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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Theoretical Studies of Polar Systems near Ferroelectrics Quantum Critical Points (Final Report)

The PI has studied emergent quantum phases near polar quantum critical points. A first challenge was to develop a theoretical description of the observation that many polar materials undergo classical first-order transitions while displaying quantum criticality. The possibility of novel metallic states near polar quantum critical points was then studied; identification and characterization of a non-Fermi liquid phase was made in a multiband system. In dilute quantum critical polar metals, electronic coupling to polar energy fluctuations was shown to result in attractive electron-electron interactions and to superconductivity. A spin-phonon resonance measurement in applied magnetic field was proposed to determine the magnitude of spin-orbit mediated electron-phonon coupling; furthermore in the polar phase new field-induced phonon collective modes were identified with specific signatures for experiment. In order to keep current, the PI has also worked on other types of strongly correlated problems. With experimental groups, she has developed phenomenologies to identify and explain observed dynamical critical behaviors. The PI has studied the interplay of topology, fractionalization and deconfinement in a minimalist spin model. An emergent phase transition in a 1 + 1 frustrated spin nanotube has also been identified and characterized. The PI has also begun exploring criticality out of equilibrium, characterizing rich dynamical phases associated with photoinduced polar transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Physical properties investigation of tetragonal Ba T 2 P 2 (T = Ru, Pd)

The structural, thermal, electrical transport, and magnetic properties of ternary compounds BaT 2 P 2 (T = Ru, Pd) are reported together with electronic structure calculations. Our results show that BaRu 2 P 2 crystallises in the layered tetragonal ThCr 2 Si 2 -type structure (space group I4/mmm) whereas BaPd 2 P 2 adopts the primitive tetragonal CeMg 2 Si 2 -type structure (space group P4/mmm). The combined experimental results and electronic structure calculations suggest metallic and diamagnetic ground states for both materials. Electrical transport measurements further indicate non-Fermi liquid behaviour at low temperatures. Notably, BaRu 2 P 2 exhibits an anomalous feature in the magnetic susceptibility at T ~ 260 K, similar to that observed in BaRu 2 As 2 . A comparison between the bare density of states obtained from electronic structure calculations and the experimentally estimated values suggests the presence of strong correlation effects in the material. Furthermore, the heat capacity of BaPd 2 P 2 , calculated using the full phonon dispersion relation, is in good agreement with the experimental data, particularly at low temperatures, highlighting the significant contribution of optical phonon branches to C P in this temperature range.

flat bands↗
NASA NTRS2007

Energetic Correlation Between Solar Flares and Coronal Mass Ejections

We find a strong correlation between the kinetic energies (KEs) of the coronal mass ejections (CMEs) and the radiated energies of the associated solar flares for the events that occurred during the period of intense solar activity between 18 October and 08 November 2003. CME start times, speeds, mass and KEs were taken from Gopalswamy et al. (2005), who used SOHO/LASCO observations. The GOES observations of the associated flares were analyzed to find the peak soft X-ray (SXR) flux, the radiated energy in SXRs (L(sub sxR)), and the radiated energy from the emitting plasma across all wavelengths (L(sub hot)). RHESSI observations were also used to find the energy in non-thermal electrons, ions, and the plasma thermal energy for some events. For two events, SORCE/TIM observations of the total solar irradiance during a flare were also available to give the total radiated flare energy (L(sub total)).W e find that the total flare energies of the larger events are of the same order of magnitude as the CME KE with a stronger correlation than has been found in the past for other time intervals.

