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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Energy-efficient scientific computing using chemical reservoirs

The rapid growth of computing demands driven by scientific computing, data analytics, and artificial intelligence (AI) advancements has exposed the limitations of traditional digital processing systems. These systems are nearing physical energy barriers, making significant gains in energy efficiency increasingly unattainable. As we advance toward post-exascale computing, disruptive approaches are critical to overcoming these limitations. Among emerging analog solutions, biochemical computing offers a transformative path for achieving orders-of-magnitude improvements in energy efficiency. By leveraging the natural optimization capabilities of chemical reaction networks (CRNs), biochemical systems have the potential to meet high-performance computing needs through natural scalability. However, numerous challenges remain, including theoretical limitations in mapping computational problems to CRNs and practical barriers in implementing biochemical computing devices. In this paper, we present a framework for chemical computation using biochemical systems and introduce key components of our approach for energy-efficient scientific computing. We showcase the feasibility of this framework by solving a system of ordinary differential equations by emulating a chemical reservoir device, demonstrating its potential for addressing modern computing challenges. This work lays a foundational step toward harnessing the computational power of chemistry to design energy-efficient, scalable, high-performance next-generation computing systems.

Johnson, Connah G. M. [Pacific Northwest National ↗
DOE OSTI2026

Accurate energies for ππ* excited states via exchange scaling: the XS-CASSCF method

The state-averaged complete-active space self-consistent field method (SA-CASSCF) is a widely employed electronic structure method used for studying photochemistry and dynamics owing to its ability to provide a reliable description even of complicated cases while still retaining computational efficiency. However, SA-CASSCF suffers from one Achilles heel, related to the description of ionic ππ* excited states, whose energy is often overestimated by 1–2 eV. In light of this challenge, we present the XS-CASSCF method, a new approach based on the idea of exchange scaling (XS) that screens the involved energy terms to improve the excitation energies of singlet ionic ππ* states. First, we illustrate the power of the XS-CASSCF method using hexatriene and para-quinodimethane as examples, showing that it corrects the targeted ionic states while leaving the other states largely unaffected, giving root-mean-square errors (RMSE) below 0.2 eV for the four lowest states in both cases. Subsequently, XS-CASSCF vertical excitation energies are tested against theoretical best estimates for a set of 11 molecules and 56 excited states. XS-CASSCF performs exceptionally well for the ππ* states of hydrocarbons, reducing the RMSE over 21 excitation energies from 0.96 to 0.27 eV. In the challenging subset of molecules with heteroatoms and a larger number of ππ* and nπ* states, we find that improvements can also be obtained, albeit not as pronounced. We conclude with an outlook into more realistic molecular materials focusing on their singlet–triplet (S 1 /T 1 ) gaps, finding that significant improvements can be obtained along the whole range of S 1 /T 1 gaps studied, going from 0.1 eV to more than 1.5 eV. Owing to notable improvements across significant classes of molecules combined with its conceptual simplicity, we believe that XS-CASSCF is a promising addition to the electronic structure toolbox, serving both as a standalone electronic structure method and as a starting point for further correlated treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Energy, greenhouse gas, and water life cycle analysis of synthetic graphite anode production in the United States

This study presents a comprehensive life cycle analysis of potential synthetic graphite battery anode material (BAM) production in the U.S. based on industrial-scale data. The analysis focuses on three impacts: greenhouse gas (GHG) emissions, total energy use, and water consumption. We also conducted sensitivity analyses to evaluate the effect of variation in process parameters and energy sources used for synthetic graphite BAM production on its life cycle GHG emissions. A detailed supply chain analysis of graphite BAM in the U.S. was also undertaken, along with a study of its associated GHG emissions. The results show GHG emissions of 29.7 kg CO 2 -eq. per kg BAM, total energy use of 580 MJ kg −1 BAM, and water consumption of 121 L kg −1 BAM for the baseline condition. The graphitization step is a major process hotspot, contributing to over 74% of all impacts. This is attributed to the energy and material input requirements for this step, particularly through the use of crucibles. Across the entire synthetic graphite production process, electricity is the primary contributor, followed by crucibles used in graphite block production, and then calcined petroleum coke. Sensitivity analyses indicate that improvement in micronization yield, reuse of crucibles, and use of low-carbon nuclear energy can significantly reduce GHG emissions of potential domestic graphite production (by ∼70%). Supply chain analysis identified major graphite BAM sources in the U.S. and showed that the U.S. has a competitive advantage in domestic production of synthetic graphite BAM in terms of reduced life cycle GHG emissions compared to present-day imported sources (by ∼20%).

