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DOE OSTI2014

Single ion dynamics in molten sodium bromide

We present a study on the single ion dynamics in the molten alkali halide NaBr. Quasielastic neutron scattering was employed to extract the self-diffusion coefficient of the sodium ions at three temperatures. Molecular dynamics simulations using rigid and polarizable ion models have been performed in parallel to extract the sodium and bromide single dynamics and ionic conductivities. Two methods have been employed to derive the ion diffusion, calculating the mean squared displacements and the velocity autocorrelation functions, as well as analysing the increase of the line widths of the self-dynamic structure factors. The sodium diffusion coefficients show a remarkable good agreement between experiment and simulation utilising the polarisable potential.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1972

The coronal transport of the flare associated scatter free electrons

A total of 11 scatter-free electron events from McMath plage region 8905 were observed by IMP 4 during the period from 29 July to 3 August 1967. The transit times and duration of these electron events are examined in detail. The duration of 170- to 1000-keV electrons shows a strong dependence upon the heliolongitude of the associated flare. Typical values of the duration full width at half maximum vary from 4 min at 50 deg W to 12 min at 10 deg and 90 deg W heliolongitudes. In addition, the difference in times at which the maximum intensities of the 22- to 45-keV and 170- to 1000-keV electrons occur is observed to change from 18 min near 50 deg W to 13 min at 10 deg and 90 deg W heliolongitudes. An idealized two-dimensional diffusion model for the transport of these electrons in the solar corona is proposed. The 22- to 45-keV electrons escape promptly from flare site to the feet of the interplanetary magnetic field lines, whereas 170- to 1000-keV electrons suffer slight scattering. The diffusion coefficient for 170- to 1000-keV electrons is estimated to be 3 X 10 to the 18th power sq cm/sec. Finally, a possible relation between the scatter-free and the classical diffusive-type electron events is discussed.

Wang, J. R.↗

DOE OSTI2012

The Structural Response of Polyelectrolyte Dendrimer toward the Molecular Protonation: The Inconsistence Revealed by SANS and NMR

Polyamidoamine (PAMAM) dendrimers and their charged state in deuterium oxide have been investigated with diffusion NMR and small angle neutron scattering (SANS) techniques. NMR measurement suggests that, upon increasing the molecular protonation by progressive acidification of solutions, significant variation of hydrodynamic radius, calculated by the Stokes-Einstein relation with given surface condition, is observed upon increasing the molecular protonation. However, comparative SANS experiment indicates little dependence of dendrimer global size, in terms of radius of gyration, on molecular protonation. This observed inconsistence indicates the necessity of incorporating the effect of molecular interface modification by dressed counterion, when dynamical measurements are used for determination the structural characteristics of ionic soft colloids even in a dilute enough suspension.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Quantifying Aerosol Direct Effects from Broadband Irradiance and Spectral Aerosol Optical Depth Observations

We outline a methodology using broadband and spectral irradiances to quantify aerosol direct effects on the surface diffuse shortwave (SW) irradiance. Best Estimate Flux data span a 13 year timeframe at the Department of Energy Atmospheric Radiation Measurement Program’s Southern Great Plains (SGP) site. Screened clear-sky irradiances and aerosol optical depth (AOD), for solar zenith angles ≤ 65°, are used to estimate clear-sky diffuse irradiances. We validate against detected clear-sky observations from SGP’s Basic Radiation System (BRS). BRS diffuse irradiances were in accordance with estimates, producing a root-mean-square error and mean bias errors of 4.0 W/m2 and -1.4 W/m2, respectively. Absolute differences show 99% of estimates within ±10 W/m2 (10%) of the mean BRS observations. Clear-sky diffuse estimates are used to derive quantitative estimates of aerosol radiative effects, represented as the aerosol diffuse irradiance (ADI). ADI is the contribution of diffuse SW to global SW, attributable to scattering of atmospheric transmission by natural plus anthropogenic aerosols. Estimated slope for the ADI as a function of AOD indicates an increase of ~22 W/m2 in diffuse SW for every 0.1 increase in AOD. Such significant increases in the diffuse fraction could possibly increase photosynthesis. Annual mean ADI is 28.2 W/m2, and heavy aerosol loading at SGP provides up to a maximum increase of 120 W/m2 in diffuse SW over background conditions. With regard to seasonal variation, the mean diffuse forcings are 17.2, 33.3, 39.0, and 23.6 W/m2 for winter, spring, summer, and fall, respectively.

