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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Generation and detection of 50 GHz surface acoustic waves by extreme ultraviolet pulses

In this work, we use femtosecond extreme ultraviolet pulses derived from a free electron laser to excite and probe surface acoustic waves (SAWs) on the (001) surface of single crystal SrTiO 3 . SAWs are generated by a pair of 39.9 nm pulses crossed at the sample with the crossing angle defining the SAW wavelength at 84 nm. Detection of SAWs is performed via diffraction of a time-delayed 13.3 nm probe pulse by SAW-induced surface ripples. Despite the low reflectivity of the sample in the extreme ultraviolet range, the reflection mode detection is found to be efficient because of an increase in the diffraction efficiency for shorter wavelengths. We describe a methodology for extracting the SAW attenuation in the presence of a thermal grating, which is based on measuring the decay of oscillations at twice the SAW frequency. The proposed approach can be used to study ultrahigh frequency SAWs in a broad range of materials and will bridge the wave vector gap in surface phonon spectroscopy between Brillouin scattering and He atom scattering.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Development of pebble-based extruded carbon rods for extreme plasma heat flux environments

This work presents first experiments toward the development of continuously renewable (extrudable) pebble-based carbon rods for use as plasma-facing components in extreme steady-state plasma flux environments. The primary envisioned application of this work is a first wall that can survive long-term in future magnetic fusion power reactors while also improving recovery of the reactor fuel (tritium and deuterium atoms). Bench tests applying extreme steady-state front-surface heat loads of up to 50 MW/m 2 are presented. Continuous pebble rod front-surface recession and intact pebble recovery are successfully demonstrated, at a rate of order 0.2 cm/s. Numerical simulations of the pebble rod front-surface recession are able to match observations reasonably well, indicating that the recession mechanism can be understood as occurring due to pebble thermal expansion and resulting shock and cracking of the inter-pebble binder. Tests of the pebble rod extrusion demonstrate that friction between the rods and the stainless-steel extrusion channel is tolerably low (<50 N for the expected channel length) over a wide range of temperatures. Front-surface outgassing rates below 1000 Torr L/s/m 2 are achieved, believed to be sufficiently low for use in magnetic fusion reactors. In conclusion, initial parametric scans over pebble rod size and binder fraction to vary front-surface recession rates are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The reactive flow evolution of the polymer-bonded explosive PBX 9502: Experiments and model validation in extreme pressure regimes

The shock-to-detonation transition properties of the triaminotrinitrobenzene based PBX 9502 high explosive (HE) are experimentally and computationally explored in extremely high input pressure conditions. These include both slightly sub-Chapman–Jouguet and overdriven input pressure conditions, namely, ∼25 and ∼31 GPa, respectively. Our experiments capture the transient buildup of a shock-induced reaction via measurement of HE and polymethyl methacrylate window interface particle velocity profiles for a variety of sample thicknesses for this insensitive HE. These observations necessitate extremely thin explosive samples, and the high rates of reaction provide a considerable challenge to optical diagnostics. Samples at these thicknesses also provide an opportunity for evaluation of potential micro-structure effects on the resulting shock-to-detonation-transition measurements. To address this, the thin samples are also characterized via x-ray micro-computed tomography. Finally, a pair of previously established continuum-level detonation performance modeling approaches for PBX 9502 were used to analyze the experiments. The employed model variants crucially differ in their definition of each model’s empirical reaction rate functional form, utilization of shock state quantities, and local flow variable dependencies. As a result, the present experiments provide a novel platform to evaluate the quantitative and qualitative consequences stemming from these modeling choices in a challenging initiation scenario, largely beyond the chosen calibration range of either model. This new experimental information will provide a platform for both improved physics and model parameterizations for this well-studied explosive.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Increase in the effective viscosity of polyethylene under extreme nanoconfinement

