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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Orange carotenoid proteins: structural understanding of evolution and function

Cyanobacteria uniquely contain a primitive water-soluble carotenoprotein, the orange carotenoid protein (OCP). Nearly all extant cyanobacterial genomes contain genes for the OCP or its homologs, implying an evolutionary constraint for cyanobacteria to conserve its function. Genes encoding the OCP and its two constituent structural domains, the N-terminal domain, helical carotenoid proteins (HCPs), and its C-terminal domain, are found in the most basal lineages of extant cyanobacteria. These three carotenoproteins exemplify the importance of the protein for carotenoid properties, including protein dynamics, in response to environmental changes in facilitating a photoresponse and energy quenching. Furthermore, we review new structural insights for these carotenoproteins and situate the role of the protein in what is currently understood about their functions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Recombination of Autodissociated Water Ions in a Nanoscale Pure Water Droplet

The recombination of water ions has diverse scientific and practical implications, ranging from acid-base chemistry and biological systems to planetary environments and applications in fuel cell and carbon conversion technologies. While spatial confinement affects the physicochemical properties of water dynamics, its impact on the recombination process has rarely been studied. In this work, we investigate the dynamics of water, the water ion distribution, and the ion recombination process in water droplets as a function of droplet size through molecular dynamics simulations and adaptive quantum mechanical/molecular mechanical calculations. We compare the dynamics of recombination in water droplet sizes ranging from 100 to 18 000 waters, both in their interiors and on their surfaces. We found that the self-diffusion of water dramatically decreases in droplets with a diameter below 2.2 nm. Using a classical RexPoN force-field, we found that the ions in 1000 H2O's spend almost 50% of the time on the surface and 0.5 nm beneath it with a slight preference for OH- ion to reside longer on the surface. We estimate that, on average, recombination in these drops occurs at 400 ps in 1000 H2O's and 1 ns in 3000 H2O's. We also found that recombination is not limited by the local structure of the surface or the size of the droplet but can be influenced by the geometry of the water wire connecting the ions as they approach each other, which can often prevent recombination. Our results provide insights to the reaction microenvironments presented by nanoscopic water droplets.

Kwon, Soonho↗
DOE OSTI2024

Multi‐Scale Seismic Imaging of the Ridgecrest, CA, Region With Waveform Inversion of Regional and Dense Array Data

Abstract We develop an inversion procedure for deriving multi‐scale velocity models with waveform inversions of earthquake and ambient noise data at multi‐frequency bands recorded by regional and dense sensor configurations. The method is applied for the area around the 2019 Ridgecrest earthquake rupture zones, utilizing data recorded by regional stations and dense 2D and 1D arrays with station spacings of ∼5 km and ∼100 m, respectively. Starting with regional Vp, Vs models and locations of Ridgecrest aftershocks, the velocity models and event locations are improved iteratively by inversions of waveforms recorded by regional stations and the 2D array, using a minimum spectral element size of ∼600 m. Waveforms from local events recorded by dense 1D arrays across the M7.1 rupture zone with frequencies of up to 10 Hz are used to resolve small‐scale features of the rupture zone and shallow crust with a local spectral element size of 80 m. The refined models provide self‐consistent descriptions of the rupture zone and the shallow crust embedded in the regional structures. The results reveal pronounced low Vs and high Vp/Vs in the M6.4 and M7.1 rupture zones coinciding with concentrations of seismicity, and also around the Garlock fault and in several local basins. We also observe clear velocity contrasts across the Garlock fault with polarity reversals along strike and with depth. The obtained multi‐scale velocity models can be used to improve derivations of earthquake source properties, simulations of dynamic ruptures and ground motions, and the understanding of fault and tectonic processes in the region.

