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DOE OSTI2013

Morphological Characterization of DMPC/CHAPSO Bicellar Mixtures: A Combined SANS and NMR Study

Spontaneously forming structures of a system composed of dimyristoyl phosphatidylcholine (DMPC) and 3-[(3-cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate (CHAPSO) were studied by small-angle neutron scattering (SANS), 31 P NMR, and stimulated echo (STE) pulsed field gradient (PFG) 1 H NMR diffusion measurements. Charged lipid dimyristoyl phosphatidylglycerol (DMPG) was used to induce different surface charge densities. The structures adopted were investigated as a function of temperature and lipid concentration for samples with a constant molar ratio of long-chain to short-chain lipids (=3). In the absence of DMPG, zwitterionic bicellar mixtures exhibited a phase transition from discoidal bicelles, or ribbons, to multilamellar vesicles either upon dilution or with increased temperature. CHAPSO-containing mixtures showed a higher thermal stability in morphology than DHPC-containing mixtures at the corresponding lipid concentrations. In the presence of DMPG, discoidal bicelles (or ribbons) were also found at low temperature and lower lipid concentration mixtures. At high temperature, perforated lamellae were observed in high concentration mixtures ( ≥ 7.5 wt %) whereas uniform unilamellar vesicles and bicelles formed in low-concentration mixtures ( ≤ 2.5 wt %), respectively, when the mixtures were moderately and highly charged. Lastly, from the results, spontaneous structural diagrams of the zwitterionic and charged systems were constructed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Single-defect phonons imaged by electron microscopy

Crystal defects affect the thermal and heat-transport properties of materials by scattering phonons and modifying phonon spectra. To appreciate how imperfections in solids influence thermal conductivity and diffusivity, it is thus essential to understand phonon–defect interactions. Sophisticated theories are available to explore such interactions, but experimental validation is limited because most phonon-detecting spectroscopic methods do not reach the high spatial resolution needed to resolve local vibrational spectra near individual defects. In this paper, we demonstrate that space- and angle-resolved vibrational spectroscopy in a transmission electron microscope makes it possible to map the vibrational spectra of individual crystal defects. We detect a red shift of several millielectronvolts in the energy of acoustic vibration modes near a single stacking fault in cubic silicon carbide, together with substantial changes in their intensity, and find that these changes are confined to within a few nanometres of the stacking fault. These observations illustrate that the capabilities of a state-of-the-art transmission electron microscope open the door to the direct mapping of phonon propagation around defects, which is expected to provide useful guidance for engineering the thermal properties of materials.

42 ENGINEERING↗

DOE OSTI2023

Characterizing the intracluster light over the redshift range 0.2 < z < 0.8 in the DES-ACT overlap

ABSTRACT We characterize the properties and evolution of bright central galaxies (BCGs) and the surrounding intracluster light (ICL) in galaxy clusters identified in the Dark Energy Survey and Atacama Cosmology Telescope Survey (DES-ACT) overlapping regions, covering the redshift range 0.20 < z < 0.80. Over this redshift range, we measure no change in the ICL’s stellar content (between 50 and 300 kpc) in clusters with log10(M200m,SZ/M⊙) >14.4. We also measure the stellar mass–halo mass (SMHM) relation for the BCG+ICL system and find that the slope, β, which characterizes the dependence of M200m,SZ on the BCG+ICL stellar mass, increases with radius. The outskirts are more strongly correlated with the halo than the core, which supports that the BCG+ICL system follows a two-phase growth, where recent growth (z < 2) occurs beyond the BCG’s core. Additionally, we compare our observed SMHM relation results to the IllustrisTNG300-1 cosmological hydrodynamic simulations and find moderate qualitative agreement in the amount of diffuse light. However, the SMHM relation’s slope is steeper in TNG300-1 and the intrinsic scatter is lower, likely from the absence of projection effects in TNG300-1. Additionally, we find that the ICL exhibits a colour gradient such that the outskirts are bluer than the core. Moreover, for the lower halo mass clusters (log10(M200m,SZ/M⊙) < 14.59), we detect a modest change in the colour gradient’s slope with lookback time, which combined with the absence of stellar mass growth may suggest that lower mass clusters have been involved in growth via tidal stripping more recently than their higher mass counterparts.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Direct measurement of electron heating in electron-only reconnection in a laboratory mini-magnetosphere

We report on the experimental observation of electron heating in electron-only magnetic reconnection in laser-driven laboratory mini-magnetosphere on the Large Plasma Device (LAPD) at the University of California, Los Angeles. In this experiment, a fast-flowing plasma impacts a pulsed magnetic dipole embedded within LAPD’s magnetized ambient plasma, creating an ion-scale magnetosphere and driving electron-only magnetic reconnection between the background and dipole field lines. The electron velocity distribution is measured across the reconnection region using noncollective Thomson scattering, enabling determination of electron temperature and density. Significant electron heating is observed in the electron diffusion region, increasing from an initial temperature of 1.8 to 9.5 eV, corresponding to a 40% local conversion of Poynting flux into electron enthalpy flux. Particle-in-cell simulations that provide insights into the heating mechanisms are also presented.

