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DOE OSTI2017

Resonance treatment using pin-based pointwise energy slowing-down method

A new resonance self-shielding method using a pointwise energy solution has been developed to overcome the drawbacks of the equivalence theory. The equivalence theory uses a crude resonance scattering source approximation, and assumes a spatially constant scattering source distribution inside a fuel pellet. These two assumptions cause a significant error, in that they overestimate the multi-group effective cross sections, especially for {sup 238}U. The new resonance self-shielding method solves pointwise energy slowing-down equations with a sub-divided fuel rod. The method adopts a shadowing effect correction factor and fictitious moderator material to model a realistic pointwise energy solution. The slowing-down solution is used to generate the multi-group cross section. With various light water reactor problems, it was demonstrated that the new resonance self-shielding method significantly improved accuracy in the reactor parameter calculation with no compromise in computation time, compared to the equivalence theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Complex optimization for big computational and experimental neutron datasets

Here, we present a framework to use high performance computing to determine accurate solutions to the inverse optimization problem of big experimental data against computational models. We demonstrate how image processing, mathematical regularization, and hierarchical modeling can be used to solve complex optimization problems on big data. We also demonstrate how both model and data information can be used to further increase solution accuracy of optimization by providing confidence regions for the processing and regularization algorithms. Finally, we use the framework in conjunction with the software package SIMPHONIES to analyze results from neutron scattering experiments on silicon single crystals, and refine first principles calculations to better describe the experimental data.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Quasielastic electromagnetic scattering cross sections and world data comparisons in the GENIE Monte Carlo event generator

The usage of Monte Carlo neutrino event generators (MC$\textit{ν}$EGs) is a norm within the high-energy $\textit{ν}$ scattering community. The relevance of quasielastic (QE) energy regimes to $\textit{ν}$ oscillation experiments implies that accurate calculations of $\textit{ν}$A cross sections in this regime will be a key contributor to reducing the systematic uncertainties affecting the extraction of oscillation parameters. In spite of this, many MC$\textit{ν}$EGs utilize highly phenomenological, parametrized models of QE scattering cross sections. Moreover, a culture of validation of MC$\textit{ν}$EGs against prolific electron ($\textit{e}$) scattering data has been historically lacking. In this work, we implement new eA cross sections obtained from nuclear ab initio approaches in GENIE, the primary MC$\textit{ν}$EG utilized by the FNAL community. In particular, we utilize results from quantum MC methods which solve the many-body nuclear problem in the short-time approximation (STA), allowing consistent retention of two-nucleon dynamics which are crucial to explain available nuclear electromagnetic (electroweak) data over a wide range of energy and momentum transfers. This new implementation in GENIE is fully tested against the world QE electromagnetic data, finding agreement with available data below ~2 GeV of beam energy with the aid of a scaling function formalism. The STA is currently limited to study $\textit{A}$ ≤ 12 nuclei, however, its semi-inclusive multibody identity components are exportable to other many-body computational techniques such as auxiliary field diffusion MC which can reach $\textit{A}$ ≤ 40 systems while continuing to realize the factorization contained within the STA’s multinucleon dynamics. Together, these developments promise to make future experiments such as DUNE more accurate in their assessment of MC$\textit{ν}$EG systematics, $\textit{ν}$ properties, and potentially empower the discovery of physics beyond the Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Quantum Oscillation from In-Gap States and a Non-Hermitian Landau Level Problem

Motivated by recent experiments on Kondo insulators, we theoretically study quantum oscillations from disorder-induced in-gap states in small-gap insulators. By solving a non-Hermitian Landau level problem that incorporates the imaginary part of electron’s self-energy, we show that the oscillation period is determined by the Fermi surface area in the absence of the hybridization gap, and we derive an analytical formula for the oscillation amplitude as a function of the indirect band gap, scattering rates, and temperature. Over a wide parameter range, we find that the effective mass is controlled by scattering rates, while the Dingle factor is controlled by the indirect band gap. We also show the important effect of scattering rates in reshaping the quasiparticle dispersion in connection with angle-resolved photoemission measurements on heavy fermion materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1982