Geochemistry & Geophysics↗
DOE OSTI2024

AI-NERD: Elucidation of relaxation dynamics beyond equilibrium through AI-informed X-ray photon correlation spectroscopy

Abstract Understanding and interpreting dynamics of functional materials in situ is a grand challenge in physics and materials science due to the difficulty of experimentally probing materials at varied length and time scales. X-ray photon correlation spectroscopy (XPCS) is uniquely well-suited for characterizing materials dynamics over wide-ranging time scales. However, spatial and temporal heterogeneity in material behavior can make interpretation of experimental XPCS data difficult. In this work, we have developed an unsupervised deep learning (DL) framework for automated classification of relaxation dynamics from experimental data without requiring any prior physical knowledge of the system. We demonstrate how this method can be used to accelerate exploration of large datasets to identify samples of interest, and we apply this approach to directly correlate microscopic dynamics with macroscopic properties of a model system. Importantly, this DL framework is material and process agnostic, marking a concrete step towards autonomous materials discovery.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nearby stellar substructures in the Galactic halo from DESI Milky Way Survey Year 1 Data Release

We report five nearby ($d_{\mathrm{helio}} < 5$ kpc) stellar substructures in the Galactic halo from a subset of 138 661 stars in the Dark Energy Spectroscopic Instrument (DESI) Milky Way Survey Year 1 Data Release. With an unsupervised clustering algorithm, HDBSCAN*, these substructures are independently identified in Integrals of Motion ($E_{\rm tot}$, $L_{\rm z}$, $\log {J_r}$, $\log {J_z}$) space and Galactocentric cylindrical velocity space ($V_{R}$, $V_{\phi }$, $V_{z}$). We associate all identified clusters with known nearby substructures (Helmi streams, M18-Cand10/MMH-1, Sequoia, Antaeus, and ED-2) previously reported in various studies. With metallicities precisely measured by DESI, we confirm that the Helmi streams, M18-Cand10, and ED-2 are chemically distinct from local halo stars. We have characterized the chemodynamic properties of each dynamic group, including their metallicity dispersions, to associate them with their progenitor types (globular cluster or dwarf galaxy). Our approach for searching substructures with HDBSCAN* reliably detects real substructures in the Galactic halo, suggesting that applying the same method can lead to the discovery of new substructures in future DESI data. With more stars from future DESI data releases and improved astrometry from the upcoming Gaia Data Release 4, we will have a more detailed blueprint of the Galactic halo, offering a significant improvement in our understanding of the formation and evolutionary history of the Milky Way Galaxy.

dynamics↗
DOE OSTI2024

Systematic study of flow vector fluctuations in $\sqrt{S_{NN}}$ = 5.02 TeV Pb-Pb collisions

Measurements of the 𝑝 T -dependent flow vector fluctuations in Pb–Pb collisions at $\sqrt{S_{NN}}$ = 5.02 TeV using azimuthal correlations with the ALICE experiment at the Large Hadron Collider are presented. A four-particle correlation approach [ALICE Collaboration, Phys. Rev. C 107, L051901 (2023)] is used to quantify the effects of flow angle and magnitude fluctuations separately. This paper extends previous studies to additional centrality intervals and provides measurements of the 𝑝 T -dependent flow vector fluctuations at $\sqrt{S_{NN}}$ = 5.02 TeV with two-particle correlations. Significant 𝑝 T -dependent fluctuations of the $\vec{𝑉}$ 2 flow vector in Pb–Pb collisions are found across different centrality ranges, with the largest fluctuations of up to ∼15% being present in the 5% most central collisions. In parallel, no evidence of significant 𝑝 T -dependent fluctuations of $\vec{𝑉}$ 3 or $\vec{𝑉}$ 4 is found. Additionally, evidence of flow angle and magnitude fluctuations is observed with more than 5⁢𝜎 significance in central collisions. These observations in Pb–Pb collisions indicate where the classical picture of hydrodynamic modeling with a common symmetry plane breaks down. This has implications for hard probes at high 𝑝 T , which might be biased by 𝑝 T -dependent flow angle fluctuations of at least 23% in central collisions. Given the presented results, existing theoretical models should be reexamined to improve our understanding of initial conditions, quark–gluon plasma properties, and the dynamic evolution of the created system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Expansion-Driven Self-Magnetization of High-Energy-Density Plasmas