Understanding polymer transport in nanopores is crucial for optimizing heterogeneously catalyzed processes in polymer upcycling and fabricating high-performance nanocomposite films and membranes. Although confined polymer dynamics have been extensively studied, the behavior of polyethylene (PE)—the most widely used commodity polymer—in pores smaller than 20 nm remains largely unexplored. We investigate the effects of extreme nanoconfinement on PE transport using capillary rise infiltration in silica nanoparticle packings with average pore radii ranging from ~1 to ~9 nm. Using in situ ellipsometry and the Lucas–Washburn model, we discover a previously unknown inverse relationship between effective viscosity (η eff ) and average pore radius (R pore ). Additonally, we determine that PE transport under these extreme conditions is primarily governed by physical confinement, rather than pore surface chemistry. We refine an existing theory to provide a generalized formalism to describe the polymer transport dynamics over a wide range of pore radii (from 1 nm and larger). Our results offer valuable insights for optimizing catalyst supports in polymer upcycling and improving infiltration processes for nanocomposite fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Accuracy, transferability, and computational efficiency of interatomic potentials for simulations of carbon under extreme conditions

Large-scale atomistic molecular dynamics (MD) simulations provide an exceptional opportunity to advance the fundamental understanding of carbon under extreme conditions of high pressures and temperatures. However, the fidelity of these simulations depends heavily on the accuracy of classical interatomic potentials governing the dynamics of many-atom systems. Here, this study critically assesses several popular empirical potentials for carbon, as well as machine learning interatomic potentials (MLIPs), in their ability to simulate a range of physical properties at high pressures and temperatures, including the diamond equation of state, its melting line, shock Hugoniot, uniaxial compressions, and the structure of liquid carbon. Empirical potentials fail to accurately predict the behavior of carbon under high pressure–temperature conditions. In contrast, MLIPs demonstrate quantum accuracy, with Spectral Neighbor Analysis Potential (SNAP) and atomic cluster expansion (ACE) being the most accurate in reproducing the density functional theory results. ACE displays remarkable transferability despite not being specifically trained for extreme conditions. Furthermore, ACE and SNAP exhibit superior computational performance on graphics processing unit-based systems in billion atom MD simulations, with SNAP emerging as the fastest. In addition to offering practical guidance in selecting an interatomic potential with a fine balance of accuracy, transferability, and computational efficiency, this work also highlights transformative opportunities for groundbreaking scientific discoveries facilitated by quantum-accurate MD simulations with MLIPs on emerging exascale supercomputers.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Accurate and efficient parameterization of an atomic cluster expansion (ACE) potential for ammonia under extreme conditions

We present a machine learning interatomic potential for ammonia designed to capture its complex multiphase behavior, including both molecular and superionic phases. The potential is based on the atomic cluster expansion (ACE) formulation and has been parameterized to facilitate high-fidelity molecular dynamics simulations of ammonia under extreme conditions, for pressures up to 100 GPa and for temperatures above 500 K and up to 6000 K. A diverse range of configurations was generated through high-quality ab initio molecular dynamics simulations, covering insulating and superionic ice phases, liquid ammonia, molecular nitrogen (N 2 ) and hydrogen (H 2 ), and metastable compounds that form upon dissociation, including $NH^{+}_{4}$, $H^{+}_{3}$, N 2 H 4 , and N 3 H. We demonstrate that the ammonia ACE potential accurately reproduces experimental and density functional theory predicted isotherms and Hugoniots. Crucially, the potential is able to capture the intricate phase behavior of ammonia, including the transition from insulating molecular fluid to the superionic phase. This work provides a robust interatomic potential that can be used for large-scale, accurate simulations of ammonia under extreme thermodynamic conditions, offering a powerful tool for investigating its behavior in various phases and applications.

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

Unsupervised discovery of extreme weather events using universal representations of emergent organization

Spontaneous self-organization is ubiquitous in systems far from thermodynamic equilibrium. While organized structures that emerge dominate transport properties, universal representations that identify and describe these key objects remain elusive. Here, we introduce a theoretically grounded framework for describing emergent organization that, via data-driven algorithms, is constructive in practice. Its building blocks are spacetime lightcones that embody how information propagates across a system through local interactions. We show that predictive equivalence classes of lightcones—local causal states—capture organized behaviors in complex spatiotemporal systems. Employing an unsupervised physics-informed machine learning algorithm and a high-performance computing implementation, we demonstrate automatically discovering organized structures in two real-world domain science problems. We show that local causal states identify vortices and track their power-law decay behavior in two-dimensional fluid turbulence. We then show how to detect and track familiar extreme weather events—hurricanes and atmospheric rivers—and discover other novel structures associated with precipitation extremes in high-resolution climate data at the grid-cell level.

