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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Stimulated Raman scattering mechanisms and scaling behavior in planar direct-drive experiments at the National Ignition Facility

Stimulated Raman scattering (SRS) has been investigated comprehensively in planar-geometry experiments at the National Ignition Facility at conditions relevant to the corona of inertial con finement fusion (ICF) ignition-scale direct-drive targets. These experiments at measured electron temperatures of 4 to 5 keV, simulated density scale lengths Ln of 400 to 700 um, and laser intensities at the quarter-critical density of up to 1.5 x 10 15 W/cm 2 have determined SRS thresholds and the scaling behavior of SRS for various beam geometries. Several SRS mechanisms, including saturated absolute SRS near the quarter-critical density and additional SRS, including near-backscatter or sidescatter at lower densities, have been identi fied. Correlation of time-dependent SRS at densities ~0.15 to 0.21 of the critical density with hot-electron signatures, as well as the magnitudes of these signatures across different experiments, is observed. Additional modeling work is needed to de nitively identify the density region in which hot electrons are generated, and will guide SRS and hot-electron preheat mitigation strategies for direct-drive-ignition designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Source size of x rays from self-modulated laser wakefield accelerators

A comparative study of x-ray sources generated with different mechanisms from self-modulated laser wakefield acceleration (SM-LWFA) electrons was performed to compare the source size or spatial resolution for use in high energy density science applications. We examine the source size of betatron, inverse Compton scattering, and bremsstrahlung radiation with a Fresnel diffraction based formalism and a modified x-ray ray tracing model. We observe the dependence of source size on the radiation generation process, laser parameters, and compare to what is possible in other regimes of LWFA, as well as current methods. This information is significant as we begin to explore the use of light sources driven by SM-LWFA for use as a diagnostic at large-scale laser facilities where blowout regime LWFA is not possible.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

From particle attachment to space-filling coral skeletons

Reef-building corals and their aragonite (CaCO 3 ) skeletons support entire reef ecosystems, yet their formation mechanism is poorly understood. Here we used synchrotron spectromicroscopy to observe the nanoscale mineralogy of fresh, forming skeletons from six species spanning all reef-forming coral morphologies: Branching, encrusting, massive, and table. In all species, hydrated and anhydrous amorphous calcium carbonate nanoparticles were precursors for skeletal growth, as previously observed in a single species. The amorphous precursors here were observed in tissue, between tissue and skeleton, and at growth fronts of the skeleton, within a low-density nano- or microporous layer varying in thickness from 7 to 20 µm. Brunauer-Emmett-Teller measurements, however, indicated that the mature skeletons at the microscale were space-filling, comparable to single crystals of geologic aragonite. Nanoparticles alone can never fill space completely, thus ion-by-ion filling must be invoked to fill interstitial pores. Such ion-by-ion diffusion and attachment may occur from the supersaturated calcifying fluid known to exist in corals, or from a dense liquid precursor, observed in synthetic systems but never in biogenic ones. Concomitant particle attachment and ion-by-ion filling was previously observed in synthetic calcite rhombohedra, but never in aragonite pseudohexagonal prisms, synthetic or biogenic, as observed here. Models for biomineral growth, isotope incorporation, and coral skeletons’ resilience to ocean warming and acidification must take into account the dual formation mechanism, including particle attachment and ion-by-ion space filling.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Tree architecture: A strigolactone-deficient mutant reveals a connection between branching order and auxin gradient along the tree stem

Due to their long lifespan, trees and bushes develop higher order of branches in a perennial manner. In contrast to a tall tree, with a clearly defined main stem and branching order, a bush is shorter and has a less apparent main stem and branching pattern. To address the developmental basis of these two forms, we studied several naturally occurring architectural variants in silver birch (Betula pendula). Using a candidate gene approach, we identified a bushy kanttarelli variant with a loss-of-function mutation in the BpMAX1 gene required for strigolactone (SL) biosynthesis. While kanttarelli is shorter than the wild type (WT), it has the same number of primary branches, whereas the number of secondary branches is increased, contributing to its bush-like phenotype. To confirm that the identified mutation was responsible for the phenotype, we phenocopied kanttarelli in transgenic BpMAX1::RNAi birch lines. SL profiling confirmed that both kanttarelli and the transgenic lines produced very limited amounts of SL. Interestingly, the auxin (IAA) distribution along the main stem differed between WT and BpMAX1::RNAi. In the WT, the auxin concentration formed a gradient, being higher in the uppermost internodes and decreasing toward the basal part of the stem, whereas in the transgenic line, this gradient was not observed. Through modeling, we showed that the different IAA distribution patterns may result from the difference in the number of higher-order branches and plant height. Future studies will determine whether the IAA gradient itself regulates aspects of plant architecture.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Photoselective isotope fractionation dynamics of N 2 with cosmo and atmospheric chemistry perspectives