Understanding plasma self-magnetization is one of the fundamental challenges in both laboratory and astrophysical plasmas. Self-magnetization can modify plasma transport properties, altering the dynamical evolution of plasmas. Multiple high-energy-density (HED) experiments have observed the formation of ion-scale magnetic filaments of megagauss strength, though their origin remains debated. Here, in this study, we conduct 2D collisional particle-in-cell (PIC) simulations with a laser ray-tracing module for a fully self-consistent simulation of the plasma ablation, expansion, and magnetization. The simulations use a planar geometry, effectively suppressing the Biermann magnetic fields, to focus on anisotropy-driven instabilities. The laser intensity is varied between 10 13 and 10 14 W/cm 2 , which is relevant to HED and inertial fusion experiments where collisions must be considered. We find that, above a critical intensity, the plasma rapidly self-magnetizes via an expansion-driven Weibel process, producing a plasma beta of 100 (𝛽 = 8⁢𝜋⁢𝑘 𝐵 ⁢𝑛 𝑒 ⁢𝑇 𝑒 /𝐵 2 ) and Hall parameter 𝜔 ce ⁢𝜏 𝑒 >1 within the first few hundred picoseconds. The magnetic field is sufficiently strong to modify plasma heat transport, and simulations with an artificially suppressed magnetic field show noticeably different temperature profiles.

Lezhnin, K. V. [Princeton Plasma Physics Laborator↗
DOE OSTI2026

Large-scale white noise and cosmology

The generation of white noise on large scales is a generic property of the dynamics of physical systems described by local nonlinear partial differential equations. Nonlinearities prevent the small-scale dynamics from being erased by smoothing. Unresolved small-scale dynamics act as an uncorrelated (white or Poissonian) noise (seemingly stochastic but actually deterministic) contribution to large-scale dynamics. This white noise exists even when the dynamics is very nearly linear. In cases where the power spectrum is sub-Poissonian on large scales, this noise will dominate on the largest scale power no matter the amplitude of the inhomogeneities. Such is the case in the standard model of cosmology, where the primordial density power spectrum is expected to have an almost Harrison-Zel’dovich, P [ k ] ∼ k , spectrum on a much broader range of scales than can be observed. Even though linear gravitational evolution dominates nonlinear corrections by a factor of ∼ 10 5 , the nonobservation of white noise on the Hubble scale precludes the extrapolation of this power law below the comoving 1 pc scale. More generally, observation or nonobservation of large-scale white noise provides a powerful probe of the Universe on very small scales in the early Universe. Gravitational radiation, phase transitions, vorticity, and running of the spectral index are all phenomena that can be probed with large-scale white noise. Large-scale white noise is a nonoptional feature of all cosmological models but one which has not heretofore been appreciated.

Barenboim, Gabriela [Valencia U., IFIC; Valencia U↗
DOE OSTI2025

Enhanced domain dynamics in alternating current poled rhombohedral Pb(Mg 1/3 Nb 2/3 )O 3 –PbTiO 3 single crystals

Abstract The understanding of domain dynamics in ferroelectric materials is crucial for optimizing their performance in piezoelectric and electro‐optic applications. Although previous studies have focused on static domain structures and macroscopic characteristics, the time‐resolved approach of domains remains largely unexplored. In this study, we compare the dynamic responses of direct current (DC) and alternating current (AC) poled [001]‐oriented rhombohedral Pb(Mg 1/3 Nb 2/3 )O 3 –PbTiO 3 (PMN–PT) single crystals using X‐ray photon correlation spectroscopy (XPCS) during the application of external electric fields. Our results demonstrate that the AC‐poled sample exhibit enhanced reconfiguration of domain variants in response to driving fields compared to the DC‐poled counterpart, as evidenced by accelerated correlation decay and faster relaxation time. This phenomenon is attributed to enhanced reversible domain wall motion achieved through AC poling, which facilitates field‐induced domain realignment. These findings provide insight into the relationship between dynamics and macroscopic properties in relaxor‐PT single crystals for high‐performance applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Seismic Tomography 2024

