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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Atomate2: modular workflows for materials science

High-throughput density functional theory (DFT) calculations have become a vital element of computational materials science, enabling materials screening, property database generation, and training of “universal” machine learning models. While several software frameworks have emerged to support these computational efforts, new developments such as machine learned force fields have increased demands for more flexible and programmable workflow solutions. This manuscript introduces atomate2, a comprehensive evolution of our original atomate framework, designed to address existing limitations in computational materials research infrastructure. Key features include the support for multiple electronic structure packages and interoperability between them, along with generalizable workflows that can be written in an abstract form irrespective of the DFT package or machine learning force field used within them. Our hope is that atomate2's improved usability and extensibility can reduce technical barriers for high-throughput research workflows and facilitate the rapid adoption of emerging methods in computational material science.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Two-dimensional parametric design of short pulse laser driven iron opacity experiments

High intensity short pulse lasers are commonly used to create high temperature and high density plasmas. These plasmas are used to study fundamental properties such as the equation of state and opacity. The targets often use small-diameter, thin buried layers of the materials of interest, surrounded by a tamper of low atomic number material such as plastic. Computational modeling is used to design and interpret experiments with short pulse lasers. Most of the modeling to date has assumed one-dimensional plane-parallel geometry. In this paper, the effects of radial gradients in the irradiation of thin planar targets are studied with one- and two-dimensional radiation/hydrodynamic simulations. It is found that the main effect of radial gradients is the averaging of plasma conditions and x-ray emission over the pattern of irradiation. Additionally, differences between one- and two-dimensional simulations arise because the plasma conditions and x-ray emission are, in general, nonlinear functions of the temperature of the plasma and thereby also nonlinear functions of the irradiation intensity. The differences increase with the ratio of the buried layer radius to the laser spot radius. The root mean square difference in the inferred iron L-shell opacity is less than 30% when the ratio is less than 1.0 and about 70% when the ratio is 1.5.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Probing the axion-electron coupling with NuSTAR observations of galaxies

We search for the existence of ultralight axions coupling to electrons and photons using data from the NuSTAR telescope directed toward the galaxies M82, M87, and M31. We focus on electron bremsstrahlung and Compton scattering for axion production in stars, summing over the stellar populations found in the target galaxies when computing the axion luminosity. We then compute the hard x-ray signal that arises from the conversion of these axions to photons in each galaxy’s magnetic fields, inferred from analog galaxies in cosmological magnetohydrodynamic simulations. Analyzing NuSTAR data toward these galaxies between roughly 20 to 70 keV, we find no evidence for axions and set leading constraints on the combined axion-electron and axion-photon coupling at the level of |𝑔 𝑎⁢𝑒⁢𝑒 ×𝑔 𝑎⁢𝛾⁢𝛾 | ≲ 8.3 ×10 −27 GeV −1 for 𝑚 𝑎 ≲ 10 −10 eV at 95% confidence, with M82 providing the most stringent constraints.

Axion-like particles↗
DOE OSTI2025

Search for axions from magnetic white dwarfs with Chandra x-ray observations

Low-mass axionlike particles could be produced in abundance within the cores of hot, compact magnetic white dwarf (MWD) stars from electron bremsstrahlung and converted to detectable x-rays in the strong magnetic fields surrounding these systems. In this work, we constrain the existence of such axions from two dedicated Chandra x-ray observations of ∼ 40 ks each in the energy range ∼ 1–10 keV toward the MWDs WD 1859 +148 and PG 0945 + 246. We find no evidence for axions, which constrains the axion-electron times axion-photon coupling to |𝑔 𝑎⁢𝛾⁢𝛾 ⁡𝑔 𝑎⁢𝑒⁢𝑒 | ≲ 1.54 ×10 −25 (3.54 × 10 −25 ) GeV −1 for PG 0945 + 246 (WD 1859 +148) at 95% confidence for axion masses 𝑚 𝑎 ≲ 10 −6 eV. Here, we find an excess of low-energy x-rays between 1 and 3 keV for WD 1859 + 148 but determine that the spectral morphology is too soft to arise from axions; instead, the soft x-rays may arise from nonthermal emission in the MWD magnetosphere.