Battery anode↗
DOE OSTI2024

Energy amplification in plasma crystals due to multiple torsions

Interacting torsions are examined within a two-dimensional monolayer crystal suspended in an argon complex plasma for 1–10 W discharge powers and pressures of 135–155 mTorr. Two torsions embedded in a lattice are shown to amplify the kinetic energy and range of motion of particles located between the torsions to nearly three times that observed in single torsion systems. It is also shown that multiple torsions can interact via amplified particle energy when separated by up to 14 interparticle distances (Δ). The torsion separation distance also showed a positive linear trend with power and a slightly positive correlation with the pressure. This amplification of energy is possible due to the fact that multiple torsions in a lattice increase the interparticle distance of the lattice by 16% more than single torsion systems, leading to additional freedom of motion in the lattice plane. These combined findings show that multiple torsions heat the lattice differently depending on their separation from the other torsion. The midpoint particles between torsions absorb the majority of energy from the two torsions, and energy addition at the midpoint is nonlinear. The addition of more torsions to the lattice may lead to melting of the plasma crystal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Low-energy electron driven reactions in 2-bromo-5-nitrothiazole

Thiazole derivatives are biologically relevant molecules, used also in pharmaceutical applications. Herein, we report results for electron attachment to 2-bromo-5-nitrothiazole (BNT) in the gas phase. Employing two crossed electron–molecule beam experiments, we determined the efficiency curves of various fragment anions as a function of the initial electron energy between about 0 and 10 eV as well as the emission angle and kinetic energy distributions of Br− and NO2− ions formed from a resonance near 4 eV. The experiments were supported by quantum chemical calculations, exploring possible dissociation pathways along with their reaction energies. We also compared the electron attachment characteristics of BNT with those of the native thiazole molecule by performing electron attachment experiments and calculations for this molecule as well. Compared to thiazole, which is primarily degraded only by electrons with kinetic energies between about 5 and 10 eV, BNT is susceptible to low-energy electrons near 0 eV with enhanced cross section for (dissociative) electron attachment. However, although BNT offers two localization sites with high electron affinity (Br and NO2 moieties), we do not find the corresponding anions as the dominant negatively charged species formed upon electron attachment. Instead, the reaction channels with an abstraction of Br and NO2 as neutral radicals prevail, accompanied by the opening of the thiazole ring due to the relatively weak C–S bond.

Chen, Jiakuan (ORCID:0009000729608641)↗
DOE OSTI2025

A building performance-based approach to determining energy resilience for grocery stores in the event of a power outage

Evaluating progress toward a built environment that is best equipped to serve communities during a regional power outage will require metrics that capture the energy resilience of the unique buildings and businesses most crucial to the well-being of those nearby. We focused on grocery stores as key buildings for which access, and thus energy resilience, is critical during a disaster when power is unavailable. We evaluated the energy resilience of these buildings by offering and testing building-scale metrics that assess business continuity potential during a power outage. Metrics proposed in this study are calculated based on the unique power loads characteristic to grocery stores, primarily refrigeration and maintaining safe indoor environmental conditions. Building simulations based on varying levels of backup power were carried out against occupant safety and comfort parameters to apply these metrics, with additional criteria imposed on grocery stores to capture the inventory and sales loss from food spoilage resulting from a lack of refrigeration power. Findings from this study demonstrate the feasibility of our proposed metrics and methodology to serve as a low-data burden means for stakeholders to evaluate the energy resilience of grocery stores, with greater implications in helping to understand the impact on community-scale energy resilience.

