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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 OSTI2026

Anomalous Spin‐Optical Helical Effect in Ti‐Based Kagome Metal

The kagome lattice stands as a rich platform for hosting a wide array of correlated quantum phenomena, ranging from charge density waves and superconductivity to electron nematicity and loop current states. Direct detection of loop currents in kagome systems has remained a formidable challenge due to their intricate spatial arrangements and the weak magnetic field signatures they produce, and this has made their identification experimentally subtle. This has left their existence and underlying mechanisms a topic of intense debate. In this work, we uncover signatures compatible with loop currents: spin handedness-selective signals that surpass conventional dichroic, spin, and spin-dichroic responses. We observe this phenomenon in the kagome metal CsTi 3 ⁢Bi 5 and we call it the anomalous spin-optical helical effect. This effect arises from the coupling of light's helicity with spin-orbital electron correlations, thereby providing an indirect yet sensitive approach to probe loop-current–related electronic correlations in quantum materials. Our discovery not only enriches the debate surrounding loop currents but also offers new experimental strategies to exploit the electronic phases of quantum materials via light–matter interaction.

anomalous spin-optical helical effect↗
DOE OSTI2022

Muonic force behind flavor anomalies

We develop an economical theoretical framework for combined explanations of the flavor physics anomalies involving muons: (g - 2) μ , R K(*), and b → sμ + μ - angular distributions and branching ratios, that was first initiated by some of us in ref. [1]. The Standard Model (SM) is supplemented with a lepton-flavored U(1) X gauge group. The U(1) X gauge boson with the mass of O(0.1) GeV resolves the (g - 2) μ tension. A TeV-scale leptoquark, charged under the U(1) X , carries a muon number and mediates B-decays without prompting charged lepton flavor violation or inducing proton decay. We explore the theory space of the chiral, anomaly-free U(1) X gauge extensions featuring the above scenario, and identify many suitable charge assignments for the SM+3ν R fermion content with the integer charges in the range X F i $\in$ [-10, 10]. We then carry out a comprehensive phenomenological study of the muonic force in representative benchmark models. Interestingly, we found models which can resolve the tension without conflicting the complementary constraints, and all of the viable parameter space will be tested in future muonic resonance searches. Finally, the catalog of the anomaly-free lepton-non-universal charge assignments motivated us to explore different directions in model building. We present a model in which the muon mass and the (g - 2) μ are generated radiatively from a common short-distance dynamics after the U(1) X breaking. We also show how to charge a vector leptoquark under U(1) μ-τ in a complete gauge model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Green’s Function Perspective on the Nonlinear Density Response of Quantum Many-Body Systems

We derive equations of motion for higher order density response functions using the theory of thermodynamic Green’s functions. We also derive expressions for the higher order generalized dielectric functions and polarization functions. Moreover, we relate higher order response functions and higher order collision integrals within the Martin–Schwinger hierarchy. We expect our results to be highly relevant to the study of a variety of quantum many-body systems such as matter under extreme temperatures, densities, and pressures.

Density Functional Theory↗
DOE OSTI2021

InteraChem: Virtual Reality Visualizer for Reactive Interactive Molecular Dynamics

Interactive molecular dynamics in virtual reality (IMD-VR) simulations provide a digital molecular playground for students as an alternative or complement to traditional molecular modeling kits or 2D illustrations. Previous IMD-VR studies have used molecular mechanics to enable simulations of macromolecules such as proteins and nanostructures for the classroom setting with considerable success. Here, we present the InteraChem molecular visualizer, intended for reactive IMD-VR simulation using semiempirical and ab initio methods. InteraChem visualizes not only the molecular geometry but also (1) isosurfaces such as molecular orbitals and electrostatic potentials and (2) two-dimensional graphs of time-varying simulation quantities such as kinetic/potential energy, internal coordinates, and user-applied force. Additionally, InteraChem employs speech recognition to facilitate user interaction and introduces a novel “atom happiness” visualization using emojis to indicate the energetic feasibility of a particular bonding arrangement. Furthermore, we include a set of accompanying exercises that we have used to teach chemical reactivity in small molecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Towards AI-assisted neutrino flavor theory design

Particle physics theories, such as those which explain neutrino flavor mixing, arise from a vast landscape of model-building possibilities. A model’s construction typically relies on the intuition of theorists. It also requires considerable effort to identify appropriate symmetry groups, assign field representations, and extract predictions for comparison with experimental data. We develop Autonomous Model Builder (AMBer), a framework in which a reinforcement learning agent interacts with a streamlined physics software pipeline to search these spaces efficiently. AMBer selects symmetry groups, particle content, and group representation assignments to construct models while minimizing the number of free parameters introduced. We validate our approach in well-studied regions of theory space and extend the exploration to a previously unexamined symmetry group. While demonstrated in the context of neutrino flavor theories, this approach of reinforcement learning with physics software feedback may be extended to other theoretical model-building problems in the future.

