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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Odd–Even Structural Sensitivity on Dynamics in Network-Forming Ionic Liquids

As a compelling case of sensitive structure–property relationship, an odd–even effect refers to the alternating trend of physical or chemical properties on odd/even number of repeating structural units. In crystalline or semicrystalline materials, such odd–even effects emerge as manifestations of differences in the periodic packing patterns of molecules. Therefore, due to the lack of long-range order, such an odd–even phenomenon is not expected for dynamic properties in amorphous state. Herein, we report the discovery of a remarkable odd–even effect of dynamical properties in the liquid phase. In a class of glass-forming diammonium citrate ionic liquids, using incoherent quasi-elastic neutron scattering measurements, we measured the dynamical properties including diffusion coefficient and rotational relaxation time. These directly measured molecular dynamics showed pronounced alternating trends with increased number of methylene (-CH2-) groups in the backbone. Meanwhile, the structure factor S(Q) showed no long-range periodic packing of molecules, while the pair distribution function G(r) revealed subtle differences in the local molecular morphology. The observed dynamical odd–even phenomenon in liquids showed that profound dynamical changes originate from subtle local structural differences.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Preliminary small-angle X-ray scattering and X-ray diffraction studies of the BTB domain of lola protein from Drosophila melanogaster

The Drosophila genome has several dozens of transcription factors (TTK group) containing ВТВ domains assembled into octamers. The LOLA protein belongs to this family. The purification, crystallization, and preliminary X-ray diffraction and small-angle X-ray scattering (SAXS) studies of the BTB domain of this protein are reported. The crystallization conditions were found by the vapor-diffusion technique. A very low diffraction resolution (8.7 Å resolution) of the crystals was insufficient for the determination of the threedimensional structure of the BTB domain. The SAXS study demonstrated that the BTB domain of the LOLA protein exists as an octamer in solution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1987

Particle acceleration at shocks - A Monte Carlo method

A Monte Carlo method is presented for the problem of acceleration of test particles at relativistic shocks. The particles are assumed to diffuse in pitch angle as a result of scattering off magnetic irregularities frozen into the fluid. Several tests are performed using the analytic results available for both relativistic and nonrelativistic shock speeds. The acceleration at relativistic shocks under the influence of radiation losses is investigated, including the effects of a momentum dependence in the diffusion coefficient. The results demonstrate the usefulness of the technique in those situations in which the diffusion approximation cannot be employed, such as when relativistic bulk motion is considered, when particles are permitted to escape at the boundaries, and when the effects of the finite length of the particle mean free path are important.

Kirk, J. G.↗
DOE OSTI2018

Enhanced efficiency of large-area dye-sensitized solar cells by light-scattering effect using multilayer TiO2 photoanodes

Highlights: • DSSCs with an active area of 100.6 cm{sup 2} and light-scattering layers are fabricated. • The light-scattering effect is shown to enhance the light absorption in the red part of the solar spectrum. • The light-scattering effect is more important than the dye adsorption capacity for TiO{sub 2} photoanodes with same thickness. • The highest power conversion efficiency of 7.52% has been obtained by the DSSC with optimized conditions. - Abstract: In order to reduce the usage of photoactive dye and improve light harvesting by the photoanode of dye-sensitized solar cells (DSSCs), TiO{sub 2} scatting layers were introduced. We have investigated the light-scattering effect in large-area DSSCs with an active area of 100.6 cm{sup 2} that contain diffusing or reflective layers. The result shows that the light-scattering effect is more important than the dye adsorption capacity for the light harvesting property of TiO{sub 2} photoanodes with same thickness, and the light-scattering effect is shown to enhance the light absorption in the red part of the solar spectrum. The highest power conversion efficiency of 7.52% has been obtained by the cell with optimized high dye adsorption layer and high light-scattering layer, which is 9.5% higher than that of the cell without the light-scattering layer (6.87%).

