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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 199 records · Page 11

Raman Q-branch line shapes as a test of the H2-Ar intermolecular potential

The line-shape cross sections of vibrational Raman Q-branch spectra are determined theoretically for D2 and H2 in Ar. The calculations are based on accurate close-coupling matrices and the intermolecular potential obtained by Le Roy and Hutson (1987) from spectra of van der Waals complexes. The calculation techniques applied are explained, and the results are presented in tables and graphs and discussed in detail with reference to published experimental data. Agreement to within about 25 percent is obtained for the line widths, but the line shifts are found to be a factor of two smaller than the measured values, and a temperature dependence of line-width cross sections is predicted which is not observed experimentally.

Green, Sheldon↗

Venus Atmospheric Probe and Flyby Relay Spacecraft Cross-Link Tracking Impact on Relative Pointing Accuracy

Scientific exploration of Venus using an atmospheric probe requires relaying telemetry to Earth as the probe descends through the atmosphere to the surface of Venus. Using the flyby spacecraft to relay the probe telemetry to Earth will require precise carrier-to-probe pointing accuracy of the relay spacecraft’s antenna. NASA’s Deep Atmosphere Venus Investigation of Noble gases, Chemistry, and Imaging (DAVINCI) mission uses this carrier-to-probe relay technique. Although DAVINCI includes a coherent cross-link for science, this is not baselined for navigation tracking. This paper explores the potential effectiveness of cross-link tracking for reducing trajectory uncertainty and improving spacecraft-to-probe pointing.

DAVINCI↗

Investigating Potential Causes for the Prediction of Spurious Magnetopause Crossings at Geosynchronous Orbit in MHD Simulations

During intense geomagnetic storms, the magnetopause can move in as far as geosynchronous orbit, leaving the satellites in that orbit out in the magnetosheath. Spacecraft operators turn to numerical models to predict the response of the magnetopause to solar wind conditions, but the predictions of the models are not always accurate. This study investigates four storms with a magnetopause crossing by at least one GOES satellite, using four magnetohydrodynamic models at NASA's Community Coordinated Modeling Center to simulate the events, and analyzes the results to investigate the reasons for errors in the predictions. Two main reasons can explain most of the erroneous predictions. First, the solar wind input to the simulations often contains features measured near the L1 point that did not eventually arrive at Earth; incorrect predictions during such periods are due to the solar wind input rather than to the models themselves. Second, while the models do well when the primary driver of magnetopause motion is a variation in the solar wind density, they tend to overpredict or underpredict the integrated Birkeland currents and their effects during times of strong negative interplanetary magnetic field (IMF) Bz, leading to poorer prediction capability. Coupling the MHD codes to a ring current model, when such a coupling is available, generally will improve the predictions but will not always entirely correct them. More work is needed to fully characterize the response of each code under strong southward IMF conditions as it relates to prediction of magnetopause location.

magnetopause↗

Fullerene Propellant Research for Electric Propulsion

The large mass, low first ionization potential and large electron impact ionization cross-section make Buckminsterfullerene (carbon 60) potentially attractive as an ion engine propellant. It has the potential for significant increases in engine efficiency over that obtained with xenon at specific impulses less than 3 000 s. One problem encountered in fullerene ion engines has been dissociation of the propellant. Previously this was attributed to thermal decomposition due to operation of the ion engine at temperatures greater than 1073 K. However, during tests conducted at temperatures lower than 1073 K fullerene fragmentation was still observed. This prompted an investigation to determine if the dissociation was still due to thermal effects or if it was due to collisional processes in the discharge chamber.

fullerenes↗

Theoretical study of hydrogen and nitrogen interactions - N-H transport cross sections and collision integrals

Potential energy curves have been calculated for the X 3Sigma(-) and 5Sigma(-) states of NH using a complete-active-space self-consistent-field/multireference configuration-interaction procedure and extensive Gaussian basis sets. An accurate dipole moment function is computed for the X 3Sigma(-) state. Transport cross sections have been calculated for the collisions of hydrogen and nitrogen atoms in their ground states. The mean transport cross sections are tabulated for collision energies in the range 0.0001-1 E(h); the mean collision integrals are listed for temperatures between 100 and 100,000 K. The ab initio energies for the 5 Sigma(-) state of NH are found to be consistent with the results of correlation studies and agree well with the prediction from combining relations using the energies of the highest spin states of H2 and N2.

