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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

Thermodynamic stability of a spin microemulsion in Rashba spin-orbit-coupled bosons

Recent finite-temperature numerical simulations have unveiled a quantum “spin” microemulsion analog, found by raising the temperature of a stripe supersolid phase in a Rashba spin-orbit coupled Bose gas. This microemulsion state is a highly correlated, isotropic normal fluid where atoms self-arrange based on their internal pseudospin into patterns that resemble bicontinuous microemulsions. This finding leaves several open questions regarding the broader accessibility of this phase in experiments. Here, we use equilibrium finite-temperature numerical simulations based on a coherent-state path integral representation to perform a computational investigation into the thermodynamic stability of the spin microemulsion state. Numerical simulations emphasize the requirement of a nearly, but not perfectly, isotropic spin-orbit coupling in order to achieve the microemulsion phase in cold-atom experiments. Moreover, the microemulsion state exists independent of miscibility of the pseudospin components and for a wide range of pseudospin population imbalance, suggesting a high degree of flexibility in choosing the atom and hyperfine states in an experimental realization. Lastly, we demonstrate this feasibility by mimicking a Rashba spin-orbit-coupled 87 Rb experiment in an isotropic harmonic trap, where we confirm the microemulsion's existence via its density profile and equilibrium quasimomentum distribution.

Complex Langevin dynamics↗
DOE OSTI2021

Momentum distribution of the uniform electron gas at finite temperature: Effects of spin polarization

We carry out extensive direct path integral Monte Carlo (PIMC) simulations of the uniform electron gas (UEG) at finite temperature for different values of the spin-polarization ξ. This allows us to unambiguously quantify the impact of spin effects on the momentum distribution function n(k) and related properties. We find that interesting physical effects like the interaction-induced increase in the occupation of the zero-momentum state n(0) substantially depend on ξ. Our results further advance the current understanding of the UEG as a fundamental model system, and are of practical relevance for the description of transport properties of warm dense matter in an external magnetic field. All PIMC results are freely available online and can be used as a benchmark for the development of methods and applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Importance of nuclear quantum effects on the hydration of chloride ion

Path-integral ab initio molecular dynamics (PI-AIMD) calculations have been employed to probe the nature of chloride ion solvation in aqueous solution. Nuclear quantum effects (NQEs) are shown to weaken hydrogen bonding between the chloride anion and the solvation shell of water molecules. As a consequence, the disruptive effect of the anion on the solvent water structure is significantly reduced compared to what is found in the absence of NQEs. Additionally, the chloride hydration structure obtained from PI-AIMD agrees well with information extracted from neutron scattering data. In particular, the observed satellite peak in the hydrogen-chloride-hydrogen triple angular distribution serves as a clear signature of NQEs. The present results suggest that NQEs are likely to play a crucial role in determining the structure of saline solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Tunneling between Multiple Histories as a Solution to the Information Loss Paradox

The information loss paradox associated with black hole Hawking evaporation is an unresolved problem in modern theoretical physics. In a recent brief essay, we revisited the evolution of the black hole entanglement entropy via the Euclidean path integral (EPI) of the quantum state and allow for the branching of semi-classical histories along the Lorentzian evolution. We posited that there exist at least two histories that contribute to EPI, where one is an information-losing history, while the other is an information-preserving one. At early times, the former dominates EPI, while at the late times, the latter becomes dominant. By doing so, we recovered the essence of the Page curve, and thus, the unitarity, albeit with the turning point, i.e., the Page time, much shifted toward the late time. In this full-length paper, we fill in the details of our arguments and calculations to strengthen our notion. One implication of this modified Page curve is that the entropy bound may thus be violated. We comment on the similarity and difference between our approach and that of the replica wormholes and the islands’ conjectures.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

Carbon Dioxide Active Remote Sensing Using Pulsed 2-µm Lidar

A pulsed 2-µm Integrate Path Differential Absorption (IPDA) lidar was developed at NASA Langley Research Center for high-accuracy and high-precision measurements of atmospheric carbon dioxide (CO 2 ). The instrument targets the R30 CO 2 absorption line and implements high-energy tunable on-line transmitter and advanced HgCdTe avalanche photodiode receiver. During 2019 airborne validation campaign, the IPDA was tested over the ocean for retrieving the weighted-average column dry-air volume mixing ratio of CO 2 (XCO 2 ) from 4.5 km altitude. XCO 2 measurement resulted in 404.43 ± 1.23 ppm using 10 s average, as compared to 405.49 ppm from prediction models. This translates to 0.26% and 0.30% relative accuracy and precision, respectively. Performance models were updated to scale the IPDA technology assuming operation from space platform. Results present XCO 2 measurements using the instrument capabilities considering different target scenarios for Earth’s surface. This demonstrates the potential for the IPDA technique and technology to achieve sustained global CO 2 measurement.