Stable isotope ratio measurements provide valuable insights into a broad range of natural processes, from planetary atmospheres and climate to interstellar chemistry. Nitrogen, which has two stable isotopes, exhibits varying isotope ratios across the solar system. To model these observations, the isotope fraction as a function of energy is essential. At the Advanced Light Source (ALS), we measured the photodissociation of molecular nitrogen (N 2 ) with vacuum UV photons where a single photon is sufficiently energetic to dissociate the strong bond. The nitrogen atoms produced are scavenged with H 2 to form ammonia, whose isotopic makeup is determined. Blending the experiments with dynamical computations that include the shielding of light, we examine the isotopic composition and electronic atomic states produced. The measured photodissociation of N 2 at a natural isotopic composition with a frequency broad light beam exceptionally strongly favors the formation of the heavier nitrogen isotope, 15 N. Computations concur and suggest that the maximum in the quantum yield reflects significant variations in the specific electronic quantum states of the product N atoms that have quite different reactivities. Our quantum computations show that at similar energies, photodissociation of 14 N 14 N and 15 N 14 N can lead to different product channels. The computed dynamics include extensive state-selective spin–orbit and nonadiabatic couplings affecting the light absorption and dissociation pathways that proceed via the triplet manifold of states. Our results are relevant for future exploration missions, both in situ and sample-return and for other molecules such as O 2 and CO.

Komarova, Ksenia [Hebrew Univ. of Jerusalem (Israe↗
DOE OSTI2024

Applications of emulation and Bayesian methods in heavy-ion physics

Abstract Heavy-ion collisions provide a window into the properties of many-body systems of deconfined quarks and gluons. Understanding the collective properties of quarks and gluons is possible by comparing models of heavy-ion collisions to measurements of the distribution of particles produced at the end of the collisions. These model-to-data comparisons are extremely challenging, however, because of the complexity of the models, the large amount of experimental data, and their uncertainties. Bayesian inference provides a rigorous statistical framework to constrain the properties of nuclear matter by systematically comparing models and measurements. This review covers model emulation and Bayesian methods as applied to model-to-data comparisons in heavy-ion collisions. Replacing the model outputs (observables) with Gaussian process emulators is key to the Bayesian approach currently used in the field, and both current uses of emulators and related recent developments are reviewed. The general principles of Bayesian inference are then discussed along with other Bayesian methods, followed by a systematic comparison of seven recent Bayesian analyses that studied quark-gluon plasma properties, such as the shear and bulk viscosities. The latter comparison is used to illustrate sources of differences in analyses, and what it can teach us for future studies.

Paquet, Jean-François (ORCID:0000000187368171)↗
DOE OSTI2025

A semi-analytic estimate for the effective sound speed counterterm in the EFTofLSS

The Effective Field Theory of Large Scale Structure (EFTofLSS) has found tremendous success as a perturbative framework for the evolution of large scale structure, and it is now routinely used to compare theoretical predictions against cosmological observations. The model for the total matter field includes one nuisance parameter at 1-loop order, the effective sound speed, which can be extracted by matching the EFT to full N-body simulations. In this work we first leverage the Layzer-Irvine cosmic energy equation to show that the equation of state can be exactly computed with knowledge of the fully nonlinear power spectrum. When augmented with separate universe methods, we show one can estimate the effective sound speed. This estimate is in good agreement with simulation results, with errors at the few tens of percent level. Here, we apply our method to investigate the cosmology dependence of the effective sound speed and to shed light on what cosmic structures shape its value.