Stallcop, James R.↗

Gravitational lensing frequencies - Galaxy cross-sections and selection effects

Four issues - (1) the best currently available data on the galaxy velocity-dispersion distribution, (2) the effects of finite core radii potential ellipticity on lensing cross sections, (3) the predicted distribution of lens image separations compared to observational angular resolutions, and (4) the preferential inclusion of lens systems in flux limited samples - are considered in order to facilitate more realistic predictions of multiple image galaxy-quasar lensing frequencies. It is found that (1) the SIS lensing parameter F equals 0.047 +/-0.019 with almost 90 percent contributed by E and S0 galaxies, (2) observed E and S0 core radii are remarkably small, yielding a factor of less than about 2 reduction in total lensing cross sections, (3) 50 percent of galaxy-quasar lenses have image separations greater than about 1.3 arcsec, and (4) amplification bias factors are large and must be carefully taken into account. It is concluded that flat universe models excessively dominated by the cosmological constant are not favored by the small observed galaxy-quasar lensing rate.

Fukugita, Masataka↗

Wholly Sustainable, Cost-Effective Carbon Fiber-Nylon Compounds CRADA 592 (Final Report)

Carbon fiber composites have attracted considerable attention due to the potential for substantial mass savings, with many examples now implemented in the low-volume luxury car market. However, migration to higher volume applications has been hindered by: (a) high material cost, (b) high processing times, and (c) perception of low Sustainability. This project will address all three of these barriers: (a) carbon fiber material to replace aluminum in structural components at a cost penalty of no more than $5/Kg-saved (aka weight buy), (b) fitting into high-rate processes for automotive production like injection molding, and (c) end-to-end Sustainable material – based on post industrial waste carbon fiber and nylon 66 and ability to recycle end-of-life auto parts. The opportunity lies in combining DowAksa capabilities in carbon fiber manufacturing, resin chemistry intermediate production with the unique testing capabilities inherent within PNNL. The teams from PNNL and DowAksa held several meetings virtually and in-person in Michigan and at PNNL, including a lab tour at PNNL. Throughout, the teams discussed DowAksa material sources, commercially available recycled base materials, and preliminary material properties. The teams also engaged in multiple discussions and evaluations of potential automotive applications based on the ideas suggested by PNNL. The teams discussed several potential automotive applications in which recycled carbon fiber and recycled PA resin can be used. The PNNL team identified 38 cast aluminum components that can potentially be assessed for redesign using the DowAksa materials system. The PNNL team also identified 27 polyamide components. The teams discussed the lists and narrowed it down to a handful of applications that are exterior and interior to common vehicle architectures. The team also considered semi-structural and structural components and short-listed the highest potential candidates, such as cross-car-beam. The cross-car beam was considered to be highly suitable and potentially viable demonstration applications based on the properties of the materials as well as the weight savings potentials and the reduction in embodied energy by utilizing wholly sustainable materials, since both materials, carbon fiber and resin, were derived from recycled materials. The next step was to reach out to potential OEMs and/or Tier1s who were interested in exploring such technology for future applications. However, the project was terminated, and no further discussions or exchange of information took place. No new data were generated, including no IP and no publications.

36 MATERIALS SCIENCE↗

Bistable Deployable Composite Booms With Parabolic Cross-Sections

This paper investigates how stable equilibrium states in the extended and coiled configurations can be predicted in thin-shelled composite booms with parabolic cross-sections. These conic shapes potentially offer greater stiffness properties when compared to circular cross-sections, which is critical for improving the load bearing performance of deployed booms. Inducing bistability through the choice of composite shell layups in parabolic booms would allow for controllable self-deployment due to a less energetic coiled state when compared to monostable booms. An inextensional analytical model is used to predict the stable coiled diameters of tape spring and Collapsible Tubular Mast (CTM) booms with parabolic cross-sections. The parabolic section is discretized into circular segments using biarc spline interpolation, which allows them to be integrated into the strain energy minimization procedure used to obtain the equilibrium states. When the parabolic booms are parametrically compared against circular booms with identical layups, flattened height, and mass, the former are found to generally have better stiffness performance while being less efficient in stowed volume as evidenced by larger coiled diameters. Analytical coiled diameters and their strain energy are verified with finite element simulations for optimal parabolic tape spring and CTM booms.