Siegel, Lino Sanchez↗
DOE OSTI2025

16 O + 16 O fusion at sub-coulomb energies

A simple optical model (OPM) method using non-monotonic (NM) potentials characterized by a repulsive core from the microscopic theory of the Pauli-led energy-density functional (EDF) has been developed to investigate the 16 O + 16 O fusion at sub-Coulomb energies relevant to the oxygen burning. Here, the study involves the analysis of the experimental fusion cross-section (FCS) data in energy range 6.92 ≤ E cm ≤ 13.83 MeV, which includes the Coulomb barrier region E cm = 10.0–11.92 MeV. Apart from an excellent description of the existing FCS data in the studied energy range, the associated hindrance, characterized by the S-factor reaching a maximum and then gradually falling off at lower energies, so far suggested empirically for the system, is reproduced down to 4 MeV for the first time in the simple OPM. An S-factor maximum of S 0 = 3.15 × 10 25 MeV.b at E 0 = 7.14 MeV is observed with T ≃ 2.6 GK, which conforms to the values reported for quiescent and explosive burning. Our reaction rate, deduced from the NM potential, compares well with the Caughlan and Fowler data. Dominant partial waves implicit in the observed maximum S-factor in the studied Gamow range are also explored. Our present findings, with the success of NM potentials, suggest that the nucleus–nucleus potential is non-monotonic.

16O+16O↗
DOE OSTI2026

Novel soft x-ray multi-energy camera to study thermal plasmas on WEST

A multi-energy soft x-ray (SXR) pinhole camera has been built, calibrated and deployed on the WEST tokamak to aid the study of thermal plasmas. This novel imaging diagnostic technique employs a 2D pixelated x-ray detector in which the lower energy threshold for photon detection can be adjusted independently on each pixel. This innovation allows the simultaneous measurement of x-rays with space, time and energy resolution. Measurements at lower energy (2–6 keV) dominated by tungsten line emission are used to estimate the tungsten concentration and the plasma ΔZ eff . Measurements at higher energy (11–18 keV), where only continuum emission is present, are employed to infer the plasma electron temperature. Other applications of this powerful diagnostic include the determination of the plasma SXR centroid vertical position, characterization of tungsten UFOs and various real-time measurements.

electron temperature↗
DOE OSTI2025

Electromagnetic energy calibration of the SoLid detector with horizontal muons

SoLid is a neutrino experiment at very-short baselinesearching for active-to-sterile oscillations of reactorantineutrinos. The detection principle is based on the pairing oftwo types of solid scintillators: polyvinyl toluene and $^{6}$Li:ZnS(Ag), which is a new technology used in this field ofPhysics. In addition to good neutron-gamma discrimination, thissetup allows the detector to be highly segmented; the basicdetection unit is a 5 cm cube. High segmentation provides numerousadvantages including precise localisation of the Inverse Beta Decay(IBD) products, the derivation of an antineutrino energy estimatorbased on the isolated positron energy, and a powerful backgroundreduction tool that relies on the topological signature of thesignal. Finally, the system is read out by a network ofwavelength-shifting fibres coupled to photosensors. A relativeelectromagnetic calibration is performed with horizontal cosmicmuons. This source poses the simplest calibration problem in which asingle detection unit is involved. In addition, large muon energydeposits allow us to perform a calibration at the most detailedlevel (i.e. per fibre) and to accurately define the fraction ofenergy escaping to neighbouring detection cells. A statisticalprecision at the sub-percent level is reached. The paper alsodiscusses two methods to calibrate the absolute energy scale andpresents their implementation and results. The first method relieson horizontal muons, though the precision is limited to around 10%because of the uncertainty in the energy distribution of suchmuons. A novel, alternative method based on the radioactiveamericium-beryllium source is proposed. It takes advantage of theelectron-positron pair-production process and provides a calibrationpoint at 3.4 MeV (i.e. in the core of the IBD positronspectrum). The paper is concluded with various cross-check includinga determination of the energy spectrum of the standard cosmogenicbackground candle: $^{12}$B.