Cosmological perturbation theory in GR and beyond↗
DOE OSTI2025

The HalfDome multi-survey cosmological simulations: N-body simulations

Upcoming cosmological surveys have the potential to reach groundbreaking discoveries on multiple fronts, including the neutrino mass, dark energy, and inflation. Most of the key science goals require the joint analysis of datasets from multiple surveys to break parameter degeneracies and calibrate systematics. To realize such analyses, a large set of mock simulations that realistically model correlated observables is required. In this paper we present the N-body component of the HalfDome cosmological simulations, designed for the joint analysis of Stage-IV cosmological surveys, such as Rubin LSST, Euclid, SPHEREx, Roman, DESI, PFS, Simons Observatory, CMB-S4, and LiteBIRD. Our 300TB initial data release includes full-sky lightcones and halo catalogs between z = 0–4 for 11 fixed cosmology realizations, as well as an additional run with local primordial non-Gaussianity (f NL = 20). The simulations evolve 61443 particles in a 3.75 h -1 Gpc box, reaching a minimum halo mass of ∼6 × 1012 h -1 M ⊙ and maximum scale of k ∼ h Mpc-1. Our data is publicly available: instructions to access the data and plans for future data releases can be found at https://halfdomesims.github.io.

Bayer, Adrian E↗
DOE OSTI2026

The ballad of LLM agents: philosophical reasoning for chemistry

Large language models (LLMs) show remarkable potential for scientific reasoning but often produce unreliable or scientifically unactionable outputs when faced with multi-step logic, domain grounding, and interpretability challenges, especially in complex fields like chemistry and materials science. Here, we introduce a framework of philosophical reasoning agents, inspired by canonical thinkers such as Socrates, Descartes, Kant, and Hume, to guide LLM behavior via structured prompt engineering. These agents embody distinct reasoning paradigms (dialectical inquiry, deductive logic, rule-based judgment, and empirical validation) and are evaluated across multiple chemistry subdomains, physical, analytical, general, inorganic, and organic chemistry, using the ChemBench benchmark. Our agentic prompting approach yields substantial accuracy gains on open-ended numerical chemistry questions, with gains of +11.5 percentage points for GPT-4o with Hume, +4.5 percentage points for GPT-5 with Kant, and +21.8 percentage points for GPT-5.1 with Socrates at the strict 1% error threshold, relative to the corresponding base models. Beyond accuracy, we observe benchmark-level model–agent performance patterns, suggesting that different prompting styles interact differently with each base model. These findings demonstrate that embedding philosophy-of-science principles into multi-agent frameworks can improve and produce interpretable, adaptive, and domain-aligned scientific LLMs.

Harb, Hassan [Argonne National Laboratory (ANL), A↗
DOE OSTI2023

3-D Simulations of earthquakes rupture jumps: 1. Homogeneous pre-stress conditions

SUMMARY Observational and modelling studies indicate that earthquake ruptures can jump between fault sections as large as ∼3 and ∼5 km for compressional and extensional offsets, respectively. Here, we compare characteristics of the rupture jump process on parallel but offset fault sections from traditional 3-D dynamic rupture simulations governed by slip weakening friction using the finite element code, FaultMod, to those from quasi-dynamic simulations governed by rate- and state-dependent friction (rate-state friction) using the code RSQSim. These simulations use spatially uniform initial stresses. For a variety of measures the rupture renucleation position on the offset fault, the rate-state friction and slip weakening friction models produce very similar results. The principal difference is the additional occurrence of delayed rupture jumps that arise from the time- and stress-dependent nucleation that is characteristic of rate-state friction. For immediate rupture jumps, models with slip weakening friction span greater offsets than those with rate-state friction. However the jump distances are nearly identical when delayed rupture jumps are included in the comparisons. We propose that delayed rupture jumps are the likely mechanism for adjacent large-earthquake pairs and clusters. Based on the similarity of renucleation positions with both dynamic and quasi-dynamic models, we conclude that the renucleation positions for rupture initiation on the receiver fault (separated by less than ∼3 km from the source fault) are primarily controlled by static stress changes induced by slip on the initiating fault. However, in light of the slightly greater maximum jump distances (>3 km) seen with the dynamic slip weakening friction model, dynamic stress changes from seismic waves play an increasingly important role as offset distances increase.

, RSQSim↗
DOE OSTI2021

Inelastic rate coefficients for collisions of C 4 H - with H 2

Carbon-chain anions were recently detected in the interstellar medium. These very reactive species are used as tracers of the physical and chemical conditions in a variety of astrophysical environments. However, the local thermodynamic equilibrium conditions are generally not fulfilled in these environments. Therefore, collisional as well as radiative rates are needed to accurately model the observed emission lines. We determine in this work the state-to-state rate coefficients of C 4 H- in collision with both ortho- and para-H 2 . A new ab initio 4D potential energy surface was computed using explicitly correlated coupled-cluster procedures. This surface was then employed to determine rotational excitation and de-excitation cross-sections and rate coefficients for the first 21 rotational levels (up to rotational level j 1 = 20) using the close-coupling method, while the coupled-state approximation was used to extend the calculations up to j 1 = 30. State-to-state rate coefficients were obtained for the temperature range 2–100K. The differences between the ortho- and para-H 2 rate coefficients are found to be small.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The protoplanetary disc around HD 169142: circumstellar or circumbinary?

