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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Phonon-Assisted Ballistic Current from First-Principles Calculations

The bulk photovoltaic effect (BPVE) refers to current generation due to illumination by light in a homogeneous bulk material lacking inversion symmetry. In addition to the intensively studied shift current, the ballistic current, which originates from asymmetric carrier generation due to scattering processes, also constitutes an important contribution to the overall kinetic model of the BPVE. In this Letter, we use a perturbative approach to derive a formula for the ballistic current resulting from the intrinsic electron-phonon scattering in a form amenable to first-principles calculation. We then implement the theory and calculate the ballistic current of the prototypical BPVE material BaTiO 3 using quantum-mechanical density functional theory. The magnitude of the ballistic current is comparable to that of the shift current, and the total spectrum (shift plus ballistic) agrees well with the experimentally measured photocurrents. Furthermore, we show that the ballistic current is sensitive to structural change, which could benefit future photovoltaic materials design.

14 SOLAR ENERGY↗
DOE OSTI2022

Neutrino interaction measurements with the MicroBooNE and ArgoNeuT liquid argon time projection chambers

Abstract Precise modeling of neutrino interactions on argon is crucial for the success of future experiments such as the Deep Underground Neutrino Experiment (DUNE) and the Short-Baseline Neutrino (SBN) program, which will use liquid argon time projection chamber (LArTPC) technology. Argon is a large nucleus, and nuclear effects—both on the initial and final-state particles in the interaction—are expected to be large in neutrino–argon interactions. Therefore, measurements of neutrino scattering cross sections on argon will be of particular importance to future DUNE and SBN oscillation measurements. This article presents a review of neutrino–argon interaction measurements from the MicroBooNE and ArgoNeuT collaborations, using two LArTPC detectors that have collected data in the NuMI and Booster Neutrino Beams at Fermilab. Measurements are presented of charged-current muon neutrino scattering in the inclusive channel, the ‘0 $$\pi $$ π ’ channel (in which no pions but some number of protons may be produced), and single pion production (including production of both charged and neutral pions). Measurements of electron neutrino scattering are presented in the form of $$\nu _e+\bar{\nu }_e$$ ν e + ν ¯ e inclusive scattering cross sections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1984

Magnetospheric ions and electrons in the distant magnetosheath at about 50 and 180 earth radii - ISEE-3 observations

Energetic particle data were obtained in the dawn magnetosheath at about 50 earth radii (ER), analyzed, and compared with data taken at 180 ER. Both data sets were acquired during the ISEE-3 geotail mission. The results of analyses of the 16 sec time profiles of 32 and 130 keV protons, 75-115 keV electrons, and some of the 30-36 keV proton angular distributions (PAD) are presented. No temporal dispersions were detected in the particle bursts, implying instead a spatial dispersion. The particles filled flux tubes of 6 ER, with the energetic electrons being beamed along magnetic field lines. PADs displayed anisotropy symmetric relative to the magnetic field. The electrons were not detected at 180 ER. The phenomena are modeled as flux tubes connected to the magnetotail magnetic field in the near-earth magnetopause. The particles leak out along connected field lines. Lion roars scatter the electrons, which escape into interplanetary space. Ions, however, may carry their intensity out to 200 ER, a factor which awaits verification by further data.

Scholer, M.↗
DOE OSTI2021

Probing molecular vibrations by monochromated electron microscopy

Chemical bonds fundamentally determine molecular properties and are prevalently characterized by various spectroscopic means such as infrared and Raman spectroscopies. However, the spatial resolution of these conventional approaches is insufficient to reveal nanoscale features. Recently, monochromated electron energy-loss spectroscopy (EELS) in the transmission electron microscope achieved a groundbreaking energy resolution of a few millielectronvolts and enabled direct observation of molecular vibrational spectrum with unmatched spatial resolution. Vibrational EELS is widely applicable to both organic and inorganic matter in the solid state or liquid phase. In this study, we introduce recent advancements and key concepts of this method, compare with other spectroscopic techniques, and discuss future developments for potential applications in research fields centered on catalysts, polymers, and live cells.