Active Remote Sensing↗
NASA NTRSDate not supplied

Carbon Dioxide Active Remote Sensing Using Pulsed 2-µm Lidar

A pulsed 2-µm Integrate Path Differential Absorption (IPDA) lidar was developed at NASA Langley Research Center for high-accuracy and high-precision measurements of atmospheric carbon dioxide (CO 2 ). The instrument targets the R30 CO 2 absorption line and implements high-energy tunable on-line transmitter and advanced HgCdTe avalanche photodiode receiver. During 2019 airborne validation campaign, the IPDA was tested over the ocean for retrieving the weighted-average column dry-air volume mixing ratio of CO 2 (XCO 2 ) from 4.5 km altitude. XCO 2 measurement resulted in 404.43 ± 1.23 ppm using 10 s average, as compared to 405.49 ppm from prediction models. This translates to 0.26% and 0.30% relative accuracy and precision, respectively. Performance models were updated to scale the IPDA technology assuming operation from space platform. Results present XCO 2 measurements using the instrument capabilities considering different target scenarios for Earth’s surface. This demonstrates the potential for the IPDA technique and technology to achieve sustained global CO 2 measurement.

Active Remote Sensing↗
DOE OSTI2021

Experimental and theoretical determinations of hydrogen isotopic equilibrium in the system CH 4 —H 2 —H 2 O from 3 to 200°C

The stable isotopic composition of methane (CH 4 ) is commonly used to fingerprint natural gas origins. Over the past 50 years, there have been numerous proposals that both microbial and thermogenic CH 4 can form in or later attain hydrogen isotopic equilibrium with water (H 2 O) and carbon isotopic equilibrium with carbon dioxide (CO 2 ). Evaluation of such proposals requires knowledge of the equilibrium fractionation factors between CH 4 and H 2 O or CO 2 at the temperatures where microbial and thermogenic CH 4 form in or are found in the environment, which is generally less than 200°C. Experimental determinations of these fractionation factors are only available above 200°C, requiring extrapolation of these results beyond the calibrated range or the use of theoretical calculations at lower temperatures. Here, we provide a calibration of the equilibrium hydrogen isotopic fractionation factor for CH 4 and hydrogen gas (H 2 ) ( D α CH4(g)–H2(g) ) based on experiments using γ-Al 2 O 3 and Ni catalysts from 3 to 200°C. Results were regressed as a 2 nd order polynomial of 1000 × ln D α CH4(g)–H2(g) vs. 1/T (K -1 ) yielding: 1000 × l n D α C H 4 ( g ) - H 2 ( g ) = 3.5317 × 10 7 T 2 + 2.7749 × 10 5 T - 179.48 We combine this calibration with previous experimental determinations of hydrogen isotope equilibrium between H 2 , H 2 O(g), and H 2 O(l) and we provide an interpolatable experimental calibration of 1000 × ln D α CH4(g)–H2O(l) from 3 to 200°C. Our resulting 4th order polynomial is the following equation: 1000 × l n D α C H 4 ( g ) - H 2 O l = - 7.9443 × 10 12 T 4 + 8.7772 × 10 10 T 3 - 3.4973 × 10 8 T 2 + 5.4398 × 10 5 T - 382.05 At 3°C, the value from our calibration differs by 93‰ relative to what would be calculated based on the extrapolation of the only experimental calibration currently available to temperatures below its calibrated range (lowest temperature of 200°C; Horibe and Craig, 1995). We additionally provide new theoretical estimates of hydrogen isotopic equilibrium between CH 4 (g), H 2 (g), and H 2 O(g) and carbon isotopic equilibrium between CH 4 (g) and CO 2 (g) using Path Integral Monte Carlo (PIMC) calculations. Our PIMC calculations for hydrogen isotopic equilibrium between CH 4 and H 2 agree 1:1 with our experiments. Finally, we compile carbon and hydrogen isotopic measurements of CH 4 , CO 2 , and H 2 O from various environmental systems and compare observed differences between carbon and hydrogen isotopes to those expected based on isotopic equilibrium. We find that isotopic compositions of some microbial gases from marine sedimentary, coalbed, and shale environments are consistent with those expected for CH 4 H 2 O(l) hydrogen and CH 4 CO 2 carbon isotopic equilibrium. In contrast, microbial terrestrial and pure culture gases are not consistent with both CH 4 H 2 O(l) hydrogen and CH 4 CO 2 carbon isotopic equilibrium. Overall, these results are explained qualitatively using previously developed conceptual models that link free energy gradients available to microorganisms to the degree that their enzymes can promote isotope-exchange reactions between CH 4 , CO 2 , and H 2 O.