Propagation of wide bandwidth signals through strongly turbulent ionized media

Analytic and numerical techniques are presented which directly address the problem of propagation of wide bandwidth signals through random ionized media. This work is applicable to the problems of satellite communication and space based radar observation through a disturbed ionospheric propagation channel that would result from a high altitude chemical release or nuclear detonation. An analytic solution is presented for the two-position, two-frequency mutual coherence function for spherical wave propagation in the strong scattering limit. This solution is used to derive simple expressions for the power impulse response function and to determine its relationship to the important parameters of decorrelation distance and coherence bandwidth which describe the disturbed propagation channel. Results for mean time delay and time delay jitter are presented and compared to direct simulation results and to other theoretical calculations. A numerical/analytical solution to the parabolic wave equation is presented in the form of a multiple phase-screen (MPS) propagation simulation. In this very general solution technique, the random medium is divided into a finite number of layers. The field fluctuation through each layer is obtained by replacing the layer by a centrally located thin phase-screen, whose statistical properties are determined from the statistics of the electron-density irregularities. The waveform then propagates from phase-screen to phase-screen via an exact solution to the Fresnel-Kirchnoff equation. For wide bandwidth waveforms, numerical solutions are obtained at a number of discrete frequencies centered about the carrier and then time-domain solutions are obtained by Fourier transform techniques. Detailed results are presented for a number of interesting cases including propagation of a 20 MHz bandwidth signal through a finite barium cloud at a carrier frequency of 100 MHz. One of the major uses of the MPS propagation simulation has been to provide realizations of the received signal after propagation through a disturbed channel. The MPS simulation obtains a general solution of the parabolic wave equation under both weak and strong scattering conditions. A second technique to directly obtain realizations of wide bandwidth waveforms is presented here. This technique is limited to the case of strong scattering but requires only a fraction of the computer resources needed for MPS signal generation. Detailed comparisons of the two signal generation techniques are presented.

Random Media↗

NASA NTRS1992

Extraction of Aerosol and Rayleigh Components from Doppler Lidar Return Signal

One of the most significant problems which limits the applicability of lidar systems for pressure and density profile measurements below 30 km altitude is the presence of atmospheric aerosols which contaminate the molecular or Rayleigh return signal. A new technique is described which allows for the separation of the return signal into aerosol and molecular scattered components. The technique was applied to data from the University of Michigan's High Resolution Doppler Lidar (HRDL).

Barnes, John E.↗

NASA NTRS1991

An experiment in remote manufacturing using the advanced communications technology satellite

The goal of the completed project was to develop an experiment in remote manufacturing that would use the capabilities of the ACTS satellite. A set of possible experiments that could be performed using the Advanced Communications Technology Satellite (ACTS), and which would perform remote manufacturing using a laser cutter and an integrated circuit testing machine are described in detail. The proposed design is shown to be a feasible solution to the offered problem and it takes into consideration the constraints that were placed on the experiment. In addition, we have developed two more experiments that are included in this report: backup of rural telecommunication networks, and remote use of Synthetic Aperture Radar (SAR) data analysis for on-site collection of glacier scattering data in the Antarctic.