Dennis, Brian R.↗
DOE OSTI2025

Effects of stoichiometry and epitaxial strain on the stabilization of infinite-layer nickelates

The discovery of superconductivity in infinite-layer nickelates has sparked great interest due to their potential analogy with the unconventional cuprate superconductors. However, investigations of this system have been limited by the challenges in materials control and synthesis driven by substantial thermodynamic instability, making it difficult to reach an experimental consensus. Hence, establishing a robust synthetic route to highly crystalline infinite-layer nickelates is of paramount importance. Here, we present and discuss recent progress on the reproducible two-step synthesis of (Nd,Sr)NiO2 via the stabilization of high-quality perovskite nickelates and the subsequent topotactic transition to the infinite-layer phase. In particular, we discuss the important factors, such as cation stoichiometry and epitaxial strain, which significantly impact the crystallinity of both phases, accompanied by careful structural characterization. These results on robust synthesis can help accelerate the experimental investigation of the intrinsic physical properties of these complex strongly correlated materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Extracting off-diagonal order from diagonal basis measurements

Quantum gas microscopy has developed into a powerful tool to explore strongly correlated quantum systems. However, discerning phases with topological or off-diagonal long range order requires the ability to extract these correlations from site-resolved measurements. Here, we show that a multiscale complexity measure can pinpoint the transition to and from the bond ordered wave phase of the one-dimensional extended Hubbard model with an off-diagonal order parameter, sandwiched between diagonal charge and spin density wave phases, using only diagonal descriptors. We study the model directly in the thermodynamic limit using the recently developed variational uniform matrix product states algorithm, and draw our samples from degenerate ground states related by global spin rotations, emulating the projective measurements that are accessible in experiments. Our results will have important implications for the study of exotic phases using optical lattice experiments. Published by the American Physical Society 2024

1-dimensional systems↗
DOE OSTI2024

Principles of two-dimensional terahertz spectroscopy of collective excitations: The case of Josephson plasmons in layered superconductors

Two-dimensional terahertz spectroscopy (2DTS), a terahertz analog of nuclear magnetic resonance, is a new technique poised to address many open questions in complex condensed matter systems. The conventional theoretical framework used ubiquitously for interpreting multidimensional spectra of discrete quantum level systems is, however, insufficient for the continua of collective excitations in strongly correlated materials. Here, in this work, we develop a theory for 2DTS of a model collective excitation, the Josephson plasma resonance in layered superconductors. Starting from a mean-field approach at temperatures well below the superconducting phase transition, we obtain expressions for the multidimensional nonlinear responses that are amenable to intuition derived from the conventional single-mode scenario. We then consider temperatures near the superconducting critical temperature T c , where dynamics beyond mean-field become important and conventional intuition fails. As fluctuations proliferate near T c , the dominant contribution to nonlinear response comes from an optical parametric drive of counterpropagating Josephson plasmons, which gives rise to 2D spectra that are qualitatively different from the mean-field predictions. As such, and in contrast to one-dimensional spectroscopy techniques, such as third harmonic generation, 2DTS can be used to directly probe thermally excited finite-momentum plasmons and their interactions. Our theory can readily be tested in cuprates, and we discuss implications beyond the present context of Josephson plasmons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Interaction-enhanced nesting in spin-fermion and Fermi-Hubbard models

The spin-fermion (SF) model postulates that the dominant coupling between low-energy fermions in near critical metals is mediated by collective spin fluctuations (paramagnons) peaked at the Néel wave vector, Q N , connecting hot spots on opposite sides of the Fermi surface. It has been argued that strong correlations at hot spots lead to a Fermi surface deformation (FSD) featuring flat regions and increased nesting. This conjecture was confirmed in the perturbative self-consistent calculations when the paramagnon propagator dependence on momentum deviation from Q N is given by χ − 1 ∝ | Δ q | . Using diagrammatic Monte Carlo (diagMC) technique we show that such a dependence holds only at temperatures orders of magnitude smaller than any other energy scale in the problem, indicating that a different mechanism may be at play. Instead, we find that a χ − 1 ∝ | Δ q | 2 dependence yields a robust finite- T scenario for achieving FSD. To link phenomenological and microscopic descriptions, we applied the connected determinant diagMC method to the ( t − t ′ ) Hubbard model and found that at large U / t > 5.5 before the formation of electron and hole pockets (i) the FSD defined as a maximum of the spectral function is not very pronounced; instead, it is the lines of zeros of the renormalized dispersion relation that deforms toward nesting, and (ii) the static spin susceptibility is well described by χ − 1 ∝ | Δ q | 2 . Flat FS regions yield a nontrivial scenario for realizing a non-Fermi liquid state. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Surface preparation method for investigating the three-dimensional electronic structure of perovskite nickelates