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

Multipartite entanglement structure of fibered link states

We study the patterns of multipartite entanglement in Chern-Simons theory with compact simple gauge group 𝐺 and level 𝑘 for states defined by the path integral on “link complements,” i.e., compact manifolds whose boundaries consist of 𝑛 topologically linked tori. We focus on link complements which can be described topologically as fibrations over a Seifert surface. We show that the entanglement structure of such fibered link complement states is controlled by a topological invariant, the monodromy of the fibration. Thus, the entanglement structure of a Chern-Simons link state is not simply a function of the link, but also of the background manifold in which the link is embedded. In particular, we show that any link possesses an embedding into some background that leads to Greenberger–Horne–Zeilinger state (GHZ)-like entanglement. Furthermore, we demonstrate that all fibered links with periodic monodromy have GHZ-like entanglement, i.e., a partial trace on any link component produces a separable state. These results generalize to any three dimensional topological field theory with a dual chiral rational conformal field theory.

conformal field theory↗
DOE OSTI2023

Simultaneous Measurements of Noncommuting Observables: Positive Transformations and Instrumental Lie Groups

We formulate a general program for describing and analyzing continuous, differential weak, simultaneous measurements of noncommuting observables, which focuses on describing the measuring instrument autonomously, without states. The Kraus operators of such measuring processes are time-ordered products of fundamental differential positive transformations, which generate nonunitary transformation groups that we call instrumental Lie groups. The temporal evolution of the instrument is equivalent to the diffusion of a Kraus-operator distribution function, defined relative to the invariant measure of the instrumental Lie group. This diffusion can be analyzed using Wiener path integration, stochastic differential equations, or a Fokker-Planck-Kolmogorov equation. This way of considering instrument evolution we call the Instrument Manifold Program. We relate the Instrument Manifold Program to state-based stochastic master equations. We then explain how the Instrument Manifold Program can be used to describe instrument evolution in terms of a universal cover that we call the universal instrumental Lie group, which is independent not just of states, but also of Hilbert space. The universal instrument is generically infinite dimensional, in which case the instrument’s evolution is chaotic. Special simultaneous measurements have a finite-dimensional universal instrument, in which case the instrument is considered principal, and it can be analyzed within the differential geometry of the universal instrumental Lie group. Principal instruments belong at the foundation of quantum mechanics. We consider the three most fundamental examples: measurement of a single observable, position and momentum, and the three components of angular momentum. As these measurements are performed continuously, they converge to strong simultaneous measurements. For a single observable, this results in the standard decay of coherence between inequivalent irreducible representations. For the latter two cases, it leads to a collapse within each irreducible representation onto the classical or spherical phase space, with the phase space located at the boundary of these instrumental Lie groups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

First-principles equation of state database for warm dense matter computation

We put together a first-principles equation of state (FPEOS) database for matter at extreme conditions by combining results from path integral Monte Carlo and density functional molecular dynamics simulations of the elements H, He, B, C, N, O, Ne, Na, Mg, Al, and Si as well as the compounds LiF , B 4 C , BN , CH 4 , CH 2 , C 2 H 3 , CH , C 2 H , MgO , and MgSiO 3 . For all these materials, we provide the pressure and internal energy over a density-temperature range from ~ 0.5 to 50 g cm - 3 and from ~ 10 4 to 10 9 K, which are based on ~ 5000 different first-principles simulations. We compute isobars, adiabats, and shock Hugoniot curves in the regime of L - and K -shell ionization. Invoking the linear mixing approximation, we study the properties of mixtures at high density and temperature. Furthermore, we derive the Hugoniot curves for water and alumina as well as for carbon-oxygen, helium-neon, and CH-silicon mixtures. We predict the maximal shock compression ratios of H 2 O , H 2 O 2 , Al 2 O 3 , CO , and CO 2 to be 4.61, 4.64, 4.64, 4.89, and 4.83, respectively. Finally we use the FPEOS database to determine the points of maximum shock compression for all available binary mixtures. We identify mixtures that reach higher shock compression ratios than their end members. We discuss trends common to all mixtures in pressure-temperature and particle-shock velocity spaces. In the Supplemental Material, we provide all FPEOS tables as well as computer codes for interpolation, Hugoniot calculations, and plots of various thermodynamic functions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Benchmarking boron carbide equation of state using computation and experiment

