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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Self-consistency in GWΓ formalism leading to quasiparticle-quasiparticle couplings

Within many-body perturbation theory, Hedin's formalism offers a systematic way to iteratively compute the self-energy Σ of any dynamically correlated interacting system, provided one can evaluate the interaction vertex Γ exactly. This is, however, impossible, in general, for it involves the functional derivative of Σ with respect to the Green's function. Here, we analyze the structure of this derivative, splitting it into four contributions and outlining the type of quasiparticle interactions that each of them generate. Moreover, we show how, in the implementation of self-consistency, the action of these contributions can be classified into two: A quantitative renormalization of previously included interaction terms and the inclusion of qualitatively distinct interaction terms through successive functional derivatives of Γ itself. Implementing this latter type of self-consistency can extend the validity of perturbative approximations based on Hedin's equations toward the high interaction limit, as we show in the example of the Hubbard dimer. Furthermore, our analysis also provides a unifying perspective on the perturbation theory landscape, showing how the T-matrix approach is completely contained in Hedin's formalism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Calculation of electron-ion temperature equilibration rates and friction coefficients in plasmas and liquid metals using quantum molecular dynamics

In this work, we discuss a method to calculate with quantum molecular dynamics simulations the rate of energy exchanges between electrons and ions in two-temperature plasmas, liquid metals, and hot solids. Promising results from this method were recently reported for various materials and physical conditions. Like other ab initio calculations, the approach offers a very useful comparison with the experimental measurements and permits an extension into conditions not covered by the experiments. The energy relaxation rate is related to the friction coefficients felt by individual ions due to their nonadiabatic interactions with electrons. Each coefficient satisfies a Kubo relation given by the time integral of the autocorrelation function of the interaction force between an ion and the electrons. These Kubo relations are evaluated using the output of quantum molecular dynamics calculations in which electrons are treated in the framework of finite-temperature density functional theory. The calculation presents difficulties that are unlike those encountered with the Kubo formulas for the electrical and thermal conductivities. In particular, the widely used Kubo-Greenwood approximation is inapplicable here. Indeed, the friction coefficients and the energy relaxation rate diverge in this approximation since it does not properly account for the electronic screening of electron-ion interactions. The inclusion of screening effects considerably complicates the calculations. We discuss the physically motivated approximations we applied to deal with these complications in order to investigate a widest range of materials and physical conditions. Unlike the standard method used for the electronic conductivities, the Kubo formulas are evaluated directly in the time domain and not in the energy domain, which spares one from needing to introduce an extraneous undetermined numerical parameter to account for the discrete character of the numerical density of states. We highlight interesting properties of the energy relaxation rate not shared by other electronic properties, in particular its self-averaging character. We then present a detailed parametric and convergence study with the numerical parameters, including the system size, the number of bands and k-points, and the physical approximations for the dielectric function and the exchange-correlation energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Hadroproduction of heavy quarkonia at the LHC

The production of heavy quarkonia at the LHC is considered. It is shown that, in the case of the inclusive production of χ{sub cJ}P-wave charmonia, existing experimental data can be described upon taking into account next-to-leading corrections, a dominant contribution coming from color-singlet states. For the case of B{sub c}-meson production, it is shown that, at experimentally accessible values of the transverse momentum, power-law corrections to the cross section make a significant contribution, with the result that the cross-section ratio σ(B{sub c})/σ(B) develops a p{sub T} dependence not observed in the fragmentation regime. The case of double vector-charmonium production is also considered.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Recovery Act - Measurement of Parity Violation in Deep Inelastic Scattering and Studies of the Nucleon Spin Structure at JLab 6 and 11 GeV