ABSTRACT Stellar binaries represent a substantial fraction of stellar systems, especially among young stellar objects. Accordingly, binaries play an important role in setting the architecture of a large number of protoplanetary discs. Binaries in coplanar and polar orientations with respect to the circumbinary disc are stable configurations and could induce non-axisymmetric structures in the dust and gas distributions. In this work, we suggest that the structures shown in the central region of the protoplanetary disc HD 169142 are produced by the presence of an inner stellar binary and a circumbinary (P-type) planet. We find that a companion with a mass ratio of 0.1, semimajor axis of 9.9 au, eccentricity of 0.2, and inclination of 90°, together with a 2 MJ coplanar planet on a circular orbit at 45 au reproduce the structures at the innermost ring observed at 1.3 mm and the shape of spiral features in scattered light observations. The model predicts changes in the disc’s dust structure, and star’s astrometric parameters, which would allow testing its veracity by monitoring this system over the next 20 yr.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Revisit NGC 5466 tidal stream with Gaia , SDSS/SEGUE, and LAMOST

ABSTRACT By mining the data from Gaia Early Data Release 3, Sloan Digital Sky Survey/Sloan Extension for Galactic Understanding and Exploration Data Release 16, and Large Sky Area Multi-Object Fiber Spectroscopic Telescope Data Release 8, 11 member stars of the NGC 5466 tidal stream are detected and 7 of them are newly identified. To reject contaminators, a variety of cuts are applied in sky position, colour–magnitude diagram, metallicity, proper motion, and radial velocity. We compare our data to a mock stream generated by modelling the cluster’s disruption under a smooth Galactic potential plus the Large Magellanic Cloud (LMC). The concordant trends in phase space between the model and observations imply that the stream might have been perturbed by the LMC. The two most distant stars among the 11 detected members trace the stream’s length to 60° of sky, supporting and extending the previous length of 45°. Given that NGC 5466 is so distant and potentially has a longer tail than previously thought, we expect that the NGC 5466 tidal stream could be a useful tool in constraining the Milky Way gravitational field.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

DESI mock challenge: constructing DESI galaxy catalogues based on FastPM simulations

Together with larger spectroscopic surveys such as the Dark Energy Spectroscopic Instrument (DESI), the precision of large-scale structure studies and thus the constraints on the cosmological parameters are rapidly improving. Therefore, one must build realistic simulations and robust covariance matrices. We build galaxy catalogues by applying a halo occupation distribution (HOD) model upon the FastPM simulations, such that the resulting galaxy clustering reproduces high-resolution N-body simulations. While the resolution and halo finder are different from the reference simulations, we reproduce the reference galaxy two-point clustering measurements – monopole and quadrupole – to a precision required by the DESI Year 1 emission line galaxy sample down to non-linear scales, i.e. $k\lt 0.5\, h\, \mathrm{Mpc}^{-1}$ or $s\gt 10\, \mathrm{Mpc}\, h^{-1}$. Furthermore, we compute covariance matrices based on the resulting FastPM galaxy clustering – monopole and quadrupole. We study for the first time the effect of fitting on Fourier conjugate (e.g. power spectrum) on the covariance matrix of the Fourier counterpart (e.g. correlation function). We estimate the uncertainties of the two parameters of a simple clustering model and observe a maximum variation of 20 per cent for the different covariance matrices. Nevertheless, for most studied scales the scatter is between 2 and 10 per cent. Consequently, using the current pipeline we can precisely reproduce the clustering of N-body simulations and the resulting covariance matrices provide robust uncertainty estimations against HOD fitting scenarios. We expect our methodology will be useful for the coming DESI data analyses and their extension for other studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Mass dependence of halo baryon fractions from the kinetic Sunyaev–Zeldovich effect

