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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Elastic and resonance structures of the nucleon from the hadronic tensor in lattice QCD: Implications for neutrino-nucleon scattering and hadron physics

We compute the Euclidean hadronic tensor from charge density operators and extract elastic and resonance structures by employing exponential fits to the four-point function correlator, as well as a Bayesian reconstruction inverse algorithm to obtain the corresponding spectral density for qualitative comparison. We present the determination of the nucleon’s Sachs electric form factor using the hadronic tensor formalism and verify that it is consistent with that from the conventional three-point function calculation. Beyond the elastic peak, we observe a structure located approximately 0.5–0.7 GeV above the nucleon mass in the Bayesian reconstruction. This structure is interpreted as a mixture of the Roper resonance [𝑁⁡(1440)], and states with both positive and negative parities in this mass region, as well as multihadron states. Assuming the observed structure is dominated by 𝐽 𝑃 = 1/2 ± states, we extract the transition electric form factor 𝐺$^*_𝐸$⁡(𝑄 2 ) and the corresponding longitudinal helicity amplitude 𝑆 1/2 ⁡(𝑄 2 ), and compare them with those determined from the CLAS experimental data of nucleon-to-Roper transition. Although fitting to the four-point correlation function or using the inverse algorithm does not resolve individual resonances, it nevertheless enables the determination of total inclusive lepton–nucleon scattering cross sections in appropriate energy bins. This lattice QCD calculation presents the first major step toward studying the inclusive 𝑁 → 𝑋 contributions within the hadronic tensor formalism.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Structural diversity and clustering of bacterial flagellar outer domains

Supercoiled flagellar filaments function as mechanical propellers within the bacterial flagellum complex, playing a crucial role in motility. Flagellin, the building block of the filament, features a conserved inner D0/D1 core domain across different bacterial species. In contrast, approximately half of the flagellins possess additional, highly divergent outer domain(s), suggesting varied functional potential. In this study, we report atomic structures of flagellar filaments from three distinct bacterial species: Cupriavidus gilardii , Stenotrophomonas maltophilia , and Geovibrio thiophilus . Our findings reveal that the flagella from the facultative anaerobic G. thiophilus possesses a significantly more negatively charged surface, potentially enabling adhesion to positively charged minerals. Furthermore, we analyze all AlphaFold predicted structures for annotated bacterial flagellins, categorizing the flagellin outer domains into 682 structural clusters. This classification provides insights into the prevalence and experimental verification of these outer domains. Remarkably, two of the flagellar structures reported herein belong to a distinct cluster, indicating additional opportunities on the study of the functional diversity of flagellar outer domains. Our findings underscore the complexity of bacterial flagellins and open up possibilities for future studies into their varied roles beyond motility.

Science & Technology - Other Topics↗
DOE OSTI2025

𝜂 and 𝜂′ meson production in 𝐽/𝜓 radiative decays from lattice QCD

We report on the computation of amplitudes describing the radiative decay processes 𝐽/𝜓 →𝛾⁢𝜂 and 𝐽/𝜓 →𝛾⁢𝜂′ from first principles via lattice quantum chromodynamics (QCD). Using lattices with two heavier than physical degenerate flavors of light quark where 𝑚 𝜋 ∼391 MeV, and a strange quark tuned to approximately the physical value, we compute three-point correlation functions using optimized meson operators with a range of momenta. The use of optimized operators allows access to the 𝜂′, even though it appears as an excited state, lying above the ground-state 𝜂 in the isoscalar pseudoscalar channel. Statistically precise signals are obtained in this disconnected process by averaging over large numbers of kinematically equivalent correlators. We determine transition form factors as a function of photon virtuality across the timelike region, which describe also the Dalitz processes 𝐽/𝜓 →𝑒 + ⁢𝑒 − ⁢𝜂 (′) . Significantly lower magnitudes of transition form factor for both the 𝜂 and 𝜂′ are found than those extracted from experimental data, and possible explanations for this observation are presented.

form factors↗
DOE OSTI2025

Seedless nonresonant gas-flow velocimetry with single-shot coherent Rayleigh-Brillouin scattering

We demonstrate neutral gas-flow velocimetry by exploiting the optical dipole forces exerted by precisely tailored high-intensity laser fields on polarizable particles, in the form of single-shot coherent Rayleigh-Brillouin scattering (CRBS). This enables mapping of the velocity distribution function of the particles in a single laser shot of approximately 200 ns duration, allowing us to perform spectroscopic measurements in the time, rather than the frequency, domain. Importantly, CRBS results in a coherent signal beam, which renders the technique ideal for measurements in optically noisy environments. By correlating the time shift of the resulting spectrum to the Doppler shift caused by the bulk motion of particles, we perform neutral gas-flow velocimetry without the need to seed the flow, nondestructively, for a variety of gases, atomic or molecular. We demonstrate gas-flow velocimetry at flow velocities as low as 1 m ⁢s −1 , with similar velocity resolution, while temperature and gas density can also be estimated from the same single-shot spectra. To prove the effectiveness of the measurement technique, we benchmark it against Pitot tube measurements, which show excellent agreement.