Andrew J. Lee↗

Optical potential uncertainties on exclusive tens-of-MeV Ar cross sections

Large liquid argon time projection chamber (LArTPC) neutrino detectors, such as those planned for the Deep Underground Neutrino Experiment (DUNE), show considerable promise as a platform for next-generation measurements of supernova neutrinos. Thanks to the neutron excess in $^{40}$Ar as well as the detailed tracking possible with LArTPCs, these detectors are expected to be uniquely capable of measuring supernova electron neutrinos with high statistics and minimal backgrounds. However, these technological advantages come at the price of complexities in data interpretation; reconstruction of the incident energies of supernova neutrinos in a future LArTPC-based analysis will be subject to a variety of systematic uncertainties related to nuclear interaction modeling. In this talk, we present a study of a subset of these uncertainties as implemented in the MARLEY event generator used by DUNE and other LArTPC neutrino experiments. Variations to the optical potential used in the MARLEY nuclear de-excitation model are applied to the calculation of exclusive tens-of-MeV neutrino-nucleus cross sections for the first time, and the impact on observables of interest for supernova neutrino detection is examined. We also discuss prospects for quantifying other sources of uncertainty on the MARLEY neutrino interaction model.

El-Haj, Luca Abu↗

Topological Exact Flat Bands in Two-Dimensional Materials under Periodic Strain

Here we study flat bands and their topology in 2D materials with quadratic band crossing points under periodic strain. In contrast to Dirac points in graphene, where strain acts as a vector potential, strain for quadratic band crossing points serves as a director potential with angular momentum . We prove that when the strengths of the strain fields hit certain “magic” values, exact flat bands with emerge at charge neutrality point in the chiral limit, in strong analogy to magic angle twisted-bilayer graphene. These flat bands have ideal quantum geometry for the realization of fractional Chern insulators, and they are always fragile topological. The number of flat bands can be doubled for certain point group, and the interacting Hamiltonian is exactly solvable at integer fillings. We further demonstrate the stability of these flat bands against deviations from the chiral limit, and discuss possible realization in 2D materials.

36 MATERIALS SCIENCE↗

Determination of optimum voltages of ion focusing devices using computer techniques

Electric potentials for two dimensional cross sections of ion focusing devices used in a mass spectrometer are calculated via a series of computer programs designed to compute potentials between areas of fixed voltages. Ion trajectories within these devices may be determined by computer and a histogram obtained which plots ion density against ion position along a plate of the focusing device. For each lens system, a plate voltage may be changed, the electric potentials recalculated, and a new histogram calculated in order to determine if the new voltage configuration has increased the device's efficiency. This process may be repeated until the optimum voltage values have been found for maximum particle transmission in each focusing device.

Eckstein, B. A.↗

Projected WIMP sensitivity of the LUX-ZEPLIN dark matter experiment

LUX-ZEPLIN (LZ) is a next generation dark matter direct detection experiment that will operate 4850 feet underground at the Sanford Underground Research Facility (SURF) in Lead, South Dakota, USA. Using a two-phase xenon detector with an active mass of 7 tonnes, LZ will search primarily for low-energy interactions with Weakly Interacting Massive Particles (WIMPs), which are hypothesized to make up the dark matter in our galactic halo. In this paper, the projected WIMP sensitivity of LZ is presented based on the latest background estimates and simulations of the detector. For a 1000 live day run using a 5.6 tonne fiducial mass, LZ is projected to exclude at 90% confidence level spin-independent WIMP-nucleon cross sections above $1.6 \times 10^{-48}$ cm$^{2}$ for a 40 $\mathrm{GeV}/c^{2}$ mass WIMP. Additionally, a $5\sigma$ discovery potential is projected reaching cross sections below the existing and projected exclusion limits of similar experiments that are currently operating. For spin-dependent WIMP-neutron(-proton) scattering, a sensitivity of $2.7 \times 10^{-43}$ cm$^{2}$ ($8.1 \times 10^{-42}$ cm$^{2}$) for a 40 $\mathrm{GeV}/c^{2}$ mass WIMP is expected. With underground installation well underway, LZ is on track for commissioning at SURF in 2020.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Interpretation of glory undulations in scattering cross sections Amplitudes