Abreu, Y. [Antwerp U.]↗
DOE OSTI2024

City Climate Action Plans Through the Lens of The Food-Energy-Water Nexus

Interdependent resource management concepts originated in the mid-20th century, and the recent use of the term “nexus” highlights interconnected relationships among resources like food, energy, and water. United States and European science foundations have shown a growing interest in the food-energy-water (FEW) nexus, leading to increased research on their joint management. However, one major criticism of the FEW nexus is the limited translation of the research into practical policies and implementation, such as climate action plans. To assess the incorporation of FEW nexus principles into climate planning, we systematically evaluate 100 climate action plans from large U.S. cities. Our findings show that the most discussed FEW links involve energy, particularly the water-for-energy and food-for-energy connections, found in over half of the documents (56%). Our analysis promotes the integration of the FEW nexus into climate action plans while addressing the barriers to its effective implementation.

Mounir, Adil [Air Force Institute of Technology]↗
DOE OSTI2024

Establishing accretion flares from supermassive black holes as a source of high-energy neutrinos

ABSTRACT The origin of cosmic high-energy neutrinos remains largely unexplained. For high-energy neutrino alerts from IceCube, a coincidence with time-variable emission has been seen for three different types of accreting black holes: (1) a gamma-ray flare from a blazar (TXS 0506+056), (2) an optical transient following a stellar tidal disruption event (TDE; AT2019dsg), and (3) an optical outburst from an active galactic nucleus (AGN; AT2019fdr). For the latter two sources, infrared follow-up observations revealed a powerful reverberation signal due to dust heated by the flare. This discovery motivates a systematic study of neutrino emission from all supermassive black hole with similar dust echoes. Because dust reprocessing is agnostic to the origin of the outburst, our work unifies TDEs and high-amplitude flares from AGN into a population that we dub accretion flares. Besides the two known events, we uncover a third flare that is coincident with a PeV-scale neutrino (AT2019aalc). Based solely on the optical and infrared properties, we estimate a significance of 3.6σ for this association of high-energy neutrinos with three accretion flares. Our results imply that at least ∼10 per cent of the IceCube high-energy neutrino alerts could be due to accretion flares. This is surprising because the sum of the fluence of these flares is at least three orders of magnitude lower compared to the total fluence of normal AGN. It thus appears that the efficiency of high-energy neutrino production in accretion flares is increased compared to non-flaring AGN. We speculate that this can be explained by the high Eddington ratio of the flares.

Astronomy & Astrophysics↗
DOE OSTI2025

High-count-rate effects in event processing for the XRISM/Resolve X-ray microcalorimeter. II. Energy scale and resolution in orbit

The Resolve instrument on the X-ray Imaging and Spectroscopy Mission (XRISM) uses a 36 pixel microcalorimeter designed to deliver high-resolution, non-dispersive X-ray spectroscopy. Although it is optimized for extended sources with low count rates, Resolve observations of bright point sources are still able to provide unique insights into the physics of these objects, as long as high-count-rate effects are addressed in the analysis. These effects include the loss of exposure time for each pixel, changes in the energy scale, and changes in the energy resolution. To investigate these effects under realistic observational conditions, we observed the bright X-ray source, the Crab Nebula, with XRISM at several offset positions with respect to the Resolve field of view and with continuous illumination from 55 Fe sources on the filter wheel. For the spectral analysis, we excluded data where exposure-time loss was too significant to ensure reliable spectral statistics. The energy scale at 6 keV shows a slight negative shift in the high-count-rate regime. The energy resolution at 6 keV worsens as the count rate in electrically neighboring pixels increases, but can be restored by applying a nearest-neighbor coincidence cut (“cross-talk cut”). We examined how these effects influence the observation of bright point sources, using GX 13+1 as a test case, and identified an eV-scale energy offset at 6 keV between the inner (brighter) and outer (fainter) pixels. Users who seek to analyze velocity structures on the order of tens of km s–1 should account for such high-count-rate effects. These findings will aid in the interpretation of Resolve data from bright sources and provide valuable considerations for designing and planning for future microcalorimeter missions.