The investigation of the electronic structures on perovskite oxides using surface-sensitive spectroscopy techniques is often hindered by their “uncleavable” nature, typically requiring expensive and complex in situ experimental setups that integrate the capabilities of sample synthesis and spectroscopy measurement under ultrahigh vacuum condition. Here, we address this challenge by developing an ozone-annealing process that yields atomically flat surfaces on perovskite oxide thin films, making them suitable for high-resolution angle-resolved photoemission spectroscopy measurements. Using this method, we present a three-dimensional electronic structure study of Nd 1−𝑥 ⁢Sr 𝑥 ⁢NiO 3 (𝑥=0 and 0.175) thin films with unprecedented accuracy. The experimentally determined low-energy fermiology exhibits quantitative agreements with two-band tight-binding simulations, which is further validated by first-principles calculations considering the material's actual crystal structure. This work provides an accessible approach for ex situ ARPES measurements on perovskite oxides and other strongly correlated oxides, including the recently discovered high-𝑇 c nickelates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Labels as a feature: Network homophily for systematically annotating human GPCR drug-target interactions

Machine learning has revolutionized drug discovery by enabling the exploration of vast, uncharted chemical spaces essential for discovering novel patentable drugs. Despite the critical role of human G protein-coupled receptors in FDA-approved drugs, exhaustive in-distribution drug-target interaction testing across all pairs of human G protein-coupled receptors and known drugs is rare due to significant economic and technical challenges. This often leaves off-target effects unexplored, which poses a considerable risk to drug safety. In contrast to the traditional focus on out-of-distribution exploration (drug discovery), we introduce a neighborhood-to-prediction model termed Chemical Space Neural Networks that leverages network homophily and training-free graph neural networks with labels as features. We show that Chemical Space Neural Networks’ ability to make accurate predictions strongly correlates with network homophily. Thus, labels as features strongly increase a machine learning model’s capacity to enhance in-distribution prediction accuracy, which we show by integrating labeled data during inference. We validate these advancements in a high-throughput yeast biosensing system (3773 drug-target interactions, 539 compounds, 7 human G protein-coupled receptors) to discover novel drug-target interactions for FDA-approved drugs and to expand the general understanding of how to build reliable predictors to guide experimental verification.

Hansson, Frederik G↗
DOE OSTI2025

Interplay of Topography, Fire History, and Climate on Interior Alaska Boreal Forest Vegetation Dynamics in the 21st Century: A Landsat Time-Series Analysis

This study investigates vegetation dynamics in boreal forests of Interior Alaska, focusing on topography, fire history, and climate influences. The study area includes Bonanza Creek Experimental Forest (BCEF) and surrounding region, categorized by topography (upland, floodplain, lowland) and fire history. Using Mann–Kendall trend and Theil–Sen slope analyses on Landsat-derived spectral metrics: Normalized Difference Vegetation Index (NDVI) and Normalized Burn Ratio (NBR), we observed a shift from browning to greening trends, particularly in historically burned areas. The photosynthetic activity in burned upland converged with unburned areas ~30 years post-fire, coincident with a shift towards deciduous dominance during post-fire succession. Normalized Difference Moisture Index (NDMI) trends revealed a significant increase in vegetation moisture content across all topographies. We introduce Effective Seasonal Precipitation Index (ESPI), which combines prior-year annual precipitation with current-year spring snow depth. Its positive correlation with NDMI highlights its potential for monitoring vegetation moisture dynamics at the landscape scale. Furthermore, by correlating dendrochronology-based climate indices, we found strong correlation between NDMI and normalized Supplemental Precipitation Index (nSPI), across topographies. Overall, this research provides critical insights into how climate and fire influence interior boreal vegetation, highlighting the effects of increased precipitation, and topography on shaping differential vegetation responses across the landscape.