Rupe, Adam [Pacific Northwest National Laboratory ↗
DOE OSTI2025

An atomic cluster expansion (ACE) potential for water under extreme conditions

We present a machine learning interatomic potential for water designed to capture its complex multiphase behavior, including both molecular and superionic ice phases. The potential is based on the atomic cluster expansion (ACE) formulation and has been parameterized to enable high-fidelity molecular dynamics simulations of water under extreme conditions, for pressures up to 100 GPa and for temperatures between 500 and 6000 K. A diverse range of configurations was generated through ab initio molecular dynamics (AI-MD) simulations, covering insulating and superionic ice phases, liquid water, and dissociated plasma phase. We demonstrate that the H 2 O ACE potential accurately reproduces experimental and DFT predicted isotherms and Hugoniots. Crucially, the potential is able to capture the intricate phase behavior of water, including the transition from molecular fluid to the appropriate solid ice phases, and the superionic ice phases. This work provides a robust interatomic potential that can be used for large-scale, accurate simulations of water under extreme thermodynamic conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Divergent evolution of extreme production of variant plant monounsaturated fatty acids

Metabolic extremes provide opportunities to understand enzymatic and metabolic plasticity and biotechnological tools for novel biomaterial production. We discovered that seed oils of many Thunbergia species contain up to 92% of the unusual monounsaturated petroselinic acid (18:1Δ6), one of the highest reported levels for a single fatty acid in plants. Supporting the biosynthetic origin of petroselinic acid, we identified a Δ6-stearoyl-acyl carrier protein (18:0-ACP) desaturase from Thunbergia laurifolia , closely related to a previously identified Δ6-palmitoyl-ACP desaturase that produces sapienic acid (16:1Δ6)-rich oils in Thunbergia alata seeds. Guided by a T. laurifolia desaturase crystal structure obtained in this study, enzyme mutagenesis identified key amino acids for functional divergence of Δ6 desaturases from the archetypal Δ9-18:0-ACP desaturase and mutations that result in nonnative enzyme regiospecificity. Furthermore, we demonstrate the utility of the T. laurifolia desaturase for the production of unusual monounsaturated fatty acids in engineered plant and bacterial hosts. Through stepwise metabolic engineering, we provide evidence that divergent evolution of extreme petroselinic acid and sapienic acid production arises from biosynthetic and metabolic functional specialization and enhanced expression of specific enzymes to accommodate metabolism of atypical substrates.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Extreme elevational migration spurred cryptic speciation in giant hummingbirds

The ecoevolutionary drivers of species niche expansion or contraction are critical for biodiversity but challenging to infer. Niche expansion may be promoted by local adaptation or constrained by physiological performance trade-offs. For birds, evolutionary shifts in migratory behavior permit the broadening of the climatic niche by expansion into varied, seasonal environments. Broader niches can be short-lived if diversifying selection and geography promote speciation and niche subdivision across climatic gradients. To illuminate niche breadth dynamics, we can ask how “outlier” species defy constraints. Of the 363 hummingbird species, the giant hummingbird (Patagona gigas) has the broadest climatic niche by a large margin. To test the roles of migratory behavior, performance trade-offs, and genetic structure in maintaining its exceptional niche breadth, we studied its movements, respiratory traits, and population genomics. Satellite and light-level geolocator tracks revealed an >8,300-km loop migration over the Central Andean Plateau. This migration included a 3-wk, ~4,100-m ascent punctuated by upward bursts and pauses, resembling the acclimatization routines of human mountain climbers, and accompanied by surging blood-hemoglobin concentrations. Extreme migration was accompanied by deep genomic divergence from high-elevation resident populations, with decisive postzygotic barriers to gene flow. The two forms occur side-by-side but differ almost imperceptibly in size, plumage, and respiratory traits. The high-elevation resident taxon is the world’s largest hummingbird, a previously undiscovered species that we describe and name here. The giant hummingbirds demonstrate evolutionary limits on niche breadth: when the ancestral niche expanded due to evolution (or loss) of an extreme migratory behavior, speciation followed.