Tsatsoulis, Costas↗

NASA NTRS2004

Monte Carlo Technique Used to Model the Degradation of Internal Spacecraft Surfaces by Atomic Oxygen

Atomic oxygen is one of the predominant constituents of Earth's upper atmosphere. It is created by the photodissociation of molecular oxygen (O2) into single O atoms by ultraviolet radiation. It is chemically very reactive because a single O atom readily combines with another O atom or with other atoms or molecules that can form a stable oxide. The effects of atomic oxygen on the external surfaces of spacecraft in low Earth orbit can have dire consequences for spacecraft life, and this is a well-known and much studied problem. Much less information is known about the effects of atomic oxygen on the internal surfaces of spacecraft. This degradation can occur when openings in components of the spacecraft exterior exist that allow the entry of atomic oxygen into regions that may not have direct atomic oxygen attack but rather scattered attack. Openings can exist because of spacecraft venting, microwave cavities, and apertures for Earth viewing, Sun sensors, or star trackers. The effects of atomic oxygen erosion of polymers interior to an aperture on a spacecraft were simulated at the NASA Glenn Research Center by using Monte Carlo computational techniques. A two-dimensional model was used to provide quantitative indications of the attenuation of atomic oxygen flux as a function of the distance into a parallel-walled cavity. The model allows the atomic oxygen arrival direction, the Maxwell Boltzman temperature, and the ram energy to be varied along with the interaction parameters of the degree of recombination upon impact with polymer or nonreactive surfaces, the initial reaction probability, the reaction probability dependence upon energy and angle of attack, degree of specularity of scattering of reactive and nonreactive surfaces, and the degree of thermal accommodation upon impact with reactive and non-reactive surfaces to be varied to allow the model to produce atomic oxygen erosion geometries that replicate actual experimental results from space. The degree of erosion of various interior locations was compared with the erosion that would occur external to the spacecraft. Results of one cavity model indicate that, at depths into a two-dimensional cavity that are equal to 10 cavity widths, the erosion on the walls of the cavity is less than that on the top surface by over 2 orders of magnitude. Wall erosion near the surface of a cavity depends on which wall is receiving direct atomic oxygen attack. However, deep in the cavity little difference is present. Testing of various cavity models such as these gives spacecraft designers an indication of the level of threat to sensitive interior surfaces for different geometries. Even though the Monte Carlo model is two-dimensional, it can be used to provide qualitative information about spacecraft openings that are three-dimensional by offering reasonable insight as to the nature of the attenuation of damage that occurs within a spacecraft in low Earth orbit. As shown, there is more erosion on the side seeing direct atomic oxygen attack until a depth of approximately 5 times the width of the opening, where the erosion is the same on both sides.

Banks, Bruce A.↗

NASA NTRS2007

X-Ray Dust Scattering At Small Angles: The Complete Halo Around GX13+1

The exquisite angular resolution available with Chandra should allow precision measurements of faint diffuse emission surrounding bright sources, such as the X-ray scattering halos created by interstellar dust. However, the ACIS CCDs suffer from pileup when observing bright sources, and this creates difficulties when trying to extract the scattered halo near the source. The initial study of the X-ray halo around GX13+1 using only the ACIS-I detector done by Smith, Edgar & Shafer (2002) suffered from a lack of sensitivity within 50" of the source, limiting what conclusions could be drawn. To address this problem, observations of GX13+1 were obtained with the Chandra HRC-I and simultaneously with the RXTE PCA. Combined with the existing ACIS-I data, this allowed measurements of the X-ray halo between 2-1000". After considering a range of dust models, each assumed to be smoothly distributed with or without a dense cloud along the line of sight, the results show that there is no evidence in this data for a dense cloud near the source, as suggested by Xiang et al. (2005). In addition, although no model leads to formally acceptable results, the Weingartner & Draine (2001) and all but one of the composite grain models from Zubko, Dwek & Arendt (2004) give particularly poor fits.