Rovige, Lucas [Department of Physics and Astronomy↗

DOE OSTI2015

Phonon focusing and temperature dependences of thermal conductivity of silicon nanofilms

The effect of phonon focusing on the anisotropy and temperature dependences of the thermal conductivities of silicon nanofilms is analyzed using the three-mode Callaway model. The orientations of the film planes and the directions of the heat flux for maximal or minimal heat removal from silicon chip elements at low temperatures, as well as at room temperature, are determined. It is shown that in the case of diffuse reflection of phonons from the boundaries, the plane with the (100) orientation exhibits the lowest scattering ability (and the highest thermal conductivity), while the plane with the (111) orientation is characterized by the highest scattering ability (and the lowest thermal conductivity). The thermal conductivity of wide films is determined to a considerable extent by the orientation of the film plane, while for nanowires with a square cross section, the thermal conductivity is mainly determined by the direction of the heat flux. The effect of elastic energy anisotropy on the dependences of the thermal conductivity on the geometrical parameters of films is analyzed. The temperatures of transition from boundary scattering to bulk relaxation mechanisms are determined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1976

Disintegration phenomena in Comet West

Two peculiarities of Comet West, the multiple splitting of the nucleus as seen in telescope observations and the complex structure of the dust tail, are discussed. A method of analysis based on the premise that the observed rate of separation of a fragment from the principal nucleus is determined by the difference in effective solar attraction acting on the bodies is applied to investigate the motion of the four fragments that separated from the nucleus of Comet West. The predicted motion of the fragments is in good agreement with available observations. It is suggested that the 'synchronic' bands of the dust tail consist of tiny fragments from relatively large particles that burst after release from the comet. The unusual orientation of these bands and their high surface brightness relative to the diffuse tail are explained by a sudden increase in the particle acceleration and in the total scattering surface as the result of the disintegration of the larger particles.

Sekanina, Z.↗

NASA NTRS1978

Two-stream theory of spectral reflectance of snow

Spectral reflectance of snow under diffuse illumination is studied using the two-stream approximation of the radiative transfer equation. The scattering and absorption within the snowcover due to the randomly distributed ice grains are characterized by the single scattering albedo and anisotropic phase function. Geometric optics calculations are used to relate the scattering and absorption parameters to grain size and density of snow. Analytical expressions for the intensity within the snowpack and the asymptotic flux extinction coefficient are also obtained. Good agreement is shown between the theory and available experimental data on visible and near-infrared reflectance and asymptotic flux extinction coefficient. The theory also may be used to explain the observed effect of aging on the snow reflectance.

Choudhury, B. J.↗

NASA NTRS1979

Two-stream theory of reflectance of snow

Spectral reflectance of snow under diffuse illumination is studied using the two-stream approximation of the radiative transfer equation. The scattering and absorption parameters of the radiative transfer equation - the single scattering albedo, the optical depth, and the integrated phase function are obtained from the grain size and density of snow. Analytical expressions for the intensity within the snowpack, the reflectance, and the asymptotic flux extinction coefficient, are given. Good agreement is shown between the theory and available experimental data on visible and near-infrared reflectance, and the asymptotic flux extinction coefficient. The theory may also be used to explain the observed effect of aging on the snow reflectance.

Choudhury, B. J.↗

NASA NTRS1980

Shield topology in lightning transient control

A formalism in which the interaction of a system with an electromagnetic source is described by sets of scattering, penetrations, and propagation functions is reviewed and interpreted in the context of the lightning interaction problem. In this formalism, the system is decomposed into simple volumes separated by closed shield surfaces. These surfaces are nested and interconnected to produce higher levels of shielding and subvolumes within a given level. The interaction analysis uses scattering theory to define current and charge densities on the shield surface in conjunction with the diffusion, apertures, and transmission line analysis to define penetration through shield imperfections and propagation within the protected volume.