Vibrational Spectroscopy↗
NASA NTRS1985

Bremsstrahlung in the scattering of low-energy electrons by neutral atomic systems

By elementary methods, the cross section for electron-atom and electron-molecule bremsstrahlung is computed in the limit when the incident electron energy is much less than Ry. The procedure employs the classical soft-photon emission probability formula for general (h/2pi)(omega), yielding a simple expression for the bremsstrahlung cross section in terms of the total elastic scattering cross section. The validity of the method is discussed, and results are compared with more elaborate and accurate calculations. Comparison is made with ('free-free') opacity calculations for the associated process at the temperature (6300 K) of the solar atmosphere. For chi sub omega = (h/2pi)(omega)/kT = 1, the computed absorption coefficient is within 2, 7, and 12 percent of accurate calculations for scatterings by H, He, and H2, respectively. The general dependence of the opacity on chi sub omega is described well by the simple formula, although the error is larger for higher chi sub omega; it is suggested that the inaccuracy at high frequencies is due to the failure of the soft-photon approximation.

Gould, R. J.↗
DOE OSTI2020

Deeply Virtual Compton Scattering at Hall A, Jefferson Lab

The Standard Model of particle physics de?nes quarks and leptons as the basic building blocks of all matter. The interaction between them are mediated by force carrying gauge bosons. Quantum Chromo Dynamics (QCD), the theory that explains the strong interaction is still not complete enough to derive the physical observables of a Quark-Gluon system from the fundamental degrees of freedom of its constituents. Experimentally observable single particle densities provide important insights into our understanding of the quark-gluon system and hence help fill in the gaps of QCD. Generalized Parton Distributions (GPDs) provide simultaneous information of both spacial and longitudinal momentum distributions of constituents of a quark-gluon system. Deeply Virtual Compton Scattering (DVCS) is understood to be the simplest and cleanest process to access GPDs. Even though the exclusive DVCS is simple to understand, the experimental process however, is complex with the Bethe-Heitler and e + p ? e + ? + N? being in the mix of the electron proton scattering e+p ? e+?+X. Over the years, 3 generations of DVCS experiments have been conducted in the Experimental Hall-A of Thomas Jefferson National Accelerator Facility (JLab). This thesis presents the extraction of DVCS cross section in 9 total kinematic points from the 3rd generation experiment (DVCS3) conducted after the 12 GeV upgrade of the Continuous Electron Beam Accelerator Facility (CEBAF) of JLab during Fall 2014 - Fall 2016.

Hashir Rashad, Mohamed Nuhman↗
DOE OSTI2021

$\mathrm{Perturbo}$: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics

We report Perturbo is a software package for first-principles calculations of charge transport and ultrafast carrier dynamics in materials. The current version focuses on electron–phonon interactions and can compute phonon-limited transport properties such as the conductivity, carrier mobility and Seebeck coefficient. It can also simulate the ultrafast nonequilibrium electron dynamics in the presence of electron–phonon scattering. Perturbo uses results from density functional theory and density functional perturbation theory calculations as input, and employs Wannier interpolation to reduce the computational cost. It supports norm-conserving and ultrasoft pseudopotentials, spin–orbit coupling, and polar electron–phonon interactions for bulk and 2D materials. Hybrid MPI plus OpenMP parallelization is implemented to enable efficient calculations on large systems (up to at least 50 atoms) using high-performance computing. Taken together, Perturbo provides efficient and broadly applicable ab initio tools to investigate electron–phonon interactions and carrier dynamics quantitatively in metals, semiconductors, insulators, and 2D materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1987

Temperature dependence (4K to 300K) of the electrical resistivity of methane grown carbon fibers

Experimental measurements of the electrical resistivity vs temperature of methane vapor grown carbon fibers are presented. The fibers are heat treated from 1100 C (as-grown) to 3000 C. Data are fit to a standard two band model, which yields values for boundary scattering limited electron mobility, in-plane mean free path, energy band overlap, and total carrier density. The data are also fit to an ellipsoidal band model, where data fits yield effective masses, band overlap, Fermi velocity, phonon contributions to scattering, and ionized impurity scattering rates.