The program proposed contains two ingredients which aim to address aspects of two of the three research frontiers of nuclear science as identified in the 2007 NSAC Long Range Plan. The first topic, a test of the current Standard Model, is an ongoing project focusing on measurements of the parity-violating asymmetry in ~e-2H deep inelastic scattering (PVDIS). The PVDIS measurement is complementary to other completed or ongoing low- to medium-energy tests of the Standard Model. As the first, exploratory, step, an experiment using a 6 GeV electron beam will be carried out from October to December 2009 at the Thomas Jefferson National Accelerator Facility (JLab). Meanwhile, a program using the upgraded JLab 11 GeV beam is being planned. The PVDIS program as a whole will provide the first precision data on the axial quark neutral-weak coupling constants. This will either put the current Standard Model to a test that has never been done before, or reveal information on where to look for New Physics beyond the current Standard Model. The PVDIS program will also provide results on hadronic physics effects such as charge symmetry violation. The second part of the proposed program uses spin observables to address the research frontier concerning QCD and structure of the nucleon. An experiment using the JLab 6 GeV beam in 2001 showed that, contrary to predictions from perturbative quantum chromodynamics (pQCD), while the valence up quark’s spin is parallel to the nucleon’s spin, the valence down quark’s spin is not. In order to test the limit of QCD in describing the nucleon spin structure to a region beyond the 6 GeV kinematics, this measurement will be extended to a more energetic, “deeper” valence quark region using the upgraded JLab 11 GeV beam with a polarized 3 He target. Although the two topics of the proposed program appear to focus on different physics, for the upgraded JLab 11 GeV beam, both will utilize a new, yet-to-be-built large acceptance spectrometer, called “SoLID”. Once built, SoLID can be used for other topics such as using PVDIS on a proton target to measure the valence quark distributions, using PVDIS on a polarized target to measure new electro-weak interference structure functions of the nucleon, and semi-inclusive deep inelastic scattering experiments. SoLID will greatly enhance the exploration potential of JLab. The proposed program will first focus on completion of the 6 GeV PVDIS experiment, its data analysis and publishing physics results. This 6 GeV experiment will explore whether precision PVDIS measurements are feasible, will set limits on the hadronic physics effects, and will improve our knowledge on the quark neutral weak couplings, optimally by a factor of six. Starting early 2010, efforts will be spent on preparation for the 11 GeV program, focusing on simulations of SoLID, optimization and construction of the SoLID detector package, and studies of the polarized 3 He target and its improvements. Funding support for the whole program is requested here.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Update to the Generic Shielding Criteria

Generic shielding criteria have been employed at Fermilab to determine the shielding adequacy and to screen for areas which require more detailed analysis of beam loss events and are based on the calculations reported in technical report TM-1140. The calculations in that report were done 30 years ago using CASIM, a Monte Carlo program. CASIM uses the Hagedorn-Ranft to model inclusively hadronic interactions. It is valid in the energy range of 10 GeV to 20 TeV and has a lower momentum threshold of 300 MeV/c (47 MeV kinetic energy for nucleons). The goal of this study is to update the original soil shielding calculation with those estimated from the MARS code, which has a more robust and detailed physics model. Hadron-nuclear interactions are simulated with a combination of the modern theoretical models (CEM and LAQGSM) and up-to-date phenomenological models. All other processes of particle interactions with matter are described in MARS on the basis of the modern models and algorithms. MARS is valid for hadrons, leptons, photons and heavy ions with kinetic energy less than 100 TeV and greater than 1 keV (greater than 0.0215 eV for neutrons).