Vance, E. F.↗

NASA NTRS1986

Time-dependent coronal shock acceleration of energetic solar flare particles

A global time-dependent model is presented for the coronal and interplanetary shock acceleration and propagation of energetic solar flare particles. The calculations are carried out to help prove that coronal shock acceleration of solar flare particles is responsible for energetic solar flare event data gathered in interplanetary space. The model is based on the theory of diffusive shock acceleration, and requires particle speeds to be much greater than bulk velocities. Also, sufficient scattering must occur upstream and downstream of the shock for the particle scattering mean free path to be smaller than the characteristic scale lengths, which causes the same particles to encounter the shock repeatedly. A spherically symmetric shock wave is assumed, which leads to the same emission configuration for impulsively and monoenergetically emitted particles. Consideration is given to acceleration by compression at the shock front, adiabatic deceleration in the divergent downstream flow, the temporal evolution of the shock and the three-dimensional geometry of the corona. The model is used to generate normalized proton omnidirectional distributions at 1 AU and at the shock front. The spectral exhibit trends similar to those in observational data, especially proton acceleration times and the proton distribution profiles at 1 AU.

Lee, M. A.↗

NASA NTRS1986

Multiple scattering of laser beams in dense hydrosols

The multiple scattering of laser beams is usually described within the framework of small-angle scattering theory. The validity of this approximation as well as improvements due to the incorporation of diffusion theory in the calculations were studied.

Zardecki, A.↗

NASA NTRS1991

Comptonization of gamma rays by cold electrons

An analytic method is developed for calculating the emergent spectrum of gamma-rays and X-rays scattered in a homogeneous medium with low-temperature electrons. The Klein-Nishina corrections of the scattering cross section and absorption processes are taken in account. The wavelength relaxation and the spatial diffusion problems are solved separately, and the emergent spectrum is calculated by convolving the evolution function of the spectrum in an infinite medium with the photon luminosity resulting from the spatial diffusion in a finite sphere. The analytic results are compared with that of Monte Carlo calculations and it is concluded that the analytic result is quite accurate.

Xu, Yueming↗

NASA NTRS1992

Modeling surface solar irradiance for satellite applications on a global scale

An early version of a physical model was modified and expanded to derive surface solar irradiance from satellite observations. The model is based on radiative transfer theory, and can produce both direct and diffuse spectral components in the 0.2-4.0-micron interval. Attention is given to the absorption and scattering processes in the atmosphere and the interaction of radiation with the surface. The bidirectional nature of the exiting radiation at the top of the atmosphere is also accounted for. In this paper the emphasis will be on describing the current status of the model and its implementation on a global scale with the International Satellite Cloud Climatology Project C1 data.

Pinker, R. T.↗

NASA NTRS1992

X-ray scattering and fluorescence in the wind of a massive X-ray binary

Spectral data from the binary X-ray pulsar 4 U 0900 - 40 obtained with the Ginga satellite and covering a range of orbital phases are presented and interpreted using simulated spectra created with a Monte Carlo scattering code. It is found that scattering and fluorescence in a simple spherically symmetric distribution of matter surrounding the companion star can reproduce the eclipse spectrum, as well as the 'soft X-ray-excess' observed during egress and other orbital phases. Reasonably secure values are found for a number of the parameters that characterize the density profile of the stellar wind and atmosphere of the companion star. The Fe abundance is within a factor of about 1.3 of that in the solar neighborhood. It is shown that ionization zones are not critical to understanding the orbital-phase-resolved spectra in this source. It is also found that the contribution by scattering from interstellar dust grains to the observed spectra during eclipse is negligible, while that from diffuse emission from the 'Galactic ridge' is significant.

Lewis, W.↗

NASA NTRS1994

Microwave signatures and surface properties of Ovda Regio and surroundings, Venus

Magellan observations of horizontally and vertically polarized emissivity and radar specific cross sections are jointly modeled to separate dielectric constants from textural effect for lobate plains, fractured plains, fracture belts, festoon flows, and tessera in Ovda Regio and surroundings. The model assumes surface emission and scattering dominate and that signatures are controlled by a combination of quasi-specular and diffuse-scale mechanisms. Textural parameters are found to correlate with geology whereas dielectric constants are found to depend on elevation. A gradual increase in dielectric constant from rock-like values (4 to 5) to a value of approximately 50 is evident over the interval from 6054 to 6056 km, where elevations are derived from Magellan altimetry observations. Stereo radargrammetric analyses demonstrate that a return to rock-like values occurs over approximately 0.5 km above the terrain with highest dielectric constants. The abrupt return to rock-like values occurs independently of geology and reinforces the hypothesis of elevation control on dielectric constant values. Variations in dielectric constant with elevation are modeled using an 1000-ppm concentration of a ferroelectric mineral with a Curie temperature of 707 K. The model reproduces the abrupt change at highest elevations, as the Curie temperature is reached, and the gradual change as lower elevations are encountered. To our knowledge no other model explains the trends with such simplicity.