Woollam, John A.↗
DOE OSTI2022

Measurement of the Deeply Virtual Compton Scattering Cross Section from the Proton at 10.6 GeV using the CLAS12 Detector

Deeply Virtual Compton Scattering (DVCS) is an exclusive process that produces a real photon when a lepton scatters from a quark inside a nucleon or a nucleus. Measurement of the DVCS cross section enables the study of the Generalized Parton Distributions (GPD), which plays a central role in understanding the QCD dynamics inside a hadron. Thus, the quark and gluon origin of the nucleon spin and mass can be probed and three-dimensional images of the target nucleon or nucleus can be realized. This thesis presents a cross section analysis of DVCS from the proton in the presence of its background, Bethe-Heitler (BH) process. The CEBAF Large Acceptance Spectrometer for operation at 12 GeV beam energy (CLAS12) collaboration has taken electron-proton scattering data in fall 2018 using a liquid hydrogen target and the 10.6 GeV polarized electron beam from the Continuous Electron Beam Accelerator Facility (CEBAF). The CLAS12 detector is a nearly hermetic fixed-target detector, located in Hall B, Jefferson Lab at Newport News, Virginia. The experimentally determined BH-DVCS cross section is in good agreement with a phenomenological-model based theoretical prediction. The kinematic dependence of the cross section is reported over a wide range. The short-term plan to utilize the results presented here for a thorough tomography study and the long-term plan for GPD studies at future facilities such as the Electron-Ion Collider (EIC) are discussed.

Lee, Sangbaek↗
DOE OSTI2024

Measurement of Thomson-scattering spectra with continuous angular resolution (invited)

Here, a novel Thomson-scattering diagnostic with continuous angular resolution over a span of 120° was developed for the characterization of plasmas produced at the Omega Laser Facility. Spectrally resolving light scattered from electron plasma wave features as a function of emission angle provides a means to efficiently probe a large range of plasma frequencies and k vectors. Together, these spectra contain critical constraints on the plasma-physics models used to interpret the data and enable experimental measurements of the electron-velocity distribution function over several orders of magnitude without assumptions about its mathematical form. Major components of the instrument include (1) a reflective collection objective that gathers light over a range of 120° × 12°; (2) a spatial-filter image relay for measurement localization; (3) cylindrical optics for producing a line image of the collection aperture; (4) a transmission grating spectrometer; and (5) a time-gated, image-intensified camera. Thomson-scattered light collected from an ~(50 – μM) 3 volume of plasma is recorded with 0.8-nm spectral and 1° angular resolution. Initial experiments examined the properties of the electron-velocity distribution in gas-jet-produced plasmas in the presence of heating via inverse bremsstrahlung absorption.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Substorm Driven Chorus Waves: Decay Timescales and Implications for Pulsating Aurora

Abstract Energetic electron precipitation (EEP) associated with pulsating aurora can transfer greater than 30 keV electrons from the outer radiation belt region into the upper atmosphere and can deplete atmospheric ozone via collisions that produce NOx and HOx molecules. Our knowledge of exactly how EEP occurs is incomplete. Previous studies have shown that pitch angle scattering between electrons and lower‐band chorus waves can cause pulsating aurora associated with EEP and that substorms play an important role. In this work, we quantify the timescale of chorus wave decay following substorms and compare that to previously determined timescales. We find that the chorus decay e‐folding time varies based on magnetic local time (MLT), magnetic latitude, and wave frequency. The shortest timescales occur for lower‐band chorus in the 21 to 9 MLT region and compares, within uncertainty, to the energetic pulsating aurora timescale of Troyer et al. (2022, https://doi.org/10.3389/fspas.2022.1032552 ) for energetic pulsating aurora. We are able to further support this connection by modeling our findings in a quasi‐linear diffusion simulation. These results provide observations of how chorus waves behave after substorms and add additional statistical evidence linking energetic pulsating aurora to substorm driven lower‐band chorus waves.

Troyer, Riley N.↗
NASA NTRS1974

Free-free absorption of infrared radiation in collisions of electrons with neutral rare-gas atoms

A relationship between the inverse bremsstrahlung absorption cross section and the electron neutral momentum transfer cross section has been utilized to determine the infrared free-free continuum absorption coefficient for the negative ions of helium, neon, argon, krypton, and xenon. The values of the momentum transfer cross section for this calculation have been obtained from experimental measurements. Analytical expressions for the absorption coefficient have also been developed. From the results of this calculation, it is possible to determine the absorption coefficient per unit electron density per neutral atom for temperatures in the range from 2500 to 25,000 K. The results are compared with those from tabulations of previous calculations and those computed from theoretical values of the phase shifts for the elastic scattering of electrons by neutral atoms.