X-rays: general↗
DOE OSTI2025

Energy transfer between localized emitters in photonic cavities from first principles

Radiative and nonradiative resonant couplings between defects are ubiquitous phenomena in photonic devices used in classical and quantum information technology applications. In this work, we present a first-principles approach to enable quantitative predictions of the energy transfer between defects in photonic cavities, beyond the dipole-dipole approximation and including the many-body nature of the electronic states. As an example, we discuss the energy transfer from a dipolelike emitter to an 𝐹 center in MgO in a spherical cavity. We show that the cavity can be used to controllably enhance or suppress specific spin-flip and spin-conserving transitions. Specifically, we predict that an ∼10–100 enhancement in the resonant energy transfer rate can be gained in the case of the 𝐹 center in MgO at ∼10 nm distances from a dipolar source, using rather moderate cavity with quality factor 𝑄 ∼ 400. We also show that a similar suppression in the transfer rate can be achieved by off-tuning the cavity resonance relative to the emitter transition energy. The framework presented here is general and readily applicable to a wide range of devices where localized emitters are embedded in microspheres, core-shell nanoparticles, and dielectric Mie resonators. Hence, our approach paves the way to predict how to control energy transfer in quantum memories and in ultrahigh-density optical memories, and in a variety of quantum information platforms.

First-principles calculations↗
DOE OSTI2025

Collision-Energy Dependence in Heavy-Ion Collisions from Nonlinear QCD Evolution

We explore the effects of including the energy dependence determined from evolution equations within the color glass condensate framework on observables in ultrarelativistic heavy-ion collisions. This amounts to integrating the JIMWLK evolution equations into the impact parameter-dependent glasma model, which is then coupled to viscous relativistic hydrodynamics. This methodology allows for a systematic representation of nuclei at specific Bjorken-x values, which are probed at different center-of-mass energies of the collision and rapidities of final state particles. Comparing the methodology to the conventional impact parameter-dependent glasma model, we find significant effects on multiplicity distributions and particle spectra, especially in smaller collision systems at the highest center-of-mass energies. Our results highlight the importance of incorporating nonlinear QCD evolution in the description of heavy-ion collisions at varying center-of-mass energies, as the precise extraction of transport coefficients will be affected. This Letter establishes a robust framework for understanding the quark gluon plasma and nuclear structure at high energy, integrating small-x physics into the initial conditions of heavy-ion collisions.

Mäntysaari, Heikki↗
DOE OSTI2026

Radiative strength functions from the energy-localized Brink-Axel hypothesis

Radiative strength functions (RSFs) model the bulk electromagnetic response of highly excited nuclei and are critical inputs for statistical reaction codes. In this paper, we present a definition of the RSF that is consistent with Hauser-Feshbach reaction codes and that can be efficiently computed with the shell model using the Lanczos strength-function (LSF) method. Here, we introduce a variant of the shell-model LSF method that exploits the energy-localized Brink-Axel hypothesis, which makes it possible to compute both electric and magnetic RSFs across all energies relevant to capture reactions. We verify agreement with the conventional definition of RSFs with benchmark calculations of 24 Mg and then present novel results for 56 Fe. For 56 Fe we find that (i) the 𝑀⁢1 RSF shape evolves smoothly with excitation energy, consistent with the energy-localized Brink-Axel hypothesis; (ii) both 𝑀⁢1 and 𝐸⁢1 transitions contribute significantly to the radiative strength below the photoabsorption threshold; and (iii) within the sdpf model space, the strength below 3 MeV observed in Oslo-type experiments cannot be fully reproduced. These results pave the way for a coherent microscopic description of RSFs and further motivate the use of energy-dependent RSFs in modern reaction codes.