ABSTRACT We detect the kinetic Sunyaev–Zeldovich imprint of peculiar motions of galaxy groups and clusters, using the photometric Dark Energy Spectroscopic Instrument Legacy Surveys together with cosmic microwave background (CMB) maps from the Atacama Cosmology Telescope (ACT). We develop a comprehensive forward model based on the AbacusSummit cosmological simulations: Mock galaxy group catalogues and synthetic kinetic Sunyaev–Zeldovich (kSZ) maps are generated, together with a reconstructed peculiar velocity field that allows for photo-z errors, redshift-space distortions, and survey masks. We investigate possible contamination from the cosmic infrared background (CIB), finding that CIB effects are subdominant to the kSZ signal in the relevant ACT frequency channel. We then predict the kSZ signal expected when stacking CMB temperature maps around groups, taking account of their estimated radial velocities. Comparing the model with observations, we are able to constrain the total baryon fraction within haloes, as well as their internal gas profiles. We find evidence for mass dependence of the halo baryon fraction within the virial radius. The gas fraction in massive groups is consistent with the universal baryon fraction, but low-mass groups ($10^{12.5} \lesssim M\, /\, h^{-1}\, \mathrm{M}_\odot \lesssim 10^{14}$) are depleted to $0.38 \pm 0.11$ times the universal baryon fraction. We find this low virial baryon fraction to be consistent with an extended gas profile, for which the total baryon content reaches the universal value well beyond the virial radius. This conclusion is consistent with previous analyses using X-ray, kSZ, and weak lensing, and plausibly reflects energetic feedback processes from the galaxies in these haloes.

Roper, Finn A [Institute for Astronomy, University↗
DOE OSTI2021

Spin dynamics of the spin-chain antiferromagnet RbFeS 2

In this work, we report transport and inelastic neutron scattering studies on electronic properties and spin dynamics of the quasi-one-dimensional spin-chain antiferromagnet RbFeS 2 . An antiferromagnetic phase transition at TN≈195 K and dispersive spin waves with a spin gap of 5 meV are observed. By modeling the spin excitation spectra using linear spin wave theory, intra and interchain exchange interactions are found to be SJ 1 =100(5) meV and SJ 3 =0.9(3) meV, respectively, together with a small single-ion anisotropy of SD zz =0.04(1) meV. Comparison with previous results for other materials in the same class of Fe 3+ spin-chain systems reveals that although the magnetic order sizes show significant variation from 1.8 to 3.0μ B within the family of materials, the exchange interactions SJ are nevertheless quite similar, analogous to the iron pnictide superconductors where both localized and delocalized electrons contribute to the spin dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Higher-order transverse momentum fluctuations in heavy-ion collisions

In relativistic heavy-ion collisions, the event-by-event mean transverse momentum fluctuations are sensitive to overlap area and energy density fluctuations in the initial state. We present a framework to calculate p T fluctuations up to fourth order using standard and subevent methods, which is validated using the HIJING model. We observe a power-law dependence for cumulants of all orders as a function of charged particle multiplicity N ch , consistent with a simple independent source picture. The fluctuation in pp collisions is observed to be larger than for p+Pb, Pb + Pb, and Xe + Xe collisions at the same N ch due to bias in the number of contributing sources. The short-range correlations are greatly suppressed in the subevent method in comparison to calculations based on the standard method. This paper provides a baseline for transverse momentum fluctuations without the presence of final-state effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Systematic study of nuclear effects in p + Al , p + Au , d + Au , and He 3 + Au collisions at s N N = 200 GeV using π 0 production

The PHENIX Collaboration presents a systematic study of inclusive π 0 production from p + p , p + Al , p + Au , d + Au , and He 3 + Au collisions at s N N = 200 GeV . Measurements were performed with different centrality selections as well as the total inelastic, 0–100%, selection for all collision systems. For 0–100% collisions, the nuclear-modification factors, R x A , are consistent with unity for p T above 8 GeV / c , but exhibit an enhancement in peripheral collisions and a suppression in central collisions. The enhancement and suppression characteristics are similar for all systems for the same centrality class. It is shown that for high- p T - π 0 production, the nucleons in the d and He 3 interact mostly independently with the Au nucleus and that the counterintuitive centrality dependence is likely due to a physical correlation between multiplicity and the presence of a hard scattering process. These observations disfavor models where parton energy loss has a significant contribution to nuclear modifications in small systems. Nuclear modifications at lower p T resemble the Cronin effect—an increase followed by a peak in central or inelastic collisions and a plateau in peripheral collisions. The peak height has a characteristic ordering by system size as p + Au > d + Au > He 3 + Au > p + Al . For collisions with Au ions, current calculations based on initial-state cold nuclear matter effects result in the opposite order, suggesting the presence of other contributions to nuclear modifications, in particular at lower p T .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