Baretz, Jason Benjamin↗
DOE OSTI2026

Superdiffusion resilience in Heisenberg chains with two-dimensional interactions on a quantum processor

Superdiffusive spin transport in the one-dimensional (1D) Heisenberg model is a key theoretical discovery in nonequilibrium quantum many-body physics. Although extensively studied in 1D systems, the breakdown and sustenance of superdiffusion in two-dimensional (2D) lattices with integrability-breaking terms, as found in real materials, remains an open question. To address this, we develop a toy model that extends the 1D Heisenberg model with a representative set of 2D interaction types and tunable strengths. Our model exhibits varying degrees of superdiffusion breakdown depending on the interaction type, spanning ballistic to diffusive regimes. We establish and justify a hierarchy of 2D interactions based on their resilience against superdiffusion breakdown: Heisenberg >𝑋⁢𝑋 > Ising. This precise control over the superdiffusive behavior also enables rigorous benchmarking of quantum hardware, and our simulations on IBM's Heron devices confirm the hardware's ability to accurately capture these many-body nonequilibrium phenomena. Overall, our results are relevant not only to simulating superdiffusion in real materials, such as the 1D Heisenberg compound KCuF3, which contains modest nonintegrable 2D terms, but also to extending superdiffusive behavior to larger 2D qubit lattices and other 2D materials.

Alagarsamy Manikandan, Keerthi Kumaran [ORNL]↗
DOE OSTI2024

Electromagnetic and two-photon transition form factors of the pseudoscalar mesons: An algebraic model computation

We compute electromagnetic and two-photon transition form factors of ground-state pseudoscalar mesons: π , K , η c , η b . To this end, we employ an algebraic model based upon the coupled formalism of Schwinger-Dyson and Bethe-Salpeter equations. Within this approach, the dressed quark propagator and the relevant Bethe-Salpeter amplitude encode the internal structure of the corresponding meson. Electromagnetic properties of the meson are probed via the quark-photon interaction. The algebraic model employed by us unifies the treatment of all ground-state pseudoscalar mesons. Its parameters are carefully fitted performing a global analysis of existing experimental data including the knowledge of the charge radii of the mesons studied. We then compute and predict electromagnetic and two-photon transition form factors for a wide range of probing photon momentum-squared which is of direct relevance to the experimental observations carried out thus far or planned at different hadron physics facilities such as the Thomas Jefferson National Accelerator Facility (JLab) and the forthcoming Electron-Ion Collider. We also present comparisons with other theoretical models and approaches and lattice quantum chromodynamics. Published by the American Physical Society 2024

Higuera-Angulo, I. M. (ORCID:0000000256008875)↗
DOE OSTI2024

Scalar and Tensor Charmonium Resonances in Coupled-Channel Scattering from Lattice QCD

We determine J P C = 0 + + and 2 + + hadron-hadron scattering amplitudes in the charmonium energy region up to 4100 MeV using lattice QCD, a first-principles approach to QCD. Working at m π ≈ 391 MeV , more than 200 finite-volume energy levels are computed and these are used in extensions of the Lüscher formalism to determine infinite-volume coupled-channel scattering amplitudes. We find that this energy region contains a single χ c 0 and a single χ c 2 resonance. Both are found as pole singularities on the closest unphysical Riemann sheet, just below 4000 MeV with widths around 70 MeV. The largest couplings are to kinematically closed D * D ¯ * channels in S -wave, and couplings to several decay channels consisting of pairs of open-charm mesons are found to be large and significant in both cases. Above the ground state χ c 0 , no other scalar bound states or near- D D ¯ threshold resonances are found, in contrast to several theoretical and experimental studies. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Science-informed Machine Learning to Increase Recovery Efficiency in Unconventional Reservoirs