Gerakis, Alexandros [Luxembourg Institute of Scien↗
DOE OSTI2026

Enhanced antineutrino emission from 𝛽 decay in core-collapse supernovae with self-consistent weak decay rates

Nuclear weak-interaction rates are known to exert a prominent effect in the late stages of stellar collapse. Despite their importance, most studies to date on core-collapse supernovae (CCSNe) have focused primarily on the effects of electron captures, neglecting 𝛽 decay contributions. In this work, we present the first CCSNe simulation incorporating global 𝛽 decay rates from a microscopic theory. These are enabled by a large-scale evaluation of both electron capture and 𝛽 decay rates, obtained self-consistently utilizing the relativistic energy density functional theory and finite-temperature quasiparticle random-phase approximation. Including 𝛽 decay leads to a dramatic enhancement of the pre-bounce antineutrino signal as the antineutrino emissivity increases by more than two orders of magnitude and the luminosity by a factor of 50 relative to thermal emission alone, while the average antineutrino energy increases by over 1 MeV. Furthermore, it is expected that these new rates could help us constrain the model uncertainties related to weak-interaction processes, improving the prediction of antineutrino signal during the final stages of stellar death.

Beta decay↗
DOE OSTI2025

Ergodic Lagrangian dynamics in a superhero universe

We present a fictional scenario that, while undeniably whimsical, provides the foundation for a unique exercise in extended problem solving, physics analysis, and quantitative model development. Starting with the foundational premise of the Wild Cards shared-world superhero universe, we demonstrate how a variety of concepts appropriate to the advanced undergraduate level—ergodicity, functional analysis, Lagrangian mechanics, and the ever-important simplifying approximation—can be combined into a rich, coherent mathematical model. The goal of this case study is to develop a useful pedagogical exercise in exploring an open-ended research question that presents, at first glance, no clear path forward. Being both eclectic and lengthy, this exercise offers a unique way for students to apply their core physics and mathematics education. It is perhaps best used within a senior honors seminar or within a brief (e.g., January term) elective class.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Galaxy Clustering with LSST: Effects of Number Count Bias from Blending

The Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) will survey the southern sky to create the largest galaxy catalog to date, and its statistical power demands an improved understanding of systematic effects such as source overlaps, also known as blending. In this work we study how blending introduces a bias in the number counts of galaxies (instead of the flux and colors), and how it propagates into galaxy clustering statistics. We use the 300 deg 2 DC2 image simulation and its resulting galaxy catalog (LSST Dark Energy Science Collaboration et al. 2021) to carry out this study. We find that, for a LSST Year 1 (Y1)-like cosmological analyses, the number count bias due to blending leads to small but statistically significant differences in mean redshift measurements when comparing an observed sample to an unblended calibration sample. In the two-point correlation function, blending causes differences greater than 3σ on scales below approximately 10', but large scales are unaffected. We fit Ω m and linear galaxy bias in a Bayesian cosmological analysis and find that the recovered parameters from this limited area sample, with the LSST Y1 scale cuts, are largely unaffected by blending. Our main results hold when considering photometric redshift and a LSST Year 5 (Y5)-like sample.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The algebraic structure of gravitational scrambling

We introduce a new algebraic framework to describe gravitational scrambling, including the semiclassical limit of any out-of-time-order correlation function that is built out of operator insertions separated by approximately the scrambling time. In two dimensions, the scrambling algebra, which we call a modular-twisted product, is defined in terms of two copies of the Leutheusser-Liu half-sided modular inclusion of von Neumann algebras; these describe early- and late-time operators respectively. In limits where the separation between insertions is taken to be either significantly greater or smaller than the scrambling time, the modular-twisted product reduces, respectively, to free- and tensor-product algebras that were previously studied in [arXiv:2209.10454]. In a sense, the modular-twisted product interpolates between these two products. Including the Hamiltonian in the scrambling algebra leads to a Type II$_\infty$ von Neumann algebra with finite renormalized entropies that interpolate between single-QES and multi-QES phases. We also describe how to generalize the modular-twisted product algebra to higher dimensions, including spatially localized boundary excitations.