14 SOLAR ENERGY↗
NASA NTRS1981

Numerical study of solar flare particle propagation in the heliosphere

Numerical solutions are presented for the propagation of solar cosmic rays in interplanetary space, including the effects of pitch-angle scattering and adiabatic focusing. The intensity-time profiles can be well fitted by a simple radial spatial diffusion equation. For low-rigidity particles the radial mean free path so obtained is significantly larger than the mean free path calculated from the scattering coefficient due to the inapplicability of the diffusive approximation early in the event. The well-known discrepancy between the scattering mean free path and the theoretical predictions may be resolved by these calculations.

Gombosi, T. I.↗
NASA NTRS1993

A kinetic description of electron beam ejection from spacecraft

A model based on the Boltzmann kinetic equation describing electron beam ejection from spacecraft is presented. Results are shown for steady-state, beam-atmosphere interaction (BAI) and for beam-plasma interaction (BPI). The BPI considered is that of elastic scattering of beam electrons with strong, short-scale Langmuir turbulence. This mechanism has been suggested for prompt echoes of beam electrons observed in sounding rocket experiments. It is shown that the interaction is sufficiently strong to account for observations of back-scattered electrons at the beam accelerator energy. However, it is clear from observations that particles undergo diffusion in energy at a rate exceeding levels expected for BAI. Inelastic scattering in BPI must therefore also be important.

Khazanov, George V.↗
NASA NTRS1976

Nondiffusive propagation of cosmic rays in the solar system and in extragalactic radio sources

If charged particles are scattered by random magnetic fields while they propagate along the diverging lines of force of a spatially inhomogeneous guiding field, the diffusive mode of transport, which occurs when adiabatic focusing is weak compared to scattering, gives way to novel coherent modes when focusing becomes dominant. This paper begins with a nonmathematical discussion of the higher-order transport phenomena that underlie these modes, and goes on to explore some astrophysical implications of their existence. In an interplanetary context, one of the new modes, the supercoherent mode, corresponds exactly to the 'scatter-free' propagation of kilovolt solar-flare electrons. Moreover, quasi-diffusive propagation in the presence of moderately strong focusing offers an explanation of several poorly understood aspects of solar cosmic-ray events. On a much larger scale, focused transport provides an interpretation of many observed characteristics of extragalactic radio sources. In particular, their double structure is explained in terms of basic transport phenomena.

Earl, J. A.↗
NASA NTRS2015

An Innovative Concept for Spacebased Lidar Measurement of Ocean Carbon Biomass

Beam attenuation coefficient, c, provides an important optical index of plankton standing stocks, such as phytoplankton biomass and total particulate carbon concentration. Unfortunately, c has proven difficult to quantify through remote sensing. Here, we introduce an innovative approach for estimating c using lidar depolarization measurements and diffuse attenuation coefficients from ocean color products or lidar measurements of Brillouin scattering. The new approach is based on a theoretical formula established from Monte Carlo simulations that links the depolarization ratio of sea water to the ratio of diffuse attenuation Kd and beam attenuation C (i.e., a multiple scattering factor). On July 17, 2014, the CALIPSO satellite was tilted 30Âdeg off-nadir for one nighttime orbit in order to minimize ocean surface backscatter and demonstrate the lidar ocean subsurface measurement concept from space. Depolarization ratios of ocean subsurface backscatter are measured accurately. Beam attenuation coefficients computed from the depolarization ratio measurements compare well with empirical estimates from ocean color measurements. We further verify the beam attenuation coefficient retrievals using aircraft-based high spectral resolution lidar (HSRL) data that are collocated with in-water optical measurements.

Hu, Yongxiang↗
DOE OSTI2023

Electron Injection via Modified Diffusive Shock Acceleration in High-Mach-number Collisionless Shocks

The ability of collisionless shocks to efficiently accelerate nonthermal electrons via diffusive shock acceleration (DSA) is thought to require an injection mechanism capable of preaccelerating electrons to high enough energy where they can start crossing the shock front potential. We propose, and show via fully kinetic plasma simulations, that in high-Mach-number shocks electrons can be effectively injected by scattering in kinetic-scale magnetic turbulence produced near the shock transition by the ion Weibel, or current filamentation, instability. We describe this process as a modified DSA mechanism where initially thermal electrons experience the flow velocity gradient in the shock transition and are accelerated via a first-order Fermi process as they scatter back and forth. The electron energization rate, diffusion coefficient, and acceleration time obtained in the model are consistent with particle-in-cell simulations and with the results of recent laboratory experiments where nonthermal electron acceleration was observed. This injection model represents a natural extension of DSA and could account for electron injection in high-Mach-number astrophysical shocks, such as those associated with young supernova remnants and accretion shocks in galaxy clusters.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Nonadiabatic Effects on Defect Diffusion in Silicon-Doped Nanographenes