Science & Technology - Other Topics↗
DOE OSTI2020

Characterizing extreme laser intensities by ponderomotive acceleration of protons from rarified gas

Abstract A new method to diagnose extreme laser intensities through measurement of angular and spectral distributions of protons directly accelerated by the laser focused into a rarefied gas is proposed. We simulated a laser pulse focused by an off-axis parabolic mirror by Stratton–Chu integrals, that enables description of laser pulse with different spatial-temporal profiles focusing in a focal spot down to the diffraction limit, that makes our theoretical predictions be a basis for experimental realization. The relationship between characteristics of the proton distributions and parameters of the laser pulse have been analyzed. The analytical and numerical results obtained justify the new method of laser diagnostics. The proposed scheme should be valuable for the commissioning of new extreme intensity laser facilities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

The POEMMA (Probe of Extreme Multi-Messenger Astrophysics) observatory

The Probe Of Extreme Multi-Messenger Astrophysics (POEMMA) is designed to accurately observe ultra-high-energy cosmic rays (UHECRs) and cosmic neutrinos from space with sensitivity over the full celestial sky. POEMMA will observe the air fluorescence produced by extensive air showers (EASs) from UHECRs and potentially UHE neutrinos above 20 EeV. Additionally, POEMMA has the ability to observe the Cherenkov signal from upward-moving EASs induced by Earth-interacting tau neutrinos above 20 PeV. The POEMMA spacecraft are designed to quickly re-orientate to follow up transient neutrino sources and obtain currently unparalleled neutrino flux sensitivity. Developed as a NASA Astrophysics Probe-class mission, POEMMA consists of two identical satellites flying in loose formation in 525 km altitude orbits. Each POEMMA instrument incorporates a wide field-of-view (45°) Schmidt telescope with an optical collecting area of over 6 m 2 . The hybrid focal surface of each telescope includes a fast (1 μs) near-ultraviolet camera for EAS fluorescence observations and an ultrafast (10 ns) optical camera for Cherenkov EAS observations. In a 5-year mission, POEMMA will provide measurements that open new multi-messenger windows onto the most energetic events in the universe, enabling the study of new astrophysics and particle physics at these extreme energies.

Astronomy & Astrophysics↗
DOE OSTI2024

Sensitivity and vulnerability to summer heat extremes in major cities of the United States

Many cities are experiencing increases in extreme heat because of global temperature rise combined with the urban heat island effect. The heterogeneity of urban morphology also leads to fine-scale variability in potential for heat exposure. Yet, how this rise in temperature and local variability together impacts urban residents differently at exposure-relevant scales is still not clear. Here we map the Universal Thermal Climate Index, a more complete indicator of human heat stress at an unprecedentedly fine spatial resolution (1 m), for 14 major cities in the United States using urban microclimate modeling. We examined the different heat exposure levels across different socioeconomic and racial/ethnic groups in these cities, finding that income level is most consistently associated with heat stress. We further conducted scenario simulations for a hypothetical 1 °C increase of air temperature in all cities. Results show that a 1 °C increase would have a substantial impact on human heat stress, with impacts that differ across cities. The results of this study can help us better evaluate the impact of extreme heat on urban residents at decision-relevant scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Arctic extreme precipitation changes from 1980 to 2022 in response to sea ice decline and enhanced atmospheric rivers

Arctic extreme precipitation (EP) broadly impacts permafrost degradation, glacier and snow cover changes, and ice sheet mass balance as well as ecosystems. However, investigation of EP spatiotemporal variations over the Arctic remains challenging, and their primary drivers are still poorly understood. Performance estimation of three state-of-the-art reanalysis products (Climate Forecast System Reanalysis (CFSR), European Centre for Medium-Range Weather Forecasts Reanalysis version 5 (ERA-5), and Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA-2)) against gauge-based precipitation observations reveals that MERRA-2 outperforms other reanalysis for Arctic EP changes. Based on MERRA-2 data, both annual EP amount and occurrence days averaged over the Arctic show statistically significant positive trends during 1980–2022 (3.37 ± 1.03 mm dec −1 and 0.42 ± 0.17 d dec −1 , respectively), with the most pronounced increase in the autumn. Spatial heterogeneity in annual and seasonal EP trends is found across the Arctic, with the largest positive annual trends of 30 mm dec −1 over the Bering Sea and the Denmark Strait. The significant EP increase is closely associated with intensified atmospheric rivers (ARs) and widespread decline in sea ice concentration (SIC). Specially, SIC and ARs are responsible for 12% and 50% of Arctic EP inter-annual variance, respectively, while ARs directly contribute 28.3% of the total annual EP amounts. These findings explain the mechanistic controls on Arctic EP, providing critical insights for projecting polar weather and climate extremes and their impacts on the Arctic environment.