Information on the interaction potential contained in the undulations in the energy dependence of the total scattering cross section is deduced by measuring the undulation amplitude. The amplitude is interpreted with emphasis on features that are independent of any specific assumptions about the form of the interaction potential. It is shown that the previously measured spacings of the undulations describe the area of the potential well, whereas the amplitudes provide a measure of the force in the vicinity of the distance of closest approach. This information can be used to test proposed potential models and to suggest ways of improving inadequate models; if the predicted spacing is too large, then the area of the well of the model is too small, and if the predicted amplitude is too small, then the repulsive wall of the potential is too steep.

Greene, E. F.↗

Developing reliable machine learning interatomic potential for Fe–Cr–Ni austenitic alloys

Gaining atomistic understanding of mechanical behavior of heat-resistant structural materials such as Fe–Cr–Ni-based alloys requires an approach with an accuracy close to density functional theory (DFT) that considers the intrinsic properties of the bulk lattice and important defects such as stacking faults, grain boundaries, and surfaces. This work aims to develop reliable machine learning interatomic potential (MLIAP) at cross-scale for Fe–Cr–Ni ternary alloys with a focus on the face-centered-cubic (fcc) solid solution structure. Leveraging the advantages of moment tensor potentials, which typically necessitate a relatively small training dataset and enable rapid calculations using the large-scale atomic/molecular massively parallel simulator package, we ensure the stability and accuracy of the trained potentials. Important defects such as stacking faults, grain boundaries, and surfaces for wide-range compositions are investigated. Structural, thermal, elastic, and defect properties are determined from molecular dynamics simulations comprising several thousand atoms, generated via canonical Monte Carlo simulations guided by the trained potential. The trained potential allows efficient atomic simulations of structural, thermal, and mechanical properties of fcc Fe–Cr–Ni solid solution alloys as a function of composition and temperature. Therefore, the MLIAP approach represents a major advancement from DFT calculations that are limited to small simulation sizes and traditional molecular dynamics simulations using relatively low accuracy potentials. Furthermore, this work outlines a practical foundation for further investigating the structural evolution and mechanical behavior of austenitic stainless steel and nickel-based alloys in a wide array of applications in extreme environments.

Crystal structure↗

Theoretical studies of interstellar processes

We have been studying the dissociative recombination (DR) of HeH(+) with an electron with the goal of calculating accurate cross sections and rate coefficients to allow for the accurate modelling of the abundance of HeH(+) in planetary nebulae and supernova envelopes. A unique feature of the HeH potential curves is that none of the neutral states cross the ion curve. This required a new approach to the calculation of DR cross sections and rate coefficients that had not yet appeared in the literature. Because of the lack of a potential curve crossing, the initial electron capture occurs by Born-Oppenheimer breakdown, i.e. by the interaction of the motion of the incoming electron with the nuclear motion. This same mechanism also drives DR in H3(+) and the methods developed and described below for HeH(+) DR will be used for the future calculation of H3(+) DR.

Guberman, Steven L.↗

Three-dimensional analysis of potential vorticity associated with tropopause folds and observed variations of ozone and carbon monoxide

The usability and reliability of potential vorticity as a meteorological stratospheric tracer are evaluated. The concept of potential vorticity conservation during transport in which stratospheric and tropospheric air are mixing is tested. Aircraft data collected on April 20, 1984 in the western and southwestern U.S. are analyzed in order to derive potential vorticity data; vertical cross sections of constant-pressure data and temperature and wind speed gradients are examined. The tropopause fold observed during the April 20, 1984 aircraft flights is described. The potential vorticity, ozone mixing ratio, and carbon monoxide mixing ratio are compared; a positive correlation between potential vorticity and the ozone mixing ratio and a negative correlation between the potential vorticity and the carbon monoxide mixing ratio are detected. The data support the concepts of the conservation of potential vorticity, the entrainment and mixing of tropospheric air across the boundaries of the fold, and the applicability of potential vorticity as a stratospheric tracer.

Danielsen, Edwin F.↗