Single atom impurities in graphene, substitutional silicon defects in particular, have been observed to diffuse under electron beam irradiation. However, the relative importance of elastic and inelastic scattering in facilitating their mobility remains unclear. Here, we employ excited-state electronic structure calculations to explore potential inelastic effects, and find an electronically nonadiabatic excited-state silicon diffusion pathway involving “softened” Si–C bonding that presents an ~2 eV lower diffusion barrier than the ground-state pathway. Beam-induced transition rates to this state indicate that the excited-state pathway is accessible through irradiation of the defect site. However, even in the limit of fully elastic scattering, upward nonadiabatic transitions are also possible along the diffusion coordinate, increasing the diffusion barrier and further demonstrating the potential for electronic nonadiabaticity to influence beam-induced atomic transformations in materials. Additionally, we also propose some experimentally testable signatures of such excited-state pathways.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2012

Propagation of radiation in fluctuating multiscale plasmas. II. Kinetic simulations

A numerical algorithm is developed and tested that implements the kinetic treatment of electromagnetic radiation propagating through plasmas whose properties have small scale fluctuations, which was developed in a companion paper. This method incorporates the effects of refraction, damping, mode structure, and other aspects of large-scale propagation of electromagnetic waves on the distribution function of quanta in position and wave vector, with small-scale effects of nonuniformities, including scattering and mode conversion approximated as causing drift and diffusion in wave vector. Numerical solution of the kinetic equation yields the distribution function of radiation quanta in space, time, and wave vector. Simulations verify the convergence, accuracy, and speed of the methods used to treat each term in the equation. The simulations also illustrate the main physical effects and place the results in a form that can be used in future applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

MULTI-WAVELENGTH VIEW OF KILOPARSEC-SCALE CLUMPS IN STAR-FORMING GALAXIES AT z {approx} 2

This paper studies the properties of kiloparsec-scale clumps in star-forming galaxies at z {approx} 2 through multi-wavelength broadband photometry. A sample of 40 clumps is identified from Hubble Space Telescope (HST)/Advanced Camera for Surveys (ACS) z-band images through auto-detection and visual inspection from 10 galaxies with 1.5 < z < 2.5 in the Hubble Ultra Deep Field, where deep and high-resolution HST/WFC3 and ACS images enable us to resolve structures of z {approx} 2 galaxies down to the kiloparsec scale in the rest-frame UV and optical bands and to detect clumps toward the faint end. The physical properties of clumps are measured through fitting spatially resolved seven-band (BVizYJH) spectral energy distribution to models. On average, the clumps are blue and have similar median rest-frame UV-optical color as the diffuse components of their host galaxies, but the clumps have large scatter in their colors. Although the star formation rate (SFR)-stellar mass relation of galaxies is dominated by the diffuse components, clumps emerge as regions with enhanced specific star formation rates, contributing individually {approx}10% and together {approx}50% of the SFR of the host galaxies. However, the contributions of clumps to the rest-frame UV/optical luminosity and stellar mass are smaller, typically a few percent individually and {approx}20% together. On average, clumps are younger by 0.2 dex and denser by a factor of eight than diffuse components. Clump properties have obvious radial variations in the sense that central clumps are redder, older, more extincted, denser, and less active on forming stars than outskirt clumps. Our results are broadly consistent with a widely held view that clumps are formed through gravitational instability in gas-rich turbulent disks and would eventually migrate toward galactic centers and coalesce into bulges. Roughly 40% of the galaxies in our sample contain a massive clump that could be identified as a proto-bulge, which seems qualitatively consistent with such a bulge-formation scenario.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1989