Smith, Randall K.↗

NASA NTRS2009

Exploring Alternate Parameterizations for Snowfall with Validation from Satellite and Terrestrial Radars

Increases in computational resources have allowed operational forecast centers to pursue experimental, high resolution simulations that resolve the microphysical characteristics of clouds and precipitation. These experiments are motivated by a desire to improve the representation of weather and climate, but will also benefit current and future satellite campaigns, which often use forecast model output to guide the retrieval process. Aircraft, surface and radar data from the Canadian CloudSat/CALIPSO Validation Project are used to check the validity of size distribution and density characteristics for snowfall simulated by the NASA Goddard six-class, single-moment bulk water microphysics scheme, currently available within the Weather Research and Forecast (WRF) Model. Widespread snowfall developed across the region on January 22, 2007, forced by the passing of a midlatitude cyclone, and was observed by the dual-polarimetric, C-band radar King City, Ontario, as well as the NASA 94 GHz CloudSat Cloud Profiling Radar. Combined, these data sets provide key metrics for validating model output: estimates of size distribution parameters fit to the inverse-exponential equations prescribed within the model, bulk density and crystal habit characteristics sampled by the aircraft, and representation of size characteristics as inferred by the radar reflectivity at C- and W-band. Specified constants for distribution intercept and density differ significantly from observations throughout much of the cloud depth. Alternate parameterizations are explored, using column-integrated values of vapor excess to avoid problems encountered with temperature-based parameterizations in an environment where inversions and isothermal layers are present. Simulation of CloudSat reflectivity is performed by adopting the discrete-dipole parameterizations and databases provided in literature, and demonstrate an improved capability in simulating radar reflectivity at W-band versus Mie scattering assumptions.

Molthan, Andrew L.↗

NASA NTRS2009

Exploring Alternative Parameterizations for Snowfall with Validation from Satellite and Terrestrial Radars

Increases in computational resources have allowed operational forecast centers to pursue experimental, high resolution simulations that resolve the microphysical characteristics of clouds and precipitation. These experiments are motivated by a desire to improve the representation of weather and climate, but will also benefit current and future satellite campaigns, which often use forecast model output to guide the retrieval process. The combination of reliable cloud microphysics and radar reflectivity may constrain radiative transfer models used in satellite simulators during future missions, including EarthCARE and the NASA Global Precipitation Measurement. Aircraft, surface and radar data from the Canadian CloudSat/CALIPSO Validation Project are used to check the validity of size distribution and density characteristics for snowfall simulated by the NASA Goddard six-class, single moment bulk water microphysics scheme, currently available within the Weather Research and Forecast (WRF) Model. Widespread snowfall developed across the region on January 22, 2007, forced by the passing of a mid latitude cyclone, and was observed by the dual-polarimetric, C-band radar King City, Ontario, as well as the NASA 94 GHz CloudSat Cloud Profiling Radar. Combined, these data sets provide key metrics for validating model output: estimates of size distribution parameters fit to the inverse-exponential equations prescribed within the model, bulk density and crystal habit characteristics sampled by the aircraft, and representation of size characteristics as inferred by the radar reflectivity at C- and W-band. Specified constants for distribution intercept and density differ significantly from observations throughout much of the cloud depth. Alternate parameterizations are explored, using column-integrated values of vapor excess to avoid problems encountered with temperature-based parameterizations in an environment where inversions and isothermal layers are present. Simulation of CloudSat reflectivity is performed by adopting the discrete-dipole parameterizations and databases provided in literature, and demonstrate an improved capability in simulating radar reflectivity at W-band versus Mie scattering assumptions.

Molthan, Andrew L.↗

DOE OSTI2019

Self-focusing of cosh-Gaussian laser beam and its effect on the excitation of ion-acoustic wave and stimulated Brillouin backscattering in collisionless plasma