Axions↗
DOE OSTI2024

Resurrecting Hitomi for Decaying Dark Matter and Forecasting Leading Sensitivity for XRISM

The Hitomi x-ray satellite mission carried unique high-resolution spectrometers that were set to revolutionize the search for sterile neutrino dark matter (DM) by looking for narrow x-ray lines arising from DM decays. Unfortunately, the satellite was lost shortly after launch, and to date the only analysis using Hitomi for DM decay used data taken towards the Perseus cluster. Here, in this work we present a significantly more sensitive search from an analysis of archival Hitomi data towards blank sky locations, searching for DM decaying in our own Milky Way. The recently launched XRISM satellite has nearly identical soft-x-ray spectral capabilities to Hitomi; we project the full-mission sensitivity of XRISM for analyses of their future blank-sky data, and we find that XRISM will have the leading sensitivity to decaying DM for masses between roughly 1 to 18 keV, with important implications for sterile neutrino and heavy axionlike particle DM scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Leading Axion-Photon Sensitivity with NuSTAR Observations of M82 and M87

Here, we perform one of the most sensitive searches to date for the existence of ultralight axions using data from the NuSTAR telescope. We search for stellar axion production in the M82 starburst galaxy and the M87 central galaxy of the Virgo cluster and then the subsequent conversion into hard x-rays in the surrounding magnetic fields. We sum over the full stellar populations in these galaxies when computing the axion luminosity, and we account for the conversion of axions to photons by using magnetic field profiles in simulated IllustrisTNG analog galaxies. We show that analyzing NuSTAR data toward these targets between roughly 30 and 70 keV shows no evidence for axions and leads to robust constraints on the axion-photon coupling at the level of |𝑔𝑎⁢𝛾⁢𝛾| ≲ 7.8 × 10 −13 GeV −1 for 𝑚 𝑎 ≲ 10 −10 eV at 95% confidence.

Axions↗
DOE OSTI2026

Axion lines from nuclear de-excitations in galactic stellar populations

We show that mono-energetic axions are produced in abundance through nuclear de-excitations in nearby galaxies such as M87, which is the central galaxy of the Virgo cluster, and the starburst galaxy M82. If the axion couples to both nucleons and photons and is ultralight, then monochromatic hard x-ray signatures are induced by the subsequent axion-to-photon conversion in the magnetic fields permeating these systems. We search for evidence of such signals using NuSTAR data, focusing specifically on the 57 Fe de-excitation line at 14.4 keV, and we catalog other potentially relevant nuclear lines. We find no evidence for axions from M87 or M82 and set stringent constraints on the combined axion-nucleon and axion-photon coupling at the level of |𝑔 𝑎⁢𝑛⁢𝑛 × 𝑔 𝑎⁢𝛾⁢𝛾 | ≲ 1.1 × 10 −22 GeV −1 in the limit 𝑚 𝑎 ≲ 10 −10 eV at 95% confidence.

Ning, Orion [University of California, Berkeley, C↗
DOE OSTI2025

A Roadmap for the Future of Systems Biology in Cancer Research

Cancer systems biology seeks to understand how cancer arises as a system of interconnected molecules, cells, and tissues, with the goal of understanding, predicting, and controlling the disease. In the last decade, the field has rapidly grown as advances in experimental, computational, and analytic technologies have improved our ability to capture and recapitulate the complexities of cancer at multiple scales. However, the field’s promise to understand how specific molecular changes give rise to altered cancer outcomes remains incompletely fulfilled. Fortunately, an opportunity exists to accelerate progress by better coordinating modeling and data-gathering efforts across the cancer systems biology community. This will create the foundation for building accurate, multiscale cancer models that can better predict and identify improved therapeutic interventions. Here, in this study, we outline some of the current challenges in cancer systems biology research, how they can be addressed, and actions that the community can take to accelerate progress in the field.