Seismic tomography is the most abundant source of information about the internal structure of the Earth at scales ranging from a few meters to thousands of kilometers. It constrains the properties of active volcanoes, earthquake fault zones, deep reservoirs and storage sites, glaciers and ice sheets, or the entire globe. It contributes to outstanding societal problems related to natural hazards, resource exploration, underground storage, and many more. The recent advances in seismic tomography are being translated to nondestructive testing, medical ultrasound, and helioseismology. Nearly 50 yr after its first successful applications, this article offers a snapshot of modern seismic tomography. Focused on major challenges and particularly promising research directions, it is intended to guide both Earth science professionals and early-career scientists. The individual contributions by the coauthors provide diverse perspectives on topics that may at first seem disconnected but are closely tied together by a few coherent threads: multiparameter inversion for properties related to dynamic processes, data quality, and geographic coverage, uncertainty quantification that is useful for geologic interpretation, new formulations of tomographic inverse problems that address concrete geologic questions more directly, and the presentation and quantitative comparison of tomographic models. Finally, it remains to be seen which of these problems will be considered solved, solved to some extent, or practically unsolvable over the next decade.

58 GEOSCIENCES↗
DOE OSTI2026

Atmospheric System Research Workshop Report: New Directions in Atmospheric Ice Processes Research

Atmospheric ice processes are critical for precipitation production, cloud dynamics, and radiative properties and contribute to uncertainties in Earth’s energy budget and hydrological cycle, yet they remain poorly understood. To address this, ASR convened a 2.5-day workshop with 28 experts in laboratory measurements, field observations, and cloud modeling. The primary goal was to identify key knowledge gaps and prioritize future directions in atmospheric ice processes research. The outcomes of this workshop are expected to inform ASR and prompt improvements in cloud and Earth system models (ESMs) by advancing the fundamental understanding of ice processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Using Hydrodynamic Similarity as a Verification Method for Impact Cratering Simulations in the FLAG Hydrocode

Hydrodynamic codes (hydrocodes) are common tools for modeling hypervelocity impacts to provide insight into the physical phenomenon. Hydrocodes can simulate impacts from micrometer to kilometer spatial scales and reach impact velocities difficult to achieve in experimental settings. However, numerical models are approximations, and demonstrating that a numerical method is capable of providing physical results for these models is essential. In this work, we employ a hydrocode verification technique that leverages hydrodynamic similarity, a mathematical property of the conservation equations of fluid mechanics that form the basis for hydrocode models. Using the FLAG hydrocode, we simulate aluminum (Al) and basalt projectiles and targets at spatial scales spanning 7 orders of magnitude (hundreds of micrometers to kilometers). These materials were chosen because Al-6061 is a common material in spacecraft and satellites and basalt is a useful approximation of rocky astronomical bodies. Our results show that hydrodynamic similarity holds for each material model used and across spatial scales. We show that under certain conditions hydrodynamic similarity can apply in the presence of gravity and that similarity does not hold in the presence of strength models. We conclude that the FLAG hydrocode preserves important mathematical properties of fluid dynamics in hypervelocity impacts of Al-6061 and basalt.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

EPCAPE Quick-look Plots

Daily summary and comparison plots for the ARM and guest instruments deployed from February 15, 2023 to February 14, 2024 at Mt. Soledad and Scripps Pier as part of the Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE). The atmospheric observations include aerosol, cloud, thermodynamic, dynamic, and radiative properties organized to provide inter-instrument and inter-site comparisons for each sampling day. The plots are available at the following link: https://wordpress.cels.anl.gov/clouds/epcape-plots/

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Rheological Properties of Enzymatically Hydrolyzed Corn Stover Pretreated via Deacetylation and Mechanical Refining