broadband↗

DOE OSTI2017

Perpendicular Diffusion Coefficient of Comic Rays: The Presence of Weak Adiabatic Focusing

The influence of adiabatic focusing on particle diffusion is an important topic in astrophysics and plasma physics. In the past, several authors have explored the influence of along-field adiabatic focusing on the parallel diffusion of charged energetic particles. In this paper, using the unified nonlinear transport theory developed by Shalchi and the method of He and Schlickeiser, we derive a new nonlinear perpendicular diffusion coefficient for a non-uniform background magnetic field. This formula demonstrates that the particle perpendicular diffusion coefficient is modified by along-field adiabatic focusing. For isotropic pitch-angle scattering and the weak adiabatic focusing limit, the derived perpendicular diffusion coefficient is independent of the sign of adiabatic focusing characteristic length. For the two-component model, we simplify the perpendicular diffusion coefficient up to the second order of the power series of the adiabatic focusing characteristic quantity. We find that the first-order modifying factor is equal to zero and that the sign of the second order is determined by the energy of the particles.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Using Directional Diffusion Coefficients for Nonlinear Diffusion Acceleration of the First Order SN Equations in Near-Void Regions

The common definition of the diffusion coeffcient as the inverse of three times the transport cross section is not compat- ible with voids. Morel introduced a non-local tensor diffusion coeffcient that remains finite in voids[1]. It can be obtained by solving an auxiliary transport problem without scattering or fission. Larsen and Trahan successfully applied this diffusion coeffcient for enhancing the accuracy of diffusion solutions of very high temperature reactor (VHTR) problems that feature large, optically thin channels in the z-direction [2]. It is demonstrated that a significant reduction of error can be achieved in particular in the optically thin region. Along the same line of thought, non-local diffusion tensors are applied modeling the TREAT reactor confirming the findings of Larsen and Trahan [3]. Previous work of the authors have introduced a flexible Nonlinear-Diffusion Acceleration (NDA) method for the first order S N equations discretized with the discontinuous finite element method (DFEM), [4], [5], [6]. This NDA method uses a scalar diffusion coeffcient in the low-order system that is obtained as the flux weighted average of the inverse transport cross section. Hence, it su?ers from very large and potentially unbounded diffusion coeffcients in the low order problem. However, it was noted that the choice of the diffusion coeffcient does not influence consistency of the method at convergence and hence the di?usion coeffcient is essentially a free parameter. The choice of the di?usion coeffcient does, however, affect the convergence behavior of the nonlinear di?usion iterations. Within this work we use Morel’s non-local di?usion coef- ficient in the aforementioned NDA formulation in lieu of the flux weighted inverse of three times the transport cross section. The goal of this paper is to demonstrate that significant en- hancement of the spectral properties of NDA can be achieved in near void regions. For testing the spectral properties of the NDA with non-local diffusion coeffcients, the periodical horizontal interface problem is used [7]. This problem consists of alternating stripes of optically thin and thick materials both of which feature scattering ratios close to unity.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Time-dependent models for blazar emission with the second-order Fermi acceleration