New measurements of the far ultraviolet scattering properties of interstellar dust

An analysis is presented for the spectra of the diffuse ultraviolet background taken during shuttle flight STS-61C (January 1986). Eight regions of the sky were observed for approximately 20 minutes each, using a spectrograph designed specifically to perform measurements of the UV background. The field of view was 3.8 deg x 8 min, with imaging along the slit to confine stellar contamination. The instrument featured a shutter mechanism to measure internal background during flight, a low-scatter holographically ruled diffraction grating, photon counting microchannel plate detectors, through baffling, and a crystal window to further attenuate stray light. The spectra covered the range 1400 to 1850 A and was binned in 50 A bands. The procedure for substracting the contribution of stars too faint to be detected as discrete sources during the observations (in general this represents a small fraction of the total intensity detected except at the longest wavelengths). A radiative transfer model used to interpret the data and set confidence intervals on the relevant parameters is described. It was found that the continuum component of the diffuse ultraviolet background arises primarily from two sources. One source is scattering of starlight by interstellar dust with an albedo of about 12 percent and a relatively isotropic phase function. A second source consists of about 150 photons/cm/sec/ster/A of extragalactic light which is attenuated by the dust in the galaxy. Although emission features possibly associated with molecular H2 are detected in one look direction, fluorescence of H2 is not a major contributor to the diffuse UV background, at least at galactic latitudes greater than -10 degrees.

Hurwitz, Mark↗
NASA NTRS1989

Monte Carlo simulation of particle acceleration at astrophysical shocks

A Monte Carlo code was developed for the simulation of particle acceleration at astrophysical shocks. The code is implemented in Turbo Pascal on a PC. It is modularized and structured in such a way that modification and maintenance are relatively painless. Monte Carlo simulations of particle acceleration at shocks follow the trajectories of individual particles as they scatter repeatedly across the shock front, gaining energy with each crossing. The particles are assumed to scatter from magnetohydrodynamic (MHD) turbulence on both sides of the shock. A scattering law is used which is related to the assumed form of the turbulence, and the particle and shock parameters. High energy cosmic ray spectra derived from Monte Carlo simulations have observed power law behavior just as the spectra derived from analytic calculations based on a diffusion equation. This high energy behavior is not sensitive to the scattering law used. In contrast with Monte Carlo calculations diffusive calculations rely on the initial injection of supra-thermal particles into the shock environment. Monte Carlo simulations are the only known way to describe the extraction of particles directly from the thermal pool. This was the triumph of the Monte Carlo approach. The question of acceleration efficiency is an important one in the shock acceleration game. The efficiency of shock waves efficient to account for the observed flux of high energy galactic cosmic rays was examined. The efficiency of the acceleration process depends on the thermal particle pick-up and hence the low energy scattering in detail. One of the goals is the self-consistent derivation of the accelerated particle spectra and the MHD turbulence spectra. Presumably the upstream turbulence, which scatters the particles so they can be accelerated, is excited by the streaming accelerated particles and the needed downstream turbulence is convected from the upstream region. The present code is to be modified to include a better description of particle scattering (pitch-angle instead of hard-sphere) and as iterative procedure for treating the self-excitation of the MHD turbulence.

Campbell, Roy K.↗
DOE OSTI2016

Strain induced novel quantum magnetotransport properties of topological insulators

Recent theoretical and experimental researches have revealed that the strained bulk HgTe can be regarded as a three-dimensional topological insulator (TI). Motivated by this, we explore the strain effects on the transport properties of the HgTe surface states, which are modulated by a weak 1D in-plane electrostatic periodic potential in the presence of a perpendicular magnetic field. We analytically derive the zero frequency (dc) diffusion conductivity for the case of quasielastic scattering in the Kubo formalism, and find that, in strong magnetic field regime, the Shubnikov–de Haas oscillations are superimposed on top of the Weiss oscillations due to the electric modulation for null and finite strain. Furthermore, the strain is shown to remove the degeneracy in inversion symmetric Dirac cones on the top and bottom surfaces. This accordingly gives rise to the splitting and mixture of Landau levels, and the asymmetric spectrum of the dc conductivity. These phenomena, not known in a conventional 2D electron gas and even in a strainless TI and graphene, are a consequence of the anomalous spectrum of surface states in a fully stained TI. These results should be valuable for electronic and spintronic applications of TIs, and thus we fully expect to see them in the further experiment. - Highlights: • The strain removes the degeneracy in inversion symmetric Dirac cones. • The strain gives rise to the splitting and mixture of the Landau levels. • The strain leads to the asymmetric spectrum of the dc conductivity. • Shubnikov de Haas oscillations are shown to be superimposed on Weiss oscillations. • Interplay between strain and electric field causes different occupancy of TI states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Hot Carrier and Surface Recombination Dynamics in Layered InSe Crystals