Modeling & Simulation↗
DOE OSTI2021

Recurrent Activity from Active Asteroid (248370) 2005 QN 173 : A Main-belt Comet

We present archival observations of main-belt asteroid (248370) 2005 QN 173 (also designated 433P) that demonstrate this recently discovered active asteroid (a body with a dynamically asteroidal orbit displaying a tail or coma) has had at least one additional apparition of activity near perihelion during a prior orbit. We discovered evidence of this second activity epoch in an image captured 2016 July 22 with the DECam on the 4 m Blanco telescope at the Cerro Tololo Inter-American Observatory in Chile. As of this writing, (248370) 2005 QN 173 is just the eighth active asteroid demonstrated to undergo recurrent activity near perihelion. Our analyses demonstrate (248370) 2005 QN 173 is likely a member of the active asteroid subset known as main-belt comets, a group of objects that orbit in the main asteroid belt that exhibit activity that is specifically driven by sublimation. We implement an activity detection technique, wedge photometry, that has the potential to detect tails in images of solar system objects and quantify their agreement with computed antisolar and antimotion vectors normally associated with observed tail directions. We present a catalog and an image gallery of archival observations. The object will soon become unobservable as it passes behind the Sun as seen from Earth, and when it again becomes visible (late 2022) it will be farther than 3 au from the Sun. Our findings suggest (248370) 2005 QN 173 is most active interior to 2.7 au (0.3 au from perihelion), so we encourage the community to observe and study this special object before 2021 December.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Enabling Early Transient Discovery in LSST via Difference Imaging with DECam

We present SLIDE, a pipeline that enables transient discovery in data from the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST), using archival images from the Dark Energy Camera as templates for difference imaging. We apply this pipeline to the recently released Data Preview 1 (DP1; the first public release of Rubin commissioning data) and search for transients in the resulting difference images. The image subtraction, photometry extraction, and transient detection are all performed on the Rubin Science Platform. We demonstrate that SLIDE effectively extracts clean photometry by circumventing poor or missing LSST templates. We identified 29 previously unreported transients, 12 of which would not have been detected based on the DP1 DiaObject catalog. SLIDE will be especially useful for transient analysis in the early years of LSST, when template coverage will be largely incomplete or when templates may be contaminated by transients present at the time of acquisition. We present multiband light curves for a sample of known transients, along with new transient candidates identified through our search. Finally, we discuss the prospects of applying this pipeline during the main LSST survey. Our pipeline is broadly applicable and will support studies of all transients with slowly evolving phases.

Dong, Yize 一泽董 [Harvard-Smithsonian Center for Ast↗
DOE OSTI2025

Axion lines from nuclear de-excitations in galactic stellar populations

We show that mono-energetic axions are produced in abundance through nuclear de-excitations in nearby galaxies such as M87, which is the central galaxy of the Virgo cluster, and the starburst galaxy M82. If the axion couples to both nucleons and photons and is ultralight, then monochromatic hard X-ray signatures are induced by the subsequent axion-to-photon conversion in the magnetic fields permeating these systems. We search for evidence of such signals using NuSTAR data, focusing specifically on the $^{57}$Fe de-excitation line at 14.4 keV, and we catalog other potentially relevant nuclear lines. We find no evidence for axions from M87 or M82 and set leading constraints on the combined axion-nucleon and axion-photon coupling at the level of $|g_{ann} \times g_{aγγ}| \lesssim 1.1 \times 10^{-22}$ GeV$^{-1}$ in the limit $m_a \lesssim 10^{-10}$ eV, at 95% confidence.