FOS: Physical sciences↗
DOE OSTI2025

Cosmic Reionization on Computers: Statistical Properties of the Distributions of Mean Opacities

Quasar absorption lines provide a unique window to the relationship between galaxies and the intergalactic medium during the Epoch of Reionization. In particular, high redshift quasars enable measurements of the neutral hydrogen content of the universe. However, the limited sample size of observed quasar spectra, particularly at the highest redshifts, hampers our ability to fully characterize the intergalactic medium during this epoch from observations alone. In this work, we characterize the distributions of mean opacities of the intergalactic medium in simulations from the Cosmic Reionization on Computers (CROC) project. We find that the distribution of mean opacities along sightlines follows a non-trivial distribution that cannot be easily approximated by a known distribution. When comparing the cumulative distribution function of mean opacities measurements in subsamples of sample sizes similar to observational measurements from the literature, we find consistency between CROC and observations at redshifts $z\lesssim 5.7$. However, at higher redshifts ($z\gtrsim5.7$), the cumulative distribution function of mean opacities from CROC is notably narrower than those from observed quasar sightlines implying that observations probe a systematically more opaque intergalactic medium at higher redshifts than the intergalactic medium in CROC boxes at these same redshifts. This is consistent with previous analyses that indicate that the universe is reionized too early in CROC simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Static Subspace Approximation for Random Phase Approximation Correlation Energies: Implementation and Performance

Developing theoretical understanding of complex reactions and processes at interfaces requires using methods that go beyond semilocal density functional theory to accurately describe the interactions between solvent, reactants and substrates. Methods based on many-body perturbation theory, such as the random phase approximation (RPA), have previously been limited due to their computational complexity. However, this is now a surmountable barrier due to the advances in computational power available, in particular through modern GPU-based supercomputers. In this work, we describe the implementation of RPA calculations within BerkeleyGW and show its favorable computational performance on large complex systems relevant for catalysis and electrochemistry applications. Our implementation builds off of the static subspace approximation which, by employing a compressed representation of the frequency dependent polarizability, enables the evaluation of the RPA correlation energy with significant acceleration and systematically controllable accuracy. We find that the computational cost of calculating the RPA correlation energy scales only linearly with system size for systems containing up to 50 thousand bands, and is expected to scale quadratically thereafter. We also show excellent strong scaling results across several supercomputers, demonstrating the performance and portability of this implementation.

algorithmic development↗
DOE OSTI2024

A Corrected Score Function Framework for Modelling Circadian Gene Expression

Many biological processes display oscillatory behaviour based on an approximately 24 h internal timing system specific to each individual. One process of particular interest is gene expression, for which several circadian transcriptomic studies have identified associations between gene expression during a 24 h period and an individual's health. A challenge with analysing data from these studies is that each individual's internal timing system is offset relative to the 24 h day-night cycle, where day–night cycle time is recorded for each collected sample. Laboratory procedures can accurately determine each individual's offset and determine the internal time of sample collection. However, these laboratory procedures are labour-intensive and expensive. Here, in this paper, we propose a corrected score function framework to obtain a regression model of gene expression given internal time when the offset of each individual is too burdensome to determine. A feature of this framework is that it does not require the probability distribution generating offsets to be symmetric with a mean of zero. Simulation studies validate the use of this corrected score function framework for cosinor regression, which is prevalent in circadian transcriptomic studies. Illustrations with data from three circadian transcriptomic studies further demonstrate that the proposed framework consistently mitigates bias relative to using a score function that does not account for this offset.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

A note on the reliability of goal-oriented error estimates for Galerkin finite element methods with nonlinear functionals

Here, we consider estimating the discretization error in a nonlinear functional J (u) in the setting of an abstract variational problem: find u ϵ $\mathscr{V}$ such that B (u, φ) = L (φ) ∀φ ϵ $\mathscr{V}$, as approximated by a Galerkin finite element method. Here, $\mathscr{V}$ is a Hilbert space, B (. , .) is a bilinear form, and L (∙) is a linear functional. We consider well-known error estimates η of the form J (u) - J (u h ) ≈ η = L (z) - B (u h , z), where u h denotes a finite element approximation to u, and z denotes the solution to an auxiliary adjoint variational problem. We show that there exist nonlinear functionals for which error estimates of this form are not reliable, even in the presence of an exact adjoint solution z. An estimate η is said to be reliable if there exists a constant C ϵ $\mathbb{R}$ >0 independent of u h such that |J (u) - J (u h )| ≤ C|η|. We present several example pairs of bilinear forms and nonlinear functionals where reliability of η is not achieved.