Google Earth Engine↗
NASA NTRS1982

Jovian winds from Voyager 2. Part II - Analysis of eddy transports

Previous Voyager 1 and 2 Jovian circulation measurements exhibit a large positive correlation between eddy momentum transports and the meridional shear of the zonal wind component, implying a very large rate of conversion of eddy kinetic energy of the zonal jets. Examination of the vectors mainly responsible for the correlation in our recent Voyager 2 global measurements indicates that it is probably caused by a biased sampling of prominent cloud features associated with circulating eddies. Intensive diagnostic measurements with more nearly uniform spatial sampling show no significant correlation in regions where our original measurements showed strong correlations. If the sampling bias mechanism is fully accounted for in all Jovian circulation measurements, the estimated eddy-to-mean-flow kinetic energy conversion rate may be reduced significantly.

Sromovsky, L. A.↗
NASA NTRS1986

Is OH abundance enhanced in tidally distorted galaxies?

An extensive survey of 240 galaxies for hydroxyl absorption has been completed using the Arecibo Observatory. These galaxies were used to compile a sample to test for statistical correlations between the optical depth of the 1667 MHz hydroxyl line and various parameters of the parent galaxy. To be included in the sample, the radio flux density of the galaxy at 1667 MHz had to be between 20 mjy and 1000 mjy and the galactic declination between 0 and 38 deg. Since this sample contains mainly non-detections, statistical methods for astronomical data with upper limits as previously described were used to obtain correlation and regression information. Preliminary studies indicate a strong correlation between OH optical depth and infrared to blue luminosity ratio (L sub IR/L sub B), where the infrared data were obtained from the Cataloged Galaxies and Quasars Observed in the IRAS Survey. A second correlation is seen between the optical depth of the 1667 MHz line and galactic type, where a number from 1 to 15 (Elliptical to peculiar, distorted, or interacting) has been assigned to each galaxy. So, stable, isolated galaxies tend not to have detectable hydroxyl. On the other hand, galaxies with more gas and dust, galaxies with a more peculiar or distorted appearance, and galaxies which are more tidally interacting tend to have much more detectable OH. These findings could indicate that these dusty, peculiar, distorted, and interacting galaxies could be the site of large amounts of shocked material where OH is likely to form. Hence, the hydroxyl abundance could be enhanced in these regions of shocked material making the detection of OH in these tidally distorted galaxies much more likely.

Schmelz, J. T.↗
NASA NTRS2002

A New Component of Solar Dynamics: North-South Diverging Flows Migrating toward the Equator with an 11 Year Period

Time-distance helioseismology analysis of dopplergrams provides maps of torsional oscillations and meridional flows. Meridional flow maps show a time-varying component that has a banded structure which matches the torsional oscillations with an equatorward migration over the solar cycle. The time-varying component of meridional flow consists of a flow diverging from the dominant latitude of magnetic activity. These maps are compared with other torsional oscillation maps and with magnetic flux maps, showing a strong correlation with active latitudes. These results demonstrate a strong link between the time-varying component of the meridional flow and the torsional oscillations.

Beck, J. G.↗
DOE OSTI2025

COOL-LAMPS. VII. Quantifying Strong-lens Scaling Relations with 177 Cluster-scale Strong Gravitational Lenses in DECaLS

Abstract We estimate the Einstein-radius-enclosed total mass for 177 cluster-scale strong gravitational lenses identified by the ChicagO Optically selected Lenses Located At the Margins of Public Surveys (COOL-LAMPS) collaboration with lens redshifts ranging from 0.2 ⪅ z ⪅ 1.0 using the brightest-cluster-galaxy (BCG) redshift and an observable proxy for the Einstein radius. We constrain the Einstein-radius-enclosed luminosity and stellar mass by fitting parametric spectral energy distributions to aperture photometry from the Dark Energy Camera Legacy Survey (DECaLS) in the g -, r -, and z -band Dark Energy Camera filters. We find that the BCG redshift, enclosed total mass, and enclosed luminosity are strongly correlated and well described by a planar relationship in 3D space. We find that the enclosed total mass and stellar mass are correlated with a logarithmic slope of 0.50 0 − 0.031 + 0.029 , and the enclosed total mass and stellar-to-total mass fraction are correlated with a logarithmic slope of − 0.49 5 − 0.033 + 0.032 . In tandem with the small radii within which these slopes are constrained, this may suggest invariance in baryon conversion efficiency and feedback strength as a function of cluster-centric radii in galaxy clusters. Additionally, the correlations described here should have utility in ranking strong-lensing candidates in upcoming imaging surveys—such as Rubin/Legacy Survey of Space and Time—in which an algorithmic treatment of strong lenses will be needed due to the sheer volume of data these surveys will produce.

