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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.
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.
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.
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.
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.
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.
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.
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.
A model of rarefied gas flow in tubes was developed which combines a lobular distribution with diffuse reflection at the wall. The model with Monte Carlo techniques was used to explain previously observed deviations in the free molecular thermal transpiration ratio which suggest molecules can have a greater tube transmission probability in a hot-to-cold direction than in a cold-to-hot direction. The model yields correct magnitudes of transmission probability ratios for helium in Pyrex tubing (1.09 to 1.14), and some effects of wall-temperature distribution, tube surface roughness, tube dimensions, gas temperature, and gas molecular mass.
The applicability of a previously derived solution of the Kubelka-Munk differential equations for the reflectance of an absorbing and scattering material for the case of a zero absorption coefficient to the description of the reflectance of a weakly absorbing, highly scattering material is examined. A solution for the transient heating of a one-dimensional volume reflector is obtained, and the error incurred in the use of the zero absorption coefficient solution is assessed for early times appropriate to the entry heat protection system application. It is found that the small difference in reflectance causes a significant difference in internal temperature.
An analytical model is developed for the opposition effects (heiligenshein) in the case of light scattering from a semi-infinite, particulate medium with particles that are large relative to the wavelength. The effect is common for natural materials, and comprises a bright surge in light diffusively reflected from a surface at near zero phase. A generalized expression is devised for the extinction coefficient of a particulate medium. Models are developed for step function and hyperbolic tangent distributions of light scattered from a stratified medium and exhibiting the opposition effect. A maximum brightness amplitude increase of 0.753 is projected for the effect. Greater values must have other causes. To illustrate the theory it is fitted to observations of the Moon, an asteroid, and a satellite of Uranus; Europa is also discussed.
An analytical model is developed for the opposition effect (heiligenshein) in the case of light scattering from a semi-infinite, particulate medium with particles that are large relative to the wavelength. The effect is common for natural materials, and comprises a brightness surge in light diffusively reflected from a surface at near zero phase. A generalized expression is devised for the extinction coefficient of a particulate medium. Models are developed for step function and hyperbolic tangent distributions of light scattered from a stratified medium and exhibiting the opposition effect. A maximum brightness amplitude increase of 0.753 is projected for the effect. Greater values must have other causes.
Ionic liquids (ILs) with long alkyl substituents are amphiphilic, which leads to a bicontinuous liquid structure. The strongly interacting anionic and cationic head groups form a long range charge network, with the hydrocarbon tails forming a nonpolar domain. Such nonpolar domains have been shown to dissolve a variety of neutral organic solvents. In mixtures of ILs with solvents the neutral organic molecules residing in the nonpolar domains experience different environments and friction from the charged cations and anions. Thus, the neutral molecules diffuse much faster than predicted by hydrodynamic scaling using the average viscosity of the mixture. Here, we report studies on the structure and transport properties of mixtures of 1-octanol with the IL trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)imide (P 6,6,6,14 + /NTf 2 – ). The majority of the atom fraction in the P 6,6,6,14 + cation comprises four hydrocarbon substituents. The unique amphiphilic nature of ILs with the P 6,6,6,14 + cation makes 1-octanol fully miscible with the IL at ambient temperatures. X-ray scattering experiments show that the IL structure persists in the mixtures for 1-octanol mole fractions as large as x oct = 0.90. The self-diffusion coefficients of the three molecular species in the mixtures were measured by NMR experiments. The self-diffusion of the P 6,6,6,14 + cation is well described by the Stokes–Einstein equation, while the diffusivity of the NTf 2 – anion is slightly lower than the hydrodynamic prediction. The measured diffusivities of octanol in these mixtures are 1.3–4 times higher than the hydrodynamic predictions.
Here, we report benchmark calculations of the energy per particle of pure neutron matter as a function of the baryon density using three independent many-body methods: Brueckner–Bethe–Goldstone, Fermi hypernetted chain/single-operator chain, and auxiliary-field diffusion Monte Carlo. Significant technical improvements are implemented in the latter two methods. The calculations are made for two distinct families of realistic coordinate-space nucleon-nucleon potentials fit to scattering data, including the standard Argonne v 18 interaction and two of its simplified versions, and four of the new Norfolk Δ -full chiral effective field theory potentials. Primarily because of the advancements in the auxiliary-field diffusion Monte Carlo, we observe good agreement among the three many-body techniques up to nuclear saturation density—the maximum difference in the energy per particle is within 1.5 MeV for all the potentials we consider. At higher densities, the divergences become more important, and are mainly driven by the Fermi hypernetted chain/single-operator calculations. We also study the connection between nucleon-nucleon scattering data and the energy per particle of pure neutron matter. Our results suggest that fitting to higher-energy nucleon-nucleon scattering helps reduce the spread of energies among the models.