An analytical and numerical study has been carried out for self-focusing of an intense cosh-Gaussian laser beam in collisionless plasma and its impact on the excitation of ion-acoustic wave and stimulated Brillouin backscattering process. The analytical model has been developed under Wentzel–Kramers–Brillouin and paraxial ray approximations. The nonlinearities of ponderomotive force on electron and the relativistic oscillation of the electron mass have been used in this study. The nonlinear differential equations have been set up for the beam width parameters of the main beam, ion-acoustic wave, backscattered wave and back reflectivity of stimulated Brillouin scattering (SBS). These equations have been solved numerically for different values of decentred parameter (b), relative plasma density (ω{sub p0}/ω{sub 0}) and incident laser intensity (a). The results have been compared with only relativistic nonlinearity and Gaussian profile of laser beam. The focusing of laser beam, ion-acoustic wave and scattered wave are found to be strong under relativistic-ponderomotive regime compared to only relativistic regime. Further, it is observed that focusing/intensity of main laser beam, ion acoustic wave and SBS back reflectivity increases with increasing the values of b and ω{sub p0}/ω{sub 0}. Itis also found that back reflectivity of SBS process gets suppressed with the increase in the value of a. This study may be useful in laser induced fusion scheme where back scattering of SBS plays very important role.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

On the Mechanism of Absorption and Restoration of Radiation Transmission in the Channel of Small-Scale Self-Focusing of a Short Laser Pulse in Neodymium Glass

When diagnosing a small-scale self-focusing (SSSF) channel of a 0.5-ns laser pulse with an intensity of 3–5 GW/cm{sup 2} in neodymium glasses, an absorption jump was detected (with a front of ≈0.5 ns) at wavelengths of 1.06 and 0.66 μm in addition to filament-like damage typical of SSSF, spectral broadening, and laser radiation scattering. The absorption coefficient reached 0.15 cm{sup –1}, and transmission in the medium was restored during 15–35 ns for phosphate glass and 5–10 ns for silicate glass. The physical bases of this effect of the appearance and relaxation of absorption in glasses have not been previously presented. An analysis of the experimental data showed that the absorption jump is due to the fast population of the {sup 4}I{sub 11/2} level of Nd{sup 3+} ions in glasses when nonlinear processes occur in the SSSF channel such as stimulated Raman scattering and broadening of the laser pulse spectrum. The relaxation time of the population at the {sup 4}I{sub 11/2} level and the restoration of transmission in glasses after the termination of the laser pulse are determined by the characteristic sizes of the Nd{sup 3+} ions excitation regions arising in the samples upon interference of the laser and scattered radiation, as well as the thermophysical characteristics of the glasses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Analysis of Organic Electron Materials using Neutron Scattering (Final Report)

Neutron scattering is a powerful suite of measurement techniques that enable unique analysis of structure and dynamics of a wide variety of materials. Specifically, neutrons interact strongly with protons, which enables excellent contrast in light element organic materials that cannot be obtained with any other measurements. This series of three proposals focused on using inelastic neutron scattering (INS) to study the vibrations (dynamics) of the organic molecules involved in organic electronic devices. Our main goals were to demonstrate that INS is capable of elucidating new, useful, and unique knowledge about organic electronic samples that could be used to improve the function of devices or to solve outstanding problems that could not be solved using other measurement techniques. Since all of the goal involved using INS or other neutron techniques to do something “new” a large part of the effort was focused on complex data interpretation and development of modeling workflows that could be used by other members of the organic electronics community to study their materials. To facilitate the goal of making INS measurements more accessible to a broader community and for a wider range of materials, we optimized and engineered the computational workflows to be well documented, publicly available, and user friendly. The individual titles of the three sequential DOE-BES awards are: (1) Engineering doping profiles in organic semiconducting materials, (2) Measurement and modeling of molecular dopant structure and dynamics, and (3) Quantification of Dynamic Disorder in Electronic and Excitonic Organic Materials. For readability, this report is organized to highlight the progress of the research thematically. Many of the ideas started in one grant period and then spilled over into later awards and collaborative research.

36 MATERIALS SCIENCE↗

NASA NTRS1973

Nonlinear propagation of electromagnetic waves in a plasma containing random irregularities.

The problem of propagation of finite-amplitude electromagnetic waves in a plasma containing random irregularities is studied. Using a recently developed perturbation technique, a general equation for finite amplitude coherent waves is derived. Included in this equation are both the effects of quasi-harmonic nonlinear heating of electrons and random scattering by irregularities. The equation is solved in general by the equivalent linearization procedure. The amplitude of the coherent wave is found to be attenuated by collision and scattering. Both attenuation are affected by the nonlinear heating of the electrons. Curves showing the results for a specific example will be presented.