Layered indium selenide (InSe) is a van der Waals solid that has emerged as a promising material for high-performance ultrathin solar cells. The optoelectronic parameters that are critical to photoconversion efficiencies, such as hot carrier lifetime and surface recombination velocity, are however largely unexplored in InSe. Here, these key photophysical properties of layered InSe are measured with femtosecond transient reflection spectroscopy. The hot carrier cooling process is found to occur through phonon scattering. The surface recombination velocity and ambipolar diffusion coefficient are extracted from fits to the pump energy-dependent transient reflection kinetics using a free carrier diffusion model. The extracted surface recombination velocity is approximately an order of magnitude larger than that for methylammonium lead-iodide perovskites, suggesting that surface recombination is a principal source of photocarrier loss in InSe. The extracted ambipolar diffusion coefficient is consistent with previously reported values of InSe carrier mobility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Comparative microscopic dynamics in a room-temperature ionic liquid confined in carbon pores characterized by reversible and irreversible ion immobilization

In search for the origin of irreversible ion immobilization under applied electric potential recently reported for a prototypical room-temperature ionic liquid electrolyte, [emim][Tf 2 N], confined in 1.5 nm carbon pores, here we compare the microscopic dynamics of cations in [emim][Tf 2 N] in the 1.5 nm and 6.7 nm carbon pores; in the latter, ion immobilization under applied electric potential is reversible. Using quasielastic neutron scattering, we find that the cation translational diffusivity is reasonably well defined on at least a nanometer length scale in the 6.7 nm pores, but not the 1.5 nm pores. Severely impeded microscopic dynamics of the confined electrolyte may be one of the factors differentiating the 1.5 nm pores from their larger counterparts and contributing to the irreversible immobilization of ions under applied electric potential.

Mamontov, Eugene↗
DOE OSTI2020

Shape fluctuations and optical transition of He 2 * excimer tracers in superfluid He 4

Metastable He$_{2}^{*}$ excimer molecules have been utilized as tracer particles of the normal component in superfluid $^4$He (He II) which can be imaged via laser-induced fluorescence. These excimer molecules form tiny bubbles in He II and can bind to quantized vortices at sufficiently low temperatures, thereby allowing for direct visualization of vortex dynamics in an inviscid superfluid. However, the $a^{3}\Sigma^+_{u}$${\rightarrow}$$c^{3}\Sigma^+_{g}$ optical absorption line, which is responsible for the fluorescence imaging of the He$_{2}^{*}$ molecules, is controlled by fluctuations on the bubble shape, and its exact line profile is not known at low temperatures. In this paper, we present a bubble model for evaluating the surface fluctuation eigenmodes of the excimers in He II. The line profile of the $a^{3}\Sigma^+_{u}{\rightarrow}c^{3}\Sigma^+_{g}$ transition is calculated at different temperatures by considering both the zero-point and thermal fluctuations on the bubble shape. We show that, as the temperature drops from 2~K to 20 mK, the peak absorption strength is enhanced by a factor of about five, accompanying a blueshift of the peak location by about 2 nm. A double-peak line profile due to the rotational levels of the molecular core can be resolved. This bubble model also allows us to evaluate the stiffness of the He$_{2}^{*}$ bubbles and hence their diffusion constant in He II due to scattering off thermal phonons. Our results will aid the design of future experiments on imaging quantized vortices in He II using He$_{2}^{*}$ tracers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