Physics - Nuclear physics and radiation physics↗
DOE OSTI2025

Measurement of the mean number of muons with energies above 500 GeV in air showers detected with the IceCube Neutrino Observatory

We present a measurement of the mean number of muons with energies larger than 500 GeV in near-vertical extensive air showers initiated by cosmic rays with primary energies between 2.5 and 100 PeV. The measurement is based on events detected in coincidence between the surface and in-ice detectors of the IceCube Neutrino Observatory. Air showers are recorded on the surface by IceTop, while a bundle of high-energy muons (TeV muons) from the shower can subsequently produce a tracklike event in the IceCube in-ice array. Results are obtained assuming the hadronic interaction models Sibyll 2.1, QGSJet-II.04, and EPOS-LHC. The measured number of TeV muons is found to be in agreement with predictions from air-shower simulations. The results have also been compared to a measurement of low-energy muons by IceTop, indicating an inconsistency between the predictions for low- and high-energy muons in simulations based on the EPOS-LHC model.

Abbasi, R. [Loyola University Chicago]↗
DOE OSTI2025

Inhomogeneous energy injection in the 21-cm power spectrum: Sensitivity to dark matter decay

The 21-cm signal provides a novel avenue to measure the thermal state of the Universe during cosmic dawn and reionization (redshifts z ~ 5–30), and thus to probe energy injection from decaying or annihilating dark matter (DM). These DM processes are inherently inhomogeneous: both decay and annihilation are density-dependent, and furthermore, the fraction of injected energy that is deposited at each point depends on the gas ionization and density, leading to further anisotropies in absorption and propagation. In this work, we develop a new framework for modeling the impact of spatially inhomogeneous energy injection and deposition during cosmic dawn, accounting for ionization and baryon density dependence, as well as the attenuation of propagating photons. We showcase how this first completely inhomogeneous treatment affects the predicted 21-cm power spectrum in the presence of exotic sources of energy injection, and forecast the constraints that upcoming HERA measurements of the 21-cm power spectrum will set on DM decays to photons and to electron/positron pairs. These projected constraints considerably surpass those derived from CMB and Lyman-a measurements, and for decays to electron/positron pairs they exceed all existing constraints in the sub-GeV mass range, reaching lifetimes of ~10 28 s. Our analysis demonstrates the unprecedented sensitivity of 21-cm cosmology to exotic sources of energy injection during the cosmic dark ages. Our code, dm21cm, includes all these effects and is publicly available in an accompanying release.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Quantum computing for energy correlators

In recent years, energy correlators have emerged as powerful observables for probing the fragmentation dynamics of high-energy collisions. We introduce the first numerical strategy for calculating energy correlators using the Hamiltonian lattice approach, providing access to the intriguing nonperturbative dynamics of these observables. Furthermore, motivated by rapid advances in quantum computing hardware and algorithms, we propose a quantum algorithm for calculating energy correlators in quantum field theories. This algorithm includes ground state preparation, the application of source, sink, energy flux and real-time evolution operators, and the Hadamard test. We validate our approach by applying it to the SU(2) pure gauge theory in 2 + 1 dimensions on 3 × 3 and 5 × 5 honeycomb lattices with 𝑗 max = $\frac{1}{2}$ at various couplings, utilizing both classical methods and the quantum algorithm, the latter tested using the IBM emulator for specific configurations. The results are consistent with the expected behavior of the strong coupling regime and motivate a more comprehensive study to probe the confinement dynamics across the weak and strong coupling regimes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