Boron carbide ( B 4 C ) is of both fundamental scientific and practical interest due to its structural complexity and how it changes upon compression, as well as its many industrial uses and potential for use in inertial confinement fusion (ICF) and high-energy density physics experiments. Here, we report the results of a comprehensive computational study of the equation of state (EOS) of B 4 C in the liquid, warm dense matter, and plasma phases. Our calculations are cross-validated by comparisons with Hugoniot measurements up to 61 megabar from planar shock experiments performed at the National Ignition Facility (NIF). Our computational methods include path integral Monte Carlo, activity expansion, as well as all-electron Green's function Korringa-Kohn-Rostoker and molecular dynamics that are both based on density functional theory. We calculate the pressure-internal energy EOS of B 4 C over a broad range of temperatures ( ~ 6 × 10 3 – 5 × 10 8 K) and densities (0.025–50 g / cm 3 ). We assess that the largest discrepancies between theoretical predictions are ≲ 5 % near the compression maximum at 1– 2 × 10 6 K. This is the warm-dense state in which the K shell significantly ionizes and has posed grand challenges to theory and experiment. By comparing with different EOS models, we find a Purgatorio model (LEOS 2122) that agrees with our calculations. The maximum discrepancies in pressure between our first-principles predictions and LEOS 2122 are ~ 18 % and occur at temperatures between 6 × 10 3 – 2 × 10 5 K, which we believe originate from differences in the ion thermal term and the cold curve that are modeled in LEOS 2122 in comparison with our first-principles calculations. To account for potential differences in the ion thermal term, we have developed three new equation-of-state models that are consistent with theoretical calculations and experiment. We apply these new models to 1D hydrodynamic simulations of a polar direct-drive NIF implosion, demonstrating that these new models are now available for future ICF design studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

Landau damping of magnetospherically reflected whistlers

Unducted VLF signals produced by lightning activity can form a population of magnetospherically reflected (MR) whistlers in the inner magnetosphere. It has been suggested recently that in the absence of significant attenuation such waves could merge into a broadband continuum with sufficient intensity to account for plasmaspheric hiss. To test this conjecture we have evaluated the path-integrated attenuation of MR whistlers along representative ray paths using the HOTRAY code. Using a realistic plasma distribution modeled on in-situ data, we find that the majority of MR waves experience significant damping after a few transits across the equator. This is primarily due to Landau resonance with suprathermal (0.1-1 keV) electrons. The attenuation is most pronounced for waves that propagate through the outer plasmasphere; this can readily account for the infrequent occurrence of multiple-hop MR waves for L greater than or equal to 3.5. Selected waves that originate at intermediate latitudes (15 deg is less than or equal to lambda is less than or equal to 35 deg) and whose ray paths are confined to the inner plasma- sphere may experience up to 10 magnetospheric reflections before substantial attentuation occurs. These waves should form the population of observed MR waves. Wave attenuation becomes more pronounced at higher frequencies; this can account for the absence of multiple-hop waves above 5 kHz. Weakly attenuated MR waves tend to migrate outward to the L shell, where their frequency is comparable to the equatorial lower hybrid frequency. The enhanced concentration of waves due to a merging of ray paths would produce a spectral feature that rises in frequency at lower L. This is quite distinct from the reported properties of plasmaspheric hiss, which maintains a constant frequency band throughout the entire plasmasphere. Furthermore, in the absence of mode conversion, waves below 500 Hz, which often form an important if not dominant part of the spectral properties of hiss, are unable to escape from the topside ionosphere in the whistler mode. Consequently, we conclude that unducted lightning signals cannot account for the origin of plasmaspheric hiss.