atmospheric rivers↗
DOE OSTI2021

Uniqueness and global optimality of the maximum likelihood estimator for the generalized extreme value distribution

The three-parameter generalized extreme value distribution arises from classical univariate extreme value theory and is in common use for analysing the far tail of observed phenomena, yet important asymptotic properties of likelihood-based estimation under this standard model have not been established. In this paper, we prove that the maximum likelihood estimator is global and unique. An interesting secondary result entails the uniform consistency of a class of limit relations in a tight neighbourhood of the true shape parameter.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

The Design of Relativistic Ultrafast Electron Diffraction and Imaging (RUEDI) Facility for Materials in Extremes

Materials in extreme conditions in terms of temperature and pressure are of great interest where novel phenomena are expected for new science and materials design. A wide range of materials are of interest, including warm dense matter, particulate materials, liquid materials, fusion materials and geophysical materials. Their environments also range from liquid phase, gas phase and cryogenic temperatures. Here, the conditions often correspond to the level of the interiors of planets or stars. Such conditions are, however, typically not available in the laboratory. In addition, novel phenomena exist as transition structures that occur at an extremely short time scale in the harsh environments, which are often difficult to be modelled.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A comprehensive chemical abundance analysis of the extremely metal poor Leoncino Dwarf galaxy (AGC 198691)

ABSTRACT We re-examine the extremely metal-poor dwarf galaxy AGC 198691 using a high quality spectrum obtained by the LBT’s MODS instrument. Previous spectral observations obtained from KOSMOS on the Mayall 4-m and the Blue channel spectrograph on the MMT 6.5-m telescope did not allow for the determination of sulfur, argon, or helium abundances. We report an updated and full chemical abundance analysis for AGC 198691, including confirmation of the extremely low “direct” oxygen abundance with a value of 12 + log (O/H) = 7.06 ± 0.03. AGC 198691’s low metallicity potentially makes it a high value target for helping determine the primordial helium abundance (Yp). Though complicated by a Na i night sky line partially overlaying the He i λ5876 emission line, the LBT/MODS spectrum proved adequate for determining AGC 198691’s helium abundance. We employ the recently expanded and improved model of Aver et al., incorporating higher Balmer and Paschen lines, augmented by the observation of the infrared helium emission line He i λ10830 obtained by Hsyu et al. Applying our full model produced a reliable helium abundance determination, consistent with the expectation for its metallicity. Although this is the lowest metallicity object with a detailed helium abundance, unfortunately, due to its faintness [EW(Hβ) < 100 Å] and the compromised He i λ5876, the resultant uncertainty on the helium abundance is too large to allow a significant improvement on the measurement of Yp.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Extremely massive disc galaxies in the nearby Universe form through gas-rich minor mergers

ABSTRACT In our hierarchical structure-formation paradigm, the observed morphological evolution of massive galaxies – from rotationally supported discs to dispersion-dominated spheroids – is largely explained via galaxy merging. However, since mergers are likely to destroy discs, and the most massive galaxies have the richest merger histories, it is surprising that any discs exist at all at the highest stellar masses. Recent theoretical work by our group has used a cosmological, hydrodynamical simulation to suggest that extremely massive (M* > 1011.4 M⊙) discs form primarily via minor mergers between spheroids and gas-rich satellites, which create new rotational stellar components and leave discs as remnants. Here, we use UV-optical and H i data of massive galaxies, from the Sloan Digital Sky Survey, Galaxy Evolution Explorer, Dark Energy Camera Legacy Survey (DECaLS), and Arecibo Legacy Fast ALFA surveys, to test these theoretical predictions. Observed massive discs account for ∼13 per cent of massive galaxies, in good agreement with theory (∼11 per cent). ∼64 per cent of the observed massive discs exhibit tidal features, which are likely to indicate recent minor mergers, in the deep DECaLS images (compared to ∼60 per cent in their simulated counterparts). The incidence of these features is at least four times higher than in low-mass discs, suggesting that, as predicted, minor mergers play a significant (and outsized) role in the formation of these systems. The empirical star formation rates agree well with theoretical predictions and, for a small galaxy sample with H i detections, the H i masses and fractions are consistent with the range predicted by the simulation. The good agreement between theory and observations indicates that extremely massive discs are indeed remnants of recent minor mergers between spheroids and gas-rich satellites.

79 ASTRONOMY AND ASTROPHYSICS↗