The second-order Fermi acceleration (Fermi-II) driven by turbulence may be responsible for the electron acceleration in blazar jets. We test this model with time-dependent simulations. The hard electron spectrum predicted by the Fermi-II process agrees with the hard photon spectrum of 1ES 1101–232. For other blazars that show softer spectra, the Fermi-II model requires radial evolution of the electron injection rate and/or diffusion coefficient in the outflow. Such evolutions can yield a curved electron spectrum, which can reproduce the synchrotron spectrum of Mrk 421 from the radio to the X-ray regime. The photon spectrum in the GeV energy range of Mrk 421 is hard to fit with a synchrotron self-Compton model. However, if we introduce an external radio photon field with a luminosity of 4.9 × 10{sup 38} erg s{sup –1}, GeV photons are successfully produced via inverse Compton scattering. The temporal variability of the diffusion coefficient or injection rate causes flare emission. The observed synchronicity of X-ray and TeV flares implies a decrease of the magnetic field in the flaring source region.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

Effect of metallic surface microroughness on the probability and spectrum of plasmon excitation by a fast charged particle moving parallel to the surface

The Green's function of the electric field of plasmons is determined in a semi-infinite medium with an abrupt plasma boundary where nonequilibrium conduction electrons either undergo elastic reflection from the boundary or 'stick' to it and give rise to a stationary surface charge. The angular reflection of elastically scattered electrons can be either specular or diffuse. The Green's function is used to find the singleevent spectrum of energy loss by a fast electron moving parallel to the boundary. The effect of electronboundary scattering parameters on the structure of bulk and surface plasmon resonances is analyzed. The probability of transition radiation of bulk plasmon by an electron moving in vacuum is examined. A new type of surface resonance is found under conditions of perfectly elastic scattering of conduction electrons from the plasma boundary, similar in structure to a tangential surface plasmon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1990

Cloud absorption properties as derived from airborne measurements of scattered radiation within clouds

Researchers briefly review the diffusion domain method for deriving the cloud similarity parameter and present preliminary analyses of the results thus far obtained. The presentation concentrates on the following points: (1) intercomparison of calibrated reflected intensities between the cloud absorption radiometer and the U.K. multispectral cloud radiometer; (2) quality control tests required to select those portions of an aircraft flight for which measurements are obtained within the diffusion domain; (3) case studies of the spectral similarity parameter of marine stratocumulus clouds; and comparisons of the experimentally-derived similarity parameter spectrum with that expected theoretically from the cloud droplet size distribution obtained from in situ observations.

King, Michael D.↗

NASA NTRS1983

Polarization radiation in the planetary atmosphere delimited by a heterogeneous diffusely reflecting surface

Spatial frequency characteristics (SFC) and the scattering functions were studied in the two cases of a uniform horizontal layer with absolutely black bottom, and an isolated layer. The mathematical model for these examples describes the horizontal heterogeneities in a light field with regard to radiation polarization in a three dimensional planar atmosphere, delimited by a heterogeneous surface with diffuse reflection. The perturbation method was used to obtain vector transfer equations which correspond to the linear and nonlinear systems of polarization radiation transfer. The boundary value tasks for the vector transfer equation that is a parametric set and one dimensional are satisfied by the SFC of the nonlinear system, and are expressed through the SFC of linear approximation. As a consequence of the developed theory, formulas were obtained for analytical calculation of albedo in solving the task of dissemination of polarization radiation in the planetary atmosphere with uniform Lambert bottom.

Strelkov, S. A.↗

NASA NTRS1983

Fresnel zone considerations for reflection and scatter from refractive index irregularities

Several different echoing mechanisms are proposed to explain VHF/UHF scatter from clear air; (1) anisotropic scatter; (2) Fresnel reflection, and (3) Fresnel scatter, in order to account for the spatial (angle and range) and temporal dependence of the echoes. The term diffuse reflection describes the echoing mechanism when both scatter and reflection coexist. A unifying formulation is presented incorporating a statistical approach that embraces all mechanisms the above mechanisms and gives conditions under which reflection or scatter dominates. A distinction between Fraunhofer and Fresnel scatter and a criterion is presented under which Fresnel scatter is important.