Mork, Simon D. (ORCID:0000000255739131)↗
NASA NTRS1985

A statistical analysis of the Einstein normal galaxy sample. I - Spiral and irregular galaxies

The results of a statistical analysis of 48 spiral and irregular galaxies observed with the Einstein Observatory are reported. It is found that the X-ray luminosity is not directly correlated with the mass of the galaxies, but is strongly correlated with the blue luminosity. This suggests that most X-ray sources, including low-mass binaries, are binary systems belonging to both old disk and young arm Population I components. A real bulge population of X-ray sources exists that can contribute significantly to the X-ray luminosity of early-type spirals. The X-ray emission from a sample of 29 relatively isolated, normal elliptical and S0 galaxies is also studied, and the results are compared to those for the above sample to investigate the origin of the X-ray emission in early-type galaxies and the possible emission mechanisms. The influence of a powerful radio source and the onset of nuclear activity are also examined.

Fabbiano, G.↗
NASA NTRS1988

Observations of the 30-60 day oscillation in zonal mean atmospheric angular momentum and high cloud cover

Zonally averaged momentum and high-cloud data were analyzed for the periods of April-October 1979 and November 1982-October 1983 periods. The analysis yielded belt correlation fields implying a symmetry and propagation of momentum out of the tropics in the momentum data and an asymmetrical oscillation across the equatorial zone in the high-cloud data. The 30-60 day oscillation was found to be the dominant periodicity in tropical and subtropical belts in both the momentum and cloud fields, with variation of time spectra evident between 1979 and 1983. The lag correlations between high cloud belts and momentum belts showed strong correlations with the 30-60 day oscillation present. Anomalously high/low zonal mean high cloudiness in the tropics was accompanied by anomalously high/low zonal mean momentum in the tropics, with the latter anomalies subsequently propagating into midlatitudes.

Risbey, James S.↗
NASA NTRS1992

Theoretical study of metal ions bound to He, Ne, and Ar

Accurate ab initio calculations for all of the first-row transition-metal ions with He, Ne, and Ar were performed at the modified coupled-pair functional level of electron correlation treatment. It is concluded that there is a strong correlation between the binding energy and bond length, since the bonding is predominantly electrostatic. The calculated binding energies are found to be about 20 pct less than the experimental values due to the theoretical limitations.

Partridge, Harry↗
NASA NTRS2006

Correlated Flare and CME Energies for the October/November 2003 Events

We find a strong correlation between the kinetic energies (KEs) of the coronal mass ejections (CMEs) and the radiated energies of the associated solar flares for the events that occurred during the period of intense solar activity between 18 October and 08 November 2003. CME start times, speeds, mass, and KEs were taken from Gopalswamy et al. (2005), who used SOHO/LASCO observations. The GOES observations of the associated flares were analyzed to find the peak SXR flux, the radiated energy in SXRs (L(sub sxr)), and the radiated energy from the SXR emitting plasma across all wavelengths (L(sub hot)). RHESSI observations were also used to find the energy in non-thermal electrons, ions, and the plasma thermal energy for some events. For two events, SORCE/TIM observations of the total solar irradiance during a flare were also available to give the total radiated flare energy (L(sub total)). We find that the total flare energies of the larger events are of the same order of magnitude as the CME KE with a stronger correlation than has been found in the past for other time intervals. The following rule-of-thumb (good to an order of magnitude for the larger events} can be used to relate flare and CME energies: CME KE ~ l(sub total) ~ 10 L(sub hot) ~ 100 L(sub SXR).

Dennis, Brian R.↗