Stallcop, J. R.↗
DOE OSTI2024

Longitudinal Solid P Longitudinal Solid Polarized Target for CL get for CLAS12 and Study of Spin AS12 and Study of Spin Structure of Nucleons

A suite of experiments measuring target-spin observables in electron-nucleon scattering (dubbed Run Group C) was conducted at Jefferson Lab's Hall B in Newport News, VA with a new polarized nuclear target known as 'APOLLO' (Ammonia POLarized LOngitudinally). This innovative target is engineered to seamlessly integrate with the advanced 12GeV CEBAF (Continuous Electron Beam Accelerator Facility) accelerator and the Hall B CLAS12 (12 GeV CEBAF Large Acceptance Spectrometer) detector array. The 'APOLLO' target harnesses the power of Dynamic Nuclear Polarization (DNP) to achieve longitudinal polarization of solid ammonia, thereby creating a net polarization in both protons (NH3) and deuterons (ND3). These samples are subjected to a 5 Tesla magnetic field produced by the CLAS12 spectrometer central solenoid, cooled to 1 K using helium evaporation, and subsequently exposed to microwave radiation at a frequency of 140 GHz. This project was made possible through a collaborative partnership between the Jefferson Lab Target Group, Old Dominion University, University of Virginia, Christopher Newport University, and the CLAS Collaboration. Integrating the APOLLO target into CLAS12 presented unique challenges because of its specific spatial and dimensional constraints. This dissertation will highlight the innovative solutions developed to address these challenges, including the creation of a new target material transport system, the incorporation of superconducting magnetic correction coils, and the development of a customized Nuclear Magnetic Resonance (NMR) system. In addition to a detailed description of the development and operation of APOLLO, and an overview of RGC, this document also describes the global data fitting of proton asymmetries in the Deep Inelastic scattering (DIS) and the Resonance regions, and it offers insights into the comprehensive analysis of target polarization data.

Pandey, Pushpa↗
DOE OSTI2024

Determination of α lamellae orientation in a β-Ti alloy using electron backscatter diffraction

The spatial orientation of α lamellae in a metastable β-Ti matrix of Timetal LCB (Ti–6.8 Mo–4.5 Fe–1.5 Al in wt%) was examined and the orientation of the hexagonal close-packed α lattice in the α lamella was determined. For this purpose, a combination of methods of small-angle X-ray scattering, scanning electron microscopy and electron backscatter diffraction was used. The habit planes of α laths are close to {111} β , which corresponds to (1$\bar3$20) α in the hexagonal coordinate system of the α phase. The longest α lamella direction lies approximately along one of the $\langle$110$\rangle$ β directions which are parallel to the specific habit plane. Taking into account the average lattice parameters of the β and α phases in aged conditions in Timetal LCB, it was possible to index all main axes and faces of an α lath not only in the cubic coordinate system of the parent β phase but also in the hexagonal system of the α phase.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Effective masses, relaxation times, and carrier mobilities in some chloride intercalants of graphite

The effective masses, carrier scattering times and carrier mobilities have been measured in selected graphite intercalation compounds using the Shubnikov-de Haas effect at a series of temperatures between 4 and 50 K. Effective masses are less than or equal to 0.1 of the free-electron mass, scattering times are about 10 to the -13th/s and carrier mobilities are on the order of 10,000 sq cm/V s.

Woollam, J. A.↗
NASA NTRS1983

Electron impact excitation from a 1 Delta g state of molecular oxygen

First measurements of electron impact excitation on the O2 a delta-one sub g metastable state to a higher bound state, pi-one sub u, is reported. The data were taken at an incident electron energy of 500 eV and scattering angles of 0 deg to 15 deg. A superelastic electron scattering experiment was performed on the pure oxygen target gas in order to establish the composition of the discharged oxygen and to confirm the existence of delta-one sub g molecules in the interaction region. The electron-impact energy loss spectrum obtained is shown. The electronic assignment of the upper state which produces the vibrational structure was determined to be pi-one sub u by examining the potential energy curves of O2 and applying the electric dipole selection rules. The relative line intensities were obtained and used to determine the Morse potential for the pi-one sub u state.

Khakoo, M. A.↗
DOE OSTI2021

Searching for millicharged particles produced in cosmic-ray air showers

Particles with small electric charges can be produced abundantly in extensive air-showers, generated from the collisions of cosmic rays with the earth's atmosphere. These millicharged particles can leave their imprints at underground experiments via scattering-off electrons. In this report, we present updated constraints using low energy data from Super-Kamiokande, and the XENON1T experiment. Moreover, we provide new sensitivity projections for millicharged particles in the future JUNO neutrino observatory, and discuss different search strategies including both, single-scattering events, and multiple-energy-deposition traces.

79 ASTRONOMY AND ASTROPHYSICS↗