Doviak, R. J.↗

NASA NTRS2004

Assessing Jet-Induced Spatial Mixing in a Rich, Reacting Crossflow

In many advanced low NOx gas turbine combustion techniques, such as rich-burn/quick-mix/lean-burn (RQL), jet mixing in a reacting, hot, fuel-rich crossflow plays an important role in minimizing all pollutant emissions and maximizing combustion efficiency. Assessing the degree of mixing and predicting jet penetration is critical to the optimization of the jet injection design strategy. Different passive scalar quantities, including carbon, oxygen, and helium are compared to quantify mixing in an atmospheric RQL combustion rig under reacting conditions. The results show that the O2-based jet mixture fraction underpredicts the C-based mixture fraction due to jet dilution and combustion, whereas the He tracer overpredicts it possibly due to differences in density and diffusivity. The He-method also exhibits significant scatter in the mixture fraction data that can most likely be attributed to differences in gas density and turbulent diffusivity. The jet mixture fraction data were used to evaluate planar spatial unmixedness, which showed good agreement for all three scalars. This investigation suggests that, with further technique refinement, O2 or a He tracer could be used instead of C to determine the extent of reaction and mixing in an RQL combustor.

Demayo, T. N.↗

DOE OSTI2012

COSMOLOGICAL X-RAY SCATTERING FROM INTERGALACTIC DUST

High-resolution X-ray imaging offers a unique opportunity to probe the nature of dust in the z {approx}< 2 universe. Dust grains 0.1-1 {mu}m in size will scatter soft X-rays, producing a diffuse 'halo' image around an X-ray point source, with a brightness of {approx} few percent confined to an arcminute-sized region. We derive the formulae for scattering in a cosmological context and calculate the surface brightness of the scattering halo due to (1) an intergalactic medium (IGM) uniformly enriched ({Omega}{sub d} {approx} 10{sup -5}) by a power-law distribution of grain sizes and (2) a damped Ly{alpha} type (N{sub H} {approx} 10{sup 21} cm{sup -2}) dust screen at cosmological distances. The morphology of the surface brightness profile can distinguish between the two scenarios above, place size constraints on dusty clumps, and constrain the homogeneity of the IGM. Thus, X-ray scattering can gauge the relative contribution of the first stars, dwarf galaxies, and galactic outflows to the cosmic metallicity budget and cosmic history of dust. We show that, because the amount of intergalactic scattering is overestimated for photon energies <1 keV, the non-detection of an X-ray scattering halo by Petric et al. is consistent with 'gray' intergalactic dust grains ({Omega}{sub d} {approx} 10{sup -5}) when the data are restricted to the 1-8 keV band. We also calculate the systematic offset in magnitude, {delta}m {approx} 0.01, for such a population of graphite grains, which would affect the type of supernova survey ideal for measuring dark energy parameters within {approx}1% precision.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Pressure-induced phase transition in barium hydride studied with neutron scattering

Barium hydride can undergo a structural phase transition from an orthorhombic phase to a hexagonal phase induced by high temperature or high pressure. This transition causes an immediate increase in the hydrogen diffusion rates by over an order of magnitude, and therefore, understanding the origin and details of such transition is of great interest not only for fundamental reasons but also for improving materials for future applications. In this work, the pressure evolution of the crystal structure was characterized using neutron powder diffraction up to a maximum pressure of 11.3 GPa. The pressure dependence of the unit cell volumes, lattice parameters, atomic sites, and compressibilities were determined for both phases. A structural phase transition occurred over a wide pressure range of P = 1.3 GPa–4.9 GPa. The transition to the higher density hexagonal phase reduced the volume per formula unit of BaD 2 by 13.6%, hence increasing the volumetric storage density. In addition, we investigated the hydrogen diffusion process using high pressure quasi-elastic neutron scattering up to 7.1 GPa. Our results show that the hydrogen mobility increases with pressure in the hexagonal phase. This work sheds light on the structural and dynamical aspects of barium hydride caused by the application of high pressure. Finally, the results may aid in the development of advanced metal hydride systems with increased hydrogen dynamics.