The transport of molecules in microporous material is a significant and active area of research in separation applications. The movement of vapor/liquid molecules in a high-loading condition in microporous spaces is especially challenging to interrogate. This project aims to understand and control the transport of complex water and organic solvent mixtures in varying structures of microporous carbon molecular sieve (CMS) and activated carbon membranes. Modeling of transport behavior in such carbonaceous samples using computational modeling is difficult due to their amorphous structure. Therefore, this research intends to study the transport mechanism of water-organic mixtures by experimentally revealing fundamental transport properties, such as guest sorption amounts as well as diffusion and permeation rates. Considering the different size and guest-host affinity of water and organic solvent molecules, the objective of this research is to understand the structural conditions within the ultramicropores and micropores that generate different types of molecular transport and selection mechanisms within such complex systems. Carbonaceous materials are developed using tailored pyrolysis techniques to pyrolyze polymeric precursors, including polyvinylidene chloride (PVDC),polyvinylidene fluoride (PVDF), polymer of intrinsic microporosity (PIM) -1, and fully aromatic polyamide. The initial stage of the research will focus on the microscopic diffusion and sorption studies of pure component water, xylene isomers, and n,n- dimethylformamide within various carbons. Additional structural investigation on CMS, such as gas physisorption and neutron scattering studies, will be executed to gain deeper insight into these structure-transport relationships. Scanning electron microscopy and X-ray photoelectron microscopy are also used to further characterize these materials. The research will progress to probe mutual diffusion of complex water-organic mixtures within various CMS microstructures. Competitive sorption and permeation studies of the binary mixtures in different microstructural CMS will be followed. The obtained binary mixture transport parameters were used to predict binary water-organic mixtures transport.
Polycrystalline tungsten-substituted CaMn{sub 1−x}W{sub x}O{sub 3−δ} (0.00 ≤ x ≤ 0.05) powders were synthesized from a polymeric precursor, pressed and sintered to high density. The impact of tungsten substitution on the crystal structure, thermal stability, phase transition, electronic and thermal transport properties is assessed. Tungsten acts as an electron donator and strongly affects high-temperature oxygen stoichiometry. Oxygen vacancies form in the high figure-of-merit (ZT)-region starting from about T = 1000 K and dominate the carrier concentration and electronic transport far more than the tungsten substitution. The analysis of the transport properties yields that in the investigated regime the band filling is sufficiently high to overcome barriers of polaron transport. Therefore, the Cutler-Mott approach describes the electrical transport more accurately than the Mott approach for small polaron transport. The lattice thermal conductivity near room temperature is strongly suppressed with increasing tungsten concentration due to mass-difference impurity scattering. A ZT of 0.25 was found for x = 0.04 at 1225 K.
Platinum grown by atomic layer deposition (ALD) on SrTiO{sub 3}(001) surfaces was studied as a function of Pt coverage and post-deposition thermal treatment. The combination of atomic-force microscopy, scanning electron microscopy, x-ray fluorescence, x-ray reflectivity, and grazing-incidence small-angle x-ray scattering reveals significant changes in the nanoscale surface morphology and crystallinity for the differently prepared films. Surfaces with Pt coverages from 1 to 40 monolayers (ML) show different initial morphologies that evolve into different final Pt microstructures after annealing to 800 C. These distinct nanoscale structural changes are explained by surface diffusion and the surface and interface energies for noble metals on oxides.
A theory of quasilinear diffusion for obliquely propagating electromagnetic waves was developed in the 1960's and applied in the 1970's to model scattering of relativistic electrons by a prescribed distribution of waves. In the latter work, a transformation of variables, from wavevector space to the temporal frequency and tangent of the wave normal angle, was used so that simple Gaussian functions of frequency and tangent of the wave normal angle could be multiplied together to define the distribution of wave power, although arbitrary distributions of power in these two variables is also permitted. Finally, in 2005, previous work was consolidated and has been widely used in heliophysics studies that require computation of quasilinear diffusion coefficients. Here it is shown that this transformation is inppropriate when the precise wave vector distribution is known. The correct transformation is derived and used to produce diffusion coefficients that can differ by orders of magnitude from those computed using the inappropriate transformation. The differences are largest when the distribution of wave power extends to wave normal angles near the resonance cone. When the ratio of the plasma frequency to the gyrofrequency is large, only low energies (keV) are affected, but as the ratio decreases higher energies (MeV) also show differences. It is also shown that the derivation from the 1960's uses a notation that results in the diffusion coefficients depending on the distribution of wave power with respect to the wave azimuthal angle whereas there should be no such dependence.