Production of hydrocarbons from fractured, unconventional reservoirs is inherently inefficient. But machine learning offers a pathway both to increasing recovery efficiency at a site and to improving forecasts of production, thereby improving the economics of operations in unconventional reservoirs. Los Alamos—in partnership with DOE, NETL, and WVU—has been developing a science-informed workflow and platform for optimizing pressure-drawdown at a site, which will allow an operator to make reservoir-management decisions that optimize recovery in consideration of future production. This work relies on a hybridization of physics-based prediction and machine learning, whereby accurate synthetic data (in combination with available site data) can enable the application of machine learning methods for rapid forecasting and optimization. The physics-based prediction is built upon experimental and theoretical work to determine transport characteristics in shale at various scales, with an emphasis on materials from MSEEL-I; this fundamental shale R&D was conducted in partnership with DOE, NETL, and several other national labs. This work has resulted from a coordinated leveraging of developments across several projects within DOE FE30, along with internal investments from Los Alamos via LDRD. The development has utilized data from the MSEEL–I site for calibration and demonstration; however, the workflow and platform are readily extendable to operations at other sites, plays, and basins. This machine-learning method can aid operators to improve both recovery efficiency and competitiveness; to this end, future work would quantify processes for other plays/basins and integrate production details with economics.

04 OIL SHALES AND TAR SANDS↗
NASA NTRS1982

Ultraviolet spectroscopy of the nova-like variable V3885 Sagittarii /= CD -42 deg 14462/

Low-dispersion long and short wavelength IUE spectra of the nova-like system V3885 Sgr were obtained on 1979 August 24 UT. The UV spectrum exhibits strong, high-temperature absorption lines of C III, C IV, He II, N IV, N V, and Si IV which all have relatively large negative velocities of 600-1000 km/s at their line centers. The C IV (1550 A) features shows a P Cygni-type profile with a blueshifted absorption line; the presence of the P Cygni-type feature strongly suggests a significant mass outflow from the system in the form of a hot stellar wind. The observed continuum fluxes are fitted with theoretical accretion disk model fluxes, and a tentative physical interpretation of the observed spectral properties is presented.

Guinan, E. F.↗
NASA NTRS1983

Studies in electron phenomena in MOS structures: The pulsed C-V method

The pulse hysteresis capacitance voltage (C-V) provides a straight forward technique for measuring the change of various charges in MOS structures and a tool for investigating the kinetics of various electron phenomena is developed and described. The method can be used for measuring the energy distribution and kinetics of surface states with the resolution of about 1/5 x 10 to the -9 power cm eV. Some transients in an MOS structure, particularly, the thermal generation of minority charge carriers via surface states and the relaxation of minority charge carriers supplied from the inversion layer outside the MOS structure are theoretically investigated. Analytical expressions which clearly present the physics of those electron phenomena are derived.

Kaplan, G.↗
NASA NTRS1984

Observational evidence for chromospheric footpoint penetration of nonthermal electrons during two well-observed flares

Recent advances have enabled simultaneous H-alpha and X-ray observations with substantially improved spatial, spectral, and temporal resolution. In this paper a study is conducted of two events observed as part of a coordinated observing program between the Solar Maximum Mission and Sacramento Peak Observatory: the flares of 1456 UT, 7 May 1980 and 1522 UT, 24 June 1980. Using recently developed physical models of static flare chromospheres, and corresponding theoretical H-alpha line profiles, effects of intense nonthermal electron heating can be distinguished from those of high conduction and pressure from the overlying flare corona. Both flares show the signature of intense chromospheric heating by fast electrons, temporally correlated with X-ray light curves at E greater than 27keV, and spatially associated with X-ray emission sites at E greater than 16 keV. Interpreting the H-alpha line profile observations using the theoretical H-alpha line profiles, values of the thick-target input power contained in nonthermal electrons that are observationally indistinguishable (within a factor of 2-3) from those inferred from the X-ray data are inferred. Although these events are small, the energy flux values are large: of order 10 to the 11th ergs per sq cm per s above 20 keV.