A posteriori↗
DOE OSTI2025

Applications of the modified Hulthén-Kohn method for bound and scattering states

We adapt the Hulthén–Kohn method suggested by Efros [Phys. Rev. C 99, 034620 (2019)] for calculating various observables in the continuum and discrete spectrum using two-body interactions in single- and coupled channel systems. We explore the convergence of phase shifts and wave functions as well as the location of S-matrix poles which enables obtaining both resonance and bound state parameters. We find that employing a harmonic oscillator basis, together with an interaction smoothing scheme introduced by Gyarmati et al. [Nucl. Phys. A 326, 119 (1979)], and adopting approximate bound-state solutions for the short-range components of basis wave functions lead to good convergence even with restricted oscillator quanta accessible for modern no-core shell model codes. The adapted Efros method will facilitate ab initio many-body nuclear structure applications.

Nuclear reactions↗
DOE OSTI2024

Griffin: A MOOSE-based reactor physics application for multiphysics simulation of advanced nuclear reactors

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor physics application for multiphysics simulations of advanced reactor designs jointly developed by Idaho National Laboratory and Argonne National Laboratory. This paper summarizes the motivation, significance, architecture, design, and features of Griffin. Griffin offers flexible and extensible features to address the challenges associated with advanced reactor designs. These features range from fundamental particle transport to specific reactor physics tasks. The features cover a wide range including on-the-fly and traditional two-step cross-section generation methods, steady-state and transient transport solvers suitable for both heterogeneous and homogeneous models, high-fidelity depletion where thousands of isotopes can be tracked and low-fidelity depletion characterized by burnup, etc. The most fundamental aspect that sets Griffin apart from other reactor analysis codes is that it is developed based on the MOOSE framework. A modular development approach is strongly enforced, with multiphysics being an essential element considered since the beginning of Griffin’s development. Griffin links various MOOSE physics modules and couples to other MOOSE-based applications and non-MOOSE-based applications for multiphyiscs simulations. Griffin includes three modules: ISOXML for preparing and managing multigroup cross sections, radiation transport for solving the neutron transport equation, and reactor analysis for user-oriented reactor physics analysis functionalities. Griffin uses various finite element methods for spatial discretization, multigroup approximation for energy discretization and discrete ordinates method, spherical harmonics expansion method, and diffusion approximation for streaming direction discretization to solve the neutron transport equation. Griffin’s flexibility is evidenced through Griffin’s various applications to fast reactor, high-temperature reactor, pebble bed reactor, molten salt reactor, and microreactor designs. Griffin development follows the software quality assurance procedure for MOOSE-based applications and with software requirements consistent with the ASME NQA-1 standard. Griffin has been adopted into the reactor analysis system for the U.S. NRC and is in use at U.S. companies, universities and national laboratories.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Why Are 5-Thioglycopyranosyl Donors More Axially Selective than their Glycopyranosyl Counterparts? A Low and Variable Temperature NMR Spectroscopy and Computational Study

5-Thioglycopyranosyl donors differ in reactivity and selectivity from simple glycopyranosyl donors. An extensive study has been conducted on the nature and stability of the reactive intermediates generated on the activation of per-O-acetyl and per-O-methyl 5-thioglucopyranosyl donors and the corresponding glucopyranosyl donors. Variable temperature nuclear magnetic resonance (NMR) studies with per-O-methylated or per-O-acetyl glycosyl sulfoxides and trichloroacetimidates on activation with trifluoromethanesulfonic anhydride or trimethylsilyl triflate are reported. These show that following initial adduct formation with the promoter conversion of the 5-thioglucopyranosyl donors to the 5-thioglucopyranosyl triflates requires higher temperatures than that of the glucopyranosyl donors to the glucopyranosyl triflates. It is demonstrated that neighboring group participation is a less important phenomenon for the peracetylated thioglucosyl donors than for the peracetylated glucosyl donors. A simple thiocarbenium ion was generated by protonation of 2,3-dihydro-4H-thiopyran at low temperature and characterized by NMR spectroscopy. However, the corresponding 5-thioglucopyranosyl thenium ions were not observed in any of the NMR studies of the 5-thiopyranosyl donors: the electron-withdrawing C–O bonds around the thiopyranoside core discourage thiocarbenium ion formation, just as they discourage oxocarbenium ion formation. Density functional theory (DFT) calculations reveal the tetrahydrothiopyranyl thiocarbenium ion to be approximately 2.5 kcal/mol lower in energy than the corresponding tetrahydropyranyl oxocarbenium ion relative to the corresponding covalent triflates. However, the computations reveal a 5.8 kcal/mol activation barrier for conversion of the tetrahydrothiopyranyl triflate to the thiocarbenium ion, while formation of the oxocarbenium ion–triflate ion pair from tetrahydropyranyl triflate requires only 2.6 kcal·mol –1 . Overall, the greater axial selectivity of 5-thioglycopyranosyl donors compared to analogous glycopyranosyl donors derives from (i) the lower kinetic reactivity necessitating higher reaction temperatures, (ii) the greater stability of the thiocarbenium ion over the oxocarbenium ion facilitating equilibration under thermodynamic conditions, (iii) the greater magnitude of the anomeric effect in the 5-thiosugars, and (iv) decreased neighboring group participation in the per-esterified 5-thiosugars.