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Recent Cross-Section Results from MicroBooNE

MicroBooNE is a liquid argon time projection chamber in the Booster Neutrino Beam at Fermilab. The large event rate and 3 mm wire spacing of the detector provide high-statistics, precise-resolution imaging of neutrino interactions leading to low-threshold, high-efficiency event reconstruction with full angular coverage. As such, this is an ideal place to probe neutrino-argon interactions in the hundreds-of-MeV to few-GeV energy range, and to study the impact of nuclear effects through detailed measurements of hadronic final states. These proceedings present recent measurements of neutrino interactions in MicroBooNE, including inclusive charged-current interactions, neutral-pion production, and measurements of low-energy protons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Increased Ly α Opacity in White Dwarf Photospheres from Transient H − Resonances

The structure and emergent flux of hydrogen atmosphere white dwarfs depend on the opacity of the Lyα and Lyβ spectral lines. The opacity here is set by the strength and broadening of these lines; the latter is dictated by the far line wing, which is in the “quasi-static” limit of electron broadening, placing it in the incomplete collision regime, and describes the transient parts of electron and ion collisions. These transient stages of the collision form resonances: In the case of ions, they manifest as molecular resonances, while for electrons they are H − resonances, both of which can only be captured quantum-mechanically. Quantum-mechanical calculations have historically preserved only a handful of broadening terms that are most important near the center of the line. However, in the wings of the line, the previously neglected terms that describe the transient stages of the collision need to be included. This requirement arises because, in the line wings, the broadening from the 1s ground state, which is generally assumed to be extremely small compared to the broadening of the upper state, is no longer negligible within a quantum-mechanical model that takes into account exchange interactions. The inclusion of all the transient terms results in asymmetries and extra broadening. The increased broadening of Lyα increases the opacity at the energy where most of the flux leaves the star. The broader Lyα lines also impact the visible flux, raising it by an amount that exceeds previously estimated errors.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1976

Interaction between an elastic circular inclusion and two symmetrically placed collinear cracks

The paper investigates the fracture toughness of a flat large elastic cracked plate containing an elastic circular inclusion, using the plane stress crack-tip stress intensity factor as a criterion for fracture. In this plane stress geometry, each of the two collinear finite cracks is located on either side of the elastic circular inclusion and the geometry is subjected to uniform stresses at infinity. The analysis is based on the two-dimensional theory of elasticity by using the Muskhelishvili complex variable approach. Numerical calculations are reported for the case of simple tension normal to the crack direction and show the variation of the stress intensity factor with the configuration and elastic properties of the plate and the inclusion.

Hsu, Y. C.↗
NASA NTRS2017

The MERRA-2 Aerosol Reanalysis, 1980 Onward. Part II: Evaluation and Case Studies

The Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA-2) is NASA’s latest reanalysis for the satellite era (1980-present) using the Goddard Earth Observing System version 5 (GEOS-5) Earth system model. MERRA-2 provides several improvements over its predecessor (MERRA), including the inclusion of interactive aerosols for the entire period. In addition to assimilating bias-corrected Aerosol Optical Depth (AOD) from the Moderate Resolution Imaging Spectroradiometer (MODIS) on the Terra and Aqua satellites, it also includes the assimilation of bias-corrected AOD from Advanced Very High Resolution Spectroradiometer (AVHRR) instruments, Multi-angle Imaging SpectroRadiometer (MISR) AOD over bright surfaces, and ground-based Aerosol Robotic Network (AERONET) AOD. This paper is the second of a pair that summarizes our efforts to assess the quality of the MERRA-2 aerosol assimilation. In this study, we first follow previous work performed with version 1 of the MERRA Aerosol Reanalysis (MERRAero) using independent observations. The evaluation of MERRA-2 Absorption Aerosol Optical Depth (AAOD) and ultra-violet Aerosol Index (UV-AI) against the Ozone Monitoring Instrument (OMI) observations show good agreement, particularly over dusty regions where our previous efforts improved model aerosol optical properties. Next, we find that aerosol assimilation system improves the aerosol vertical structure when compared to estimates from the same version of the model without AOD assimilation. A similar conclusion is found for MERRA-2 aerosol surface fine particulate matter (PM (sub 2.5)). However, deficiencies in the forward model such as missing emissions noted during the MERRAero study still explain the MERRA-2 PM(sub 2.5) bias relative to observations over the United States. Finally, to illustrate successes and weaknesses of the AOD assimilation, we focus on the performance of the MERRA-2 aerosol system during several major aerosol events: the Mount Pinatubo eruption in 1991, a Saharan dust event and transportation over the Atlantic Ocean during April 2010, the Rim Fire of summer 2013 in California, and an extreme pollution event over China in January 2013. We conclude with a summary that points to best practices for utilizing the MERRA-2 aerosol reanalysis in future studies.