Arvidson, R. E.↗

NASA NTRS1997

Simulation of Ultra-Small Electronic Devices: The Classical-Quantum Transition Region

Concern is increasing about how quantum effects will impact electronic device operation as down-scaling continues along the SIA Roadmap through 2010. This document describes part of a new semiconductor device modeling (SDM) program at NAS to investigate these concerns by utilizing advanced NAS and third-party numerical computation software to rapidly implement and investigate electronic device models including quantum effects. This SDM project will investigate quantum effects in devices in the classical-quantum transition region, especially sub-0.1 mm MOSFETs. Specific tasks planned for this project include the use of quantum corrections to the classical drift-diffusion and hydrodynamic models of electron transport, arid the use of nominally quantum models including significant scattering.

Biegel, Bryan A.↗

DOE OSTI2022

Water dynamics in pristine and porous Ti 3 C 2 T x MXene as probed by quasielastic neutron scattering

MXenes are a novel class of two-dimensional (2D) materials whose applications in energy-storage systems have attracted substantial attention. Still, the rate performance of these materials is often diminished by sheet restacking, which is attenuated via controlled etching in H 2 SO 4 solution. With this process, micropores are formed in MXene sheets that allow transport across 2D layers. As a result, the intercalation and diffusivity of ions are facilitated resulting in improved capacitance retention at high charge-discharge rates. In the present work, we used quasielastic neutron scattering to evaluate the potential changes in water dynamics as a consequence of this mechanism by assessing the behavior of weakly and strongly confined water populations in pristine and porous MXenes. First, we have found that the porous sample accommodates a noticeably higher content of both water populations. Additionally, the fraction of mobile molecules is higher either under strong or weak confinement. Interestingly, regardless of the abundance of weakly confined water in the porous sample, no considerable changes in the dynamical behavior were detected in comparison with the dynamics measured in the pristine material. Finally, for the strongly confined populations of water, our results show that water is able to permeate the micropores introduced by etching and perform unlocalized motions.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Anisotropic dynamics of water ultra-confined in macroscopically oriented channels of single-crystal beryl: A multi-frequency analysis

The properties of fluids can be significantly altered by the geometry of their confining environments. While there has been significant work on the properties of such confined fluids, the properties of fluids under ultraconfinement, environments where, at least in one plane, the dimensions of the confining environment are similar to that of the confined molecule, have not been investigated. This paper investigates the dynamic properties of water in beryl (Be3Al2Si6O18), the structure of which contains approximately 5-A-diam channels parallel to the c axis. Three techniques, inelastic neutron scattering, quasielastic neutron scattering, and dielectric spectroscopy, have been used to quantify these properties over a dynamic range covering approximately 16 orders of magnitude. Because beryl can be obtained in large single crystals we were able to quantify directional variations, perpendicular and parallel to the channel directions, in the dynamics of the confined fluid. These are significantly anisotropic and, somewhat counterintuitively, show that vibrations parallel to the c-axis channels are significantly more hindered than those perpendicular to the channels. The effective potential for vibrations in the c direction is harder than the potential in directions perpendicular to it. There is evidence of single-file diffusion of water molecules along the channels at higher temperatures, but below 150 K this diffusion is strongly suppressed. No such suppression, however, has been observed in the channel-perpendicular direction. Inelastic neutron scattering spectra include an intramolecular stretching O-H peak at 465 meV. As this is nearly coincident with that known for free water molecules and approximately 30 meV higher than that in liquid water or ice, this suggests that there is no hydrogen bonding constraining vibrations between the channel water and the beryl structure. However, dielectric spectroscopic measurements at higher temperatures and lower frequencies yield an activation energy for the dipole reorientation of 16.4 0.14 kJ/mol, close to the energy required to break a hydrogen bond in bulk water. This may suggest the presence of some other form of bonding between the water molecules and the structure, but the resolution of the apparent contradiction between the inelastic neutron and dielectric spectroscopic results remains uncertain.

Mamontov, Eugene↗