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

Optimal parameterizations for observational constraints on thawing dark energy

Time-varying dark energy is often modeled in observational analyses through generic parameterizations of its equation of state w(z), which typically use two free parameters {w 0 , w a } to span a broad range of behaviors as a function of redshift. However, this broad range of behaviors can only approximately capture the dynamics of any given microphysical theory of dark energy. A complementary approach is to use targeted parameterizations designed to model specific classes of dynamical dark energy with greater precision. Focusing on the class of thawing dark energy, we quantify and compare the precision with which nineteen generic and targeted parameterizations can capture the dynamics of physically motivated thawing quintessence theories. We find that a targeted parameterization derived from a Padé expansion of w is the most reliable of these, producing accurate reconstructions of w(z), the expansion history H(z), and cosmological parameters such as H 0 and Ω m for a broad range of microphysical theories.

dark energy experiments↗
DOE OSTI2025

Aggressively Dissipative Dark Dwarfs: The Effects of Atomic Dark Matter on the Inner Densities of Isolated Dwarf Galaxies

We present the first suite of cosmological hydrodynamical zoom-in simulations of isolated dwarf galaxies for a dark sector that consists of cold dark matter and a strongly dissipative subcomponent. The simulations are implemented in GIZMO and include standard baryons following the FIRE-2 galaxy formation physics model. The dissipative dark matter is modeled as atomic dark matter (aDM), which forms a dark hydrogen gas that cools in direct analogy to the Standard Model. Our suite includes seven different simulations of ∼10 10 M ⊙ systems that vary over the aDM microphysics and the dwarf’s evolutionary history. We identify a region of aDM parameter space where the cooling rate is aggressive and the resulting halo density profile is universal. In this regime, the aDM gas cools rapidly at high redshifts, and only a small fraction survives in the form of a central dark gas disk; the majority collapses centrally into collisionless dark “clumps,” which are clusters of subresolution dark compact objects. These dark clumps rapidly equilibrate in the inner galaxy, resulting in an approximately isothermal distribution that can be modeled with a simple fitting function. Even when only a small fraction (∼5%) of the total dark matter is strongly dissipative, the central densities of classical dwarf galaxies can be enhanced by over an order of magnitude, providing a sharp prediction for observations.

cold dark matter↗
DOE OSTI2026

An analytic approximation to the covariance between pre- and post-reconstruction galaxy two-point statistics

We present a simple analytic approximation for the covariance between pre-reconstruction galaxy power spectrum measurements and post-reconstruction two-point correlation functions. This cross-covariance is essential for joint analyses that combine full-shape clustering information with baryon acoustic oscillation (BAO) measurements, as commonly performed in modern spectroscopic surveys. Our model builds on the disconnected contribution to the covariance and accounts for the damping of correlations due to the BAO reconstruction process. We validate our analytic prescription against numerical simulations from the Dark Energy Spectroscopic Instrument (DESI), testing both idealized cubic geometries and realistic survey configurations including complex footprints and fiber assignment effects. Despite neglecting survey window functions in the analytic calculation, we find excellent agreement with simulation-based covariances and demonstrate that cosmological parameter constraints are virtually unchanged when using our approximation. Our results show that the pre-post cross-covariance is sufficiently small that even approximate treatments are adequate for cosmological inference, opening a pathway toward fully analytic covariance matrices for next-generation galaxy surveys.

baryon acoustic oscillations↗