae (SNe Ia) from the 5-yr sample of the Dark Energy Survey (DES), we investigate the relationship between the projected galactocentric separation of the SNe and their host galaxies and their light curves and standardization. We show, for the first time, that the difference in SN Ia post-standardization brightnesses between high- and low-mass hosts reduces from $0.078\pm 0.011$ mag in the full sample to $0.036 \pm 0.018$ mag for SNe Ia located in the outer regions of their host galaxies, while increasing to $0.100 \pm 0.014$ mag for SNe in the inner regions. The difference in the size of the mass step between inner and outer regions is $0.064\pm 0.023$ mag. In these inner regions, the step can be reduced (but not removed) using a model where the $R_V$ of dust along the line of sight to the SN changes as a function of galaxy properties. We investigate the remaining difference using the distributions of the SN Ia stretch parameter to test the inferred age of SN progenitors. Comparing red (older) environments only, outer regions have a higher proportion of high-stretch SNe and a more homogeneous stretch distribution. However, this effect cannot explain the reduction in significance of any Hubble residual step in outer regions. We conclude that the standardized distances of SNe Ia located in the outer regions of galaxies are less affected by their global host galaxy properties than those in the inner regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Search for electroweak-scale dijet resonances using trigger-level analysis with the ATLAS detector in 132 fb −1 of 𝑝⁢𝑝 collisions at $\sqrt{𝑠}$ = 13 TeV

This article reports on a search for dijet resonances using 132 fb −1 of 𝑝⁢𝑝 collision data recorded at $\sqrt{𝑠}$ = 13 TeV by the ATLAS detector at the Large Hadron Collider. The search is performed solely on jets reconstructed within the ATLAS trigger to overcome bandwidth limitations imposed on conventional single-jet triggers, which would otherwise reject data from decays of sub-TeV dijet resonances. Collision events with two jets satisfying transverse momentum thresholds of 𝑝 T ≥ 85 GeV and jet rapidity separation of |𝑦*| <0.6 are analysed for dijet resonances with invariant masses from 375 to 1800 GeV. A data-driven background estimate is used to model the dijet mass distribution from multijet processes. No significant excess above the expected background is observed. Upper limits are set at 95% confidence level on coupling values for a benchmark leptophobic axial-vector 𝑍′ model and on the production cross section for a new resonance contributing a Gaussian-distributed line-shape to the dijet mass distribution.

hadron colliders↗