Canfield, R. C.↗
NASA NTRS1985

Vacuum ultraviolet studies of electron impact of helium Excitation of He n1P0 Rydberg series and ionization-excitation of He(+) nl Rydberg series

The cross sections for the He I 1s2 1S-1snp 1P0 series have been measured using a relative flow method, with the absolute scale fixed by the H Ly-alpha dissociative excitation cross section standard. The results are compared with those obtained using a relative cross section data analysis by modified Born approximation, and good agreement is found. Cross sections for the ionization-excitation of the He II 121.51 nm and He II 164.04 nm transmissions have been measured, and the results strongly suggest that theoretical calculations of the reactions differ fundamentally from physical reality. The failure of the theory to describe experimental results stems from the neglect in the theory of electron correlation effects between the two orbital electrons.

Shemansky, D. E.↗
NASA NTRS1988

The stellar wind velocity function for red supergiants determined in eclipsing binaries

The potential for direct measurement of the acceleration of stellar winds from the supergiant component of Zeta Aurigae-type binary stars is discussed. The aberration angle of the interaction shock cone centered on the hot star provides a measure of the velocity of the cool star wind at the orbit of the secondary. This is confirmed by direct observations of stellar wind (P Cygni) line profile variations. This velocity is generally smaller than the final (terminal) velocity of the wind, deduced from the P Cygni line profiles. The contrast between these results and previously published supergiant wind models is discussed. The implication on the physics of energy source dissipation predicted in the theoretical models is considered.

Ahmad, Imad A.↗
NASA NTRS1990

FIRE Cirrus on October 28, 1986: LANDSAT; ER-2; King Air; theory

A simultaneous examination was conducted of cirrus clouds in the FIRE Cirrus IFO-I on 10/28/86 using a multitude of remote sensing and in-situ measurements. The focus is cirrus cloud radiative properties and their relationship to cloud microphysics. A key element is the comparison of radiative transfer model calculations and varying measured cirrus radiative properties (emissivity, reflectance vs. wavelength, reflectance vs. viewing angle). As the number of simultaneously measured cloud radiative properties and physical properties increases, more sharply focused tests of theoretical models are possible.

Wielicki, Bruce A.↗
NASA NTRS1990

Distribution of gas in the inner comae of comets

In order to understand the physical and chemical processes which produce the observed spatial morphology of the cometary coma, it is necessary to analyze observational data with physically meaningful models. Thus, a coupled program of theoretical modeling and complementary observational data analysis was undertaken regarding the spatial distributions of neutral gases in the coma. More, specifically, the particular topics of interest are: (1) the theoretical modeling of the nonequilibrium dynamics of the inner coma with emphasis on the region of the coma from the transition from collisional fluid flow out to the free-flow region and on observable conditions in the coma (i.e., density, outflow speed, and temperature); and (2) the model analysis of an important set of long-slit CCD spectra of comets. The side-by-side development of models along with the observation and analysis of data is an important and integral part of this project. The scientific community has in hand valuable observational and in situ data regarding one comet, Halley. It is important to use Halley as the benchmark by which other remotely observed comet data can be understood. Therefore, the self-consistant analysis of data with appropriate models is of the utmost importance. The data analysis work includes the analysis of the spatial profiles of (OI), NH2, CN, and C2.

Combi, Michael↗
NASA NTRS1990

VLA neutral hydrogen imaging of compact groups

Images of the neutral hydrogen (H I) in the direction of the compact groups of galaxies, HCG 31, HCG 44, and HCG 79 are presented. The authors find in HCG 31 and HCG 79, emission contained within a cloud much larger than the galaxies as well as the entire group. The H I emission associated with HCG 44 is located within the individual galaxies but shows definite signs of tidal interactions. The authors imaged the distribution and kinematics of neutral hydrogen at the two extremes of group sizes represented in Hickson's sample. HCG 44 is at the upper limit while HCG 18, HCG 31, and HCG 79 are at the lower end. Although the number of groups that have been imaged is still very small, there may be a pattern emerging which describes the H I morphology of compact groups. The true nature of compact groups has been the subject of considerable debate and controversy. The most recent observational and theoretical evidence strongly suggests that compact groups are physically dense, dynamical systems that are in the process of merging into a single object (Williams and Rood 1987, Hickson and Rood 1988, Barnes 1989). The neutral hydrogen deficiency observed by Williams and Rood (1987) is consistent with a model in which frequent galactic collisions and interactions have heated some of the gas during the short lifetime of the group. The H I disks which are normally more extended than the luminous ones are expected to be more sensitive to collisions and to trace the galaxy's response to recent interactions. Very Large Array observations can provide in most cases the spatial resolution needed to confirm the dynamical interactions in these systems.

Williams, B. A.↗