Thorne, Richard M.↗
DOE OSTI2021

High-sensitivity gas-mapping 3D imager and method of operation

Measurement apparatuses and methods are disclosed for generating high-precision and -accuracy gas concentration maps that can be overlaid with 3D topographic images by rapidly scanning one or several modulated laser beams with a spatially-encoded transmitter over a scene to build-up imagery. Independent measurements of the topographic target distance and path-integrated gas concentration are combined to yield a map of the path-averaged concentration between the sensor and each point in the image. This type of image is particularly useful for finding localized regions of elevated (or anomalous) gas concentration making it ideal for large-area leak detection and quantification applications including: oil and gas pipeline monitoring, chemical processing facility monitoring, and environmental monitoring.

Kreitinger, Aaron Thomas↗
DOE OSTI2023

High-sensitivity gas-mapping 3D imager and method of operation

Measurement apparatuses and methods are disclosed for generating high-precision and -accuracy gas concentration maps that can be overlaid with 3D topographic images by rapidly scanning one or several modulated laser beams with a spatially-encoded transmitter over a scene to build-up imagery. Independent measurements of the topographic target distance and path-integrated gas concentration are combined to yield a map of the path-averaged concentration between the sensor and each point in the image. This type of image is particularly useful for finding localized regions of elevated (or anomalous) gas concentration making it ideal for large-area leak detection and quantification applications including: oil and gas pipeline monitoring, chemical processing facility monitoring, and environmental monitoring.

Kreitinger, Aaron Thomas↗
NASA NTRS1988

On the integration of image sources in exact image method of field analysis

Convergence conditions of image integration in the exact image method of field calculation have been investigated, and the method is extended to include more general media than previously considered. It is demonstrated that the integral is well behaved and the method works best when the field is calculated in a medium with less loss. If the medium has more loss, it is shown that the image line may enter the improper half-space and still produce valid results. Means of correctly selecting the integration path branch for the case of crossing branch cuts of the Green function in complex integration planes are proposed.

Lindell, I. V.↗
NASA NTRS2010

Development of a Coherent Differential Absorption Lidar for Range Resolved Atmospheric CO2 Measurements

A pulsed, 2-m coherent Differential Absorption Lidar (DIAL) / Integrated Path Differential Absorption (IPDA) transceiver, developed under the Laser Risk Reduction Program (LRRP) at NASA, is integrated into a fully functional lidar instrument. This instrument will measure atmospheric CO2 profiles (by DIAL) initially from a ground platform, and then be prepared for aircraft installation to measure the atmospheric CO2 column densities in the atmospheric boundary layer (ABL) and lower troposphere. The airborne prototype CO2 lidar can measure atmospheric CO2 column density in a range bin of 1km with better than 1.5% precision at horizontal resolution of less than 50km. It can provide the image of the pooling of CO2 in lowlying areas and performs nighttime mass balance measurements at landscape scale. This sensor is unique in its capability to study the vertical ABL-free troposphere exchange of CO2 directly. It will allow the investigators to pursue subsequent in science-driven deployments, and provides a unique tool for Active Sensing of CO2 Emissions over Night, Days, and Seasons (ASCENDS) validation that was strongly advocated in the recent ASCENDS Workshop.

Yu, Jirong↗
NASA NTRSDate not supplied

Candidate Performance Metrics for Generalized Control for Autonomous Flight

Contingency management is the most challenging aspect of autonomous flight. In order to accommodate the most flexible response to unpredicted events and unexpected circumstances, i.e. contingencies, a new integrated path planning, trajectory following, flight control architecture is required that would maximize the safe operating envelope. For this highly integrated generalized control architecture, a new set of performance metrics that extends beyond traditional stability and performance is required. This paper proposes a candidate set of new performance metrics relevant to urban air mobility mission scenarios.

Control metrics↗
NASA NTRSDate not supplied

Candidate Performance Metrics for Generalized Control for Autonomous Flight

Contingency management is the most challenging aspect of autonomous flight. In order to accommodate the most flexible response to unpredicted events and unexpected circumstances, i.e. contingencies, a new integrated path planning, trajectory following, flight control architecture is required that would maximize the safe operating envelope. For this highly integrated generalized control architecture, a new set of performance metrics that extends beyond traditional stability and performance is required. This paper proposes a candidate set of new performance metrics relevant to urban air mobility mission scenarios.

Control metrics↗