36 MATERIALS SCIENCE↗

DOE OSTI2011

Cosmic ray diffusion: Detailed investigation of a recent model

A recently proposed model [A. Shalchi, Astrophys. J. 720, L127 (2010)] of perpendicular cosmic ray scattering is investigated in detail, with special emphasis to the relevant diffusion coefficients. Solution of a pair of critical equations, as well as a fundamental integral needed to describe the particle transport, are represented via a mathematically correct expansion procedure, thus modifying the previously available approximations. It is hoped that these significant improvements will aid in allowing a clearer understanding of precisely what the model is capable of evaluating.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Using Directional Diffusion Coefficients for Nonlinear Diffusion Acceleration of the First Order S{sub N} Equations in Near-Void Regions

The common definition of the diffusion coefficient as the inverse of three times the transport cross section is not compatible with voids. Morel introduced a non-local tensor diffusion coefficient that remains finite in voids. It can be obtained by solving an auxiliary transport problem without scattering or fission. Larsen and Trahan successfully applied this diffusion coefficient for enhancing the accuracy of diffusion solutions of very high temperature reactor (VHTR) problems that feature large, optically thin channels in the z-direction. It was demonstrated that a significant reduction of error can be achieved in particular in the optically thin region. Along the same line of thought, non-local diffusion tensors have been applied to modeling the TREAT reactor confirming the findings of Larsen and Trahan. Previous work of the authors have introduced a flexible Nonlinear-Diffusion Acceleration (NDA) method for the first order S{sub N} equations discretized with the discontinuous finite element method (DFEM). This NDA method uses a scalar diffusion coefficient in the low-order system that is obtained as the flux weighted average of the inverse transport cross section. Hence, it suffers from very large and potentially unbounded diffusion coefficients in the low order problem. However, it was noted that the choice of the diffusion coefficient does not influence consistency of the method at convergence and hence the diffusion coefficient is essentially a free parameter. The choice of the diffusion coefficient does, however, affect the convergence behavior of the nonlinear diffusion iterations. Within this work we use Morel's non-local diffusion coefficient in the aforementioned NDA formulation in lieu of the flux weighted inverse of three times the transport cross section. The goal of this paper is to demonstrate that significant enhancement of the spectral properties of NDA can be achieved in near void regions. For testing the spectral properties of the NDA with non-local diffusion coefficients, the periodical horizontal interface problem is used. This problem consists of alternating stripes of optically thin and thick materials both of which feature scattering ratios close to unity. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2012

Identifying monomer phases and cluster phases in lysozyme solutions by studying the temperature dependence of the short-time dynamics

Recently experiments that combine both small angle neutron scattering (SANS) and Neutron Spin Echo (NSE) have demonstrated that dynamic clusters can form in concentrated lysozyme solutions when there is a right combination of a short-ranged attraction and a long-ranged electrostatic repulsion. In this paper, we study the temperature effect on the dynamic cluster formation and try to pinpoint the transition concentration from a monomer phase to a cluster phase. Interestingly at even a relatively high concentration (10 % mass fraction), despite the significant change of the SANS patterns that are associated with the change of the short-ranged attraction among proteins, the normalized short-time self-diffusion coefficient is not affected. This is interpreted due to the fact that there is no cluster formation at this condition. However, at larger concentrations such as 17.5 % and 22.5 % mass fraction, we show that the average hydrodynamic radius increase significantly and causes a large decrease of the normalized self-diffusion coefficient when the temperature is changed from 25 oC to 5 oC indicating the formation of dynamic clusters in solution.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1990

Particle acceleration in step function shear flows - A microscopic analysis

The transport of energetic particles in a moving, scattering fluid, which has a large shear in its velocity over a distance small compared with the scattering mean free path is discussed. The analysis is complementary to an earlier paper by Earl, Jokipii, and Morfill (1988), which considered effects of more-gradual shear in the diffusion approximation. The case in which the scattering fluid undergoes a step function change in velocity, in the direction normal to the flow is considered. An analytical, approximate calculation and a Monte Carlo analysis of particle motion are presented. It is found that particles gain energy at a rate proportional to the square of the magnitude of the velocity change.

Jokipii, J. R.↗