V Buchard↗
DOE OSTI2025

CCQE-like $\nu_{e}$ Selection in SBND using Convolutional Visual Network

Neutrinos from the Booster Neutrino Beam (BNB) at Fermilab interact with argon in a Liquid Argon Time Projection Chamber (LArTPC) differently based on their flavour. By examining the particles produced in a charged-current interaction, both the interaction type and the neutrino flavour can be inferred. The Short Baseline Near Detector has the largest neutrino-argon cross section data to date, motivating in-depth studies of various cross-section channels and topologies. This project aims to select electron neutrino quasi-elastic-like (QE-like) interactions in SBND using Convolutional Visual Network (CVN) scores. The CVN is a neural network that processes visual information from an event and assigns scores corresponding to its likelihood of being each interaction type. An inclusive study of electron neutrino charged current interactions using CVN has already been conducted. This analysis aims to build on this study, further utilizing CVN scores to isolate electron neutrino QE-like interactions characterized by the presence of an electron and one or more protons ($N > 0$) in the final state. The project s goal is to contribute to the overall cross-section measurement efforts within the SBN program at Fermilab.

Breen, Genevieve [Mt. Holyoke Coll.]↗
DOE OSTI2018

Both the N- and C- terminal regions of the Chlamydial inclusion protein D (IncD) are required for interaction with the pleckstrin homology domain of the ceramide transport protein CERT

Highlights: • Both the N- and C-termini of IncD are required for the CERT-IncD interaction. • IncD residues essential for the binding to CERT are conserved among Chlamydiaces. • IncD forms multiple oligomers composed of a dimeric unit. Chlamydia trachomatis is an obligate intracellular bacterium that replicates within a membranous compartment, the inclusion, in host cells. Its intracellular life cycle requires host sphingolipids, which are in part acquired through the ER-Golgi localized ceramide transport protein (CERT). The Chlamydia-encoded inclusion membrane protein IncD is composed of two closely linked long hydrophobic domains with their N- and C-termini exposed to the host cytosol. IncD binds directly to the pleckstrin homology (PH) domain of CERT, likely redirecting ceramide to the inclusion. The precise regions of IncD required for this interaction have not been delineated. Using co-transfection studies together with phylogenetic studies, we demonstrate that both the IncD N- and C-terminal regions are required for binding to the CERT PH domain and define key interaction residues. Native gel electrophoresis analysis demonstrates that the transmembrane region of IncD forms SDS-resistant but dithiothreitol-sensitive homodimers, which in turn can assemble to form higher order oligomers through additional N- and C-terminal domain contacts. IncD oligomerization may facilitate high affinity binding to CERT, allowing C. trachomatis to efficiently redirect host ceramide to the inclusion.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Decay of ultralight axion condensates

Axion particles can form macroscopic condensates, whose size can be galactic in scale for models with very small axion masses $m\sim10^{-22}$ eV, and which are sometimes referred to under the name of Fuzzy Dark Matter. Many analyses of these condensates are done in the non-interacting limit, due to the weakness of the self-interaction coupling of axions. We investigate here how certain results change upon inclusion of these interactions, finding a decreased maximum mass and a modified mass-radius relationship. Further, these condensates are, in general, unstable to decay through number-changing interactions. We analyze the stability of galaxy-sized condensates of axion-like particles, and sketch the parameter space of stable configurations as a function of a binding energy parameter. As a result, we find a strong lower bound on the size of Fuzzy Dark Matter condensates which are stable to decay, with lifetimes longer than the age of the universe.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