Lignocellulosic biomass is a feedstock for fuels and chemicals that does not compete with food resources and has less contaminants than refuse-derived biomass feedstocks. To convert lignocellulosics to biofuels or value-added products, multiple processing steps are typically necessary. One method of producing biofuels from lignocellulosic biomass utilizes a deacetylation and mechanical refining pretreatment and an enzymatic hydrolysis reaction to produce fermentable sugars from cellulose and hemicellulose. The rheological properties of biomass, such as yield stress and plastic viscosity, change during enzymatic hydrolysis and alter the energy requirements for pumping and mixing, an important consideration for the design of processing equipment. The dynamic changes in rheological properties that occur in a corn stover feedstock undergoing enzymatic hydrolysis are characterized in this work, and the influence on pressure losses in piping systems is estimated. Two rheometer geometries were fabricated with stereolithography 3D printing to reduce wall slip and sample ejection. The slurries have complex rheological behaviors that include shear-thinning behavior. Shear stress ramps were performed on samples at 20 and 50 degrees C using the custom geometries, and the Herschel-Bulkley model was fit to the data. The dynamic nature of the rheological properties is correlated with changes in the average fiber length at various extents of reaction, and the influence of solids concentration on the observed rheology and piping pressure losses is discussed.

09 BIOMASS FUELS↗
DOE OSTI2026

Spatio-temporal dynamics of Hendra virus in Australia reveal stable maintenance of diverse viral clades among Pteropus bats

Hendra virus (HeV) was discovered in 1994 in Australia. Limited genomic data have hindered comprehensive understanding of HeV’s evolutionary dynamics. Here, in this work, we recovered 48 HeV genomes from bats and 9 from horses from Australia between 2016 and 2020, revealing four distinct clades. Each clade was distributed over a large spatial area with multiple clades co-circulating within a single bat roost on the same day and over consecutive years. The diversity and temporal stability of co-circulating clades suggest that viral dynamics are driven by episodic shedding of existing lineages maintained at the population level, rather than immune-driven strain-replacement dynamics. HeV isolates of different clades displayed variation in phenotypic properties but minimal antigenic differences. We provide an overview of evolutionary dynamics, phenotypic properties and assessment of countermeasures for HeV, and provide insights into the processes that maintain virus diversity in bats and influence the potential for viral emergence.

genetic variation↗
DOE OSTI2025

Viscosity-Controlled Thiol–Ene Reaction and Its Impact on Mechanical Response of Dynamic Networks

The impact of curing conditions on the final properties of thioester-thiol-based dynamic polymer networks was systematically investigated. Despite identical monomer and cross-linker compositions, networks synthesized in the absence of solvent exhibited significantly higher shear moduli and longer relaxation times compared to those cured in solvent. These differences arise from viscosity-controlled photoinitiated thiol–ene reactions, where reduced chain mobility under solvent-free conditions suppresses termination between two polymer radicals, leading to higher reaction conversion. Fourier Transform Infrared (FTIR) spectroscopy and solid-state NMR (ssNMR) spectroscopy confirmed a greater degree of “click” reaction completion in higher viscosity environments. Control experiments revealed that prolonged radical lifetimes and suppressed termination reactions under solvent-free curing conditions contribute to these variations. Here, this study highlights the crucial role of processing conditions in determining cross-link density and, consequently, the dynamic mechanical behavior of polymer networks. It demonstrates that, beyond polymer chemistry, dynamic cross-linker design, and phase separation, curing conditions serve as a key design parameter for tailoring material performance to specific applications.

polymers↗
DOE OSTI2025

Theory of x-ray photon correlation spectroscopy for multiscale flows

Complex multiscale flows associated with instabilities and turbulence are commonly induced under high-energy density (HED) conditions, but accurate measurement of their transport properties has been challenging. X-ray photon correlation spectroscopy (XPCS) with coherent x-ray sources can, in principle, probe material dynamics to infer transport properties using time autocorrelation of density fluctuations. Here we develop a theoretical framework for utilizing XPCS to study material diffusivity in multiscale flows. We extend single-scale shear flow theories to broadband flows using a multiscale analysis that captures shear and diffusion dynamics. Our theory is validated with simulated XPCS for Brownian particles advected in multiscale flows. We demonstrate the versatility of the method over several orders of magnitude in timescale using sequential-pulse XPCS, single-pulse x-ray speckle visibility spectroscopy (XSVS), and double-pulse XSVS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