Liu, C. H.↗

NASA NTRS1980

Energy conservation - A test for scattering approximations

The roles of the extinction theorem and energy conservation in obtaining the scattering and absorption cross sections for several light scattering approximations are explored. It is shown that the Rayleigh, Rayleigh-Gans, anomalous diffraction, geometrical optics, and Shifrin approximations all lead to reasonable values of the cross sections, while the modified Mie approximation does not. Further examination of the modified Mie approximation for the ensembles of nonspherical particles reveals additional problems with that method.

Acquista, C.↗

NASA NTRS1986

Problems with deducing ionospheric plasma convection patterns

Problems of constructing an overall convection pattern from various measurements of convection electric fields are examined. Since the measurement techniques used provide information on only a limited spatial region at any time, the construction of the pattern requires a synthesis of data obtained at a variety of times and places. Incoherent scatter radar data for drifting F region plasma are considered as an example.

Sojka, J. J.↗

NASA NTRS1997

Geotail MCA Plasma Wave Investigation Data Analysis

The primary goals of the International Solar Terrestrial Physics/Global Geospace Science (ISTP/GGS) program are identifying, studying, and understanding the source, movement, and dissipation of plasma mass, momentum, and energy between the Sun and the Earth. The GEOTAIL spacecraft was built by the Japanese Institute of Space and Astronautical Science and has provided extensive measurements of entry, storage, acceleration, and transport in the geomagnetic tail and throughout the Earth's outer magnetosphere. GEOTAIL was launched on July 24, 1992, and began its scientific mission with eighteen extensions into the deep-tail region with apogees ranging from around 60 R(sub e) to more than 208 R(sub e) in the period up to late 1994. Due to the nature of the GEOTAIL trajectory which kept the spacecraft passing into the deep tail, GEOTAIL also made 'magnetopause skimming passes' which allowed measurements in the outer magnetosphere, magnetopause, magnetosheath, bow shock, and upstream solar wind regions as well as in the lobe, magnetosheath, boundary layers, and central plasma sheet regions of the tail. In late 1994, after spending nearly 30 months primarily traversing the deep tail region, GEOTAIL began its near-Earth phase. Perigee was reduced to 10 R(sub e) and apogee first to 50 R(sub e) and finally to 30 R(sub e) in early 1995. This orbit provides many more opportunities for GEOTAIL to explore the upstream solar wind, bow shock, magnetosheath, magnetopause, and outer magnetosphere as well as the near-Earth tail regions. The WIND spacecraft was launched on November 1, 1994 and the POLAR spacecraft was launched on February 24, 1996. These successful launches have dramatically increased the opportunities for GEOTAIL and the GGS spacecraft to be used to conduct the global research for which the ISTP program was designed. The measurement and study of plasma waves have made and will continue to make important contributions to reaching the ISTP/GGS goals and solving the significant problems of sun-earth connections. Plasma waves are involved in the energization and de-energization of plasma and energetic particles via numerous wave-particle interaction processes. Plasma waves in many instances are the source for the heating or cooling of the particles. They can cause particle precipitation by scattering particles into the loss cone. They move particles across boundaries in mass and energy dependent ways. Identifying the waves and the instabilities which produce them are thus crucial for understanding the plasma processes. Wave-particle interaction processes are especially important at various boundaries between the different regions of geospace including the bow shock, magnetopause, and interfaces in the geomagnetic tail between the magnetosheath, lobe, plasmasheet, boundary layers, and neutral sheet. In addition to identifying the characteristics of the instabilities and generation mechanisms encountered, plasma wave measurement are used in conjunction with other fields and particle measurements to identify the region of space the spacecraft is in or the boundary that is being crosed.

Anderson, Roger R.↗