Astrophysics of Galaxies (astro-ph.GA)↗
DOE OSTI2025

Cosmological Neutron Stars Produce Diffuse Axion X-Ray Signatures

Axion-like particles can be abundantly produced through scattering processes in the cores of neutron stars (NSs). If they are ultralight ($m_a \lesssim 10^{-4}$ eV), then they can efficiently convert to detectable photons in the external NS magnetospheres, and if they are heavy ($m_a \gtrsim 1$ eV), then they can decay into photons before reaching Earth. In this work, we search for the resulting X-ray signatures from both of these channels summing over the $\textit{cosmological}$ NS population. We compare the predicted axion-induced X-ray signal to the cosmic X-ray background today as measured by a number of instruments such as NuSTAR, HEAO, Swift, and INTEGRAL. We model the axion-induced signal using NS cooling simulations and magnetic field evolution models. We find no evidence for axions and derive strong constraints for both ultralight and heavy axion scenarios, covering new parameter space for the axion-photon and axion-nucleon couplings. Our results rule out the axion-explanation of the Magnificent Seven X-ray excess from nearby isolated NSs.

Cosmology and Nongalactic Astrophysics (astro-ph.C↗
DOE OSTI2025

PSTN-019: The LSST Science Pipelines Software: Optical Survey Pipeline Reduction and Analysis Environment

The NSF-DOE Vera C. Rubin Observatory is executing the Legacy Survey of Space and Time (LSST) as its prime mission, producing a series of data releases over the ten-year survey. The LSST Science Pipelines Software will be used to create these data releases and to perform the nightly prompt processing and alert production. This paper provides an overview of the LSST Science Pipelines Software, describing the components and their integration into pipelines that generate science-ready data products.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Large scale multi-node simulations of $\mathbb{Z}_2$ gauge theory quantum circuits using Google Cloud Platform

Simulating quantum field theories on a quantum computer is one of the most exciting fundamental physics applications of quantum information science. Dynamical time evolution of quantum fields is a challenge that is beyond the capabilities of classical computing, but it can teach us important lessons about the fundamental fabric of space and time. Whether we may answer scientific questions of interest using near-term quantum computing hardware is an open question that requires a detailed simulation study of quantum noise. Here we present a large scale simulation study powered by a multi-node implementation of qsim using the Google Cloud Platform. We additionally employ newly-developed GPU capabilities in qsim and show how Tensor Processing Units -- Application-specific Integrated Circuits (ASICs) specialized for Machine Learning -- may be used to dramatically speed up the simulation of large quantum circuits. We demonstrate the use of high performance cloud computing for simulating $\mathbb{Z}_2$ quantum field theories on system sizes up to 36 qubits. We find this lattice size is not able to simulate our problem and observable combination with sufficient accuracy, implying more challenging observables of interest for this theory are likely beyond the reach of classical computation using exact circuit simulation.

Gustafson, Erik↗
DOE OSTI2021

Simulations of Quantum Circuits with Approximate Noise using qsim and Cirq

We introduce multinode quantum trajectory simulations with qsim, an open source high performance simulator of quantum circuits. qsim can be used as a backend of Cirq, a Python software library for writing quantum circuits. We present a novel delayed inner product algorithm for quantum trajectories which can result in an order of magnitude speedup for low noise simulation. We also provide tools to use this framework in Google Cloud Platform, with high performance virtual machines in a single mode or multinode setting. Multinode configurations are well suited to simulate noisy quantum circuits with quantum trajectories. Finally, we introduce an approximate noise model for Google's experimental quantum computing platform and compare the results of noisy simulations with experiments for several quantum algorithms on Google's Quantum Computing Service.

Isakov, Sergei V.↗
DOE OSTI2022

System and method for making fuels

Embodiments of a system and method are disclosed for obtaining high-energy fuels. In some embodiments, the system and method produces one or more fused cyclic compounds that can include one or more bridging points. The fused cyclic compounds are suitable for use as a high-energy fuels, and may be derived from biomass.

Sutton, Andrew D.↗