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DOE OSTI2016

Multigroup Transport Equations Derived via Homogeneity and Isotropy Restoration Theory

The multigroup neutron transport calculation at a cell-level or assembly-level is a key step in conventional deterministic reactor analysis. As the computing power grows, it is contemplated that the multigroup transport equation itself be used in whole-core calculation. While the continuous-energy transport equation is derived straightforwardly and rigorously, the multigroup transport equation currently in use involves several approximations during its derivation. Recently, we proposed the Homogeneity and Isotropy Restoration (HIRE) theory in a preliminary form for deriving a multigroup transport equation that maintains angle-independence in the total cross section and homogeneity in the material region (originally each material region is usually homogeneous by design). As a byproduct, only the isotropic scattering term remained, which also relieved the computational burden significantly. In the Homogeneity and Isotropy Restoration (HIRE) theory, we introduced a discontinuity factor in the form of partial current discontinuity factor (PCDF) at the material interface. In this paper, we elaborate on the HIRE theory and apply it to several typical pin-cell problems. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers

In this study, we present a complete set of electron scattering cross-sections from 1-Methyl-5-Nitroimidazole (1M5NI) molecules for impact energies ranging from 0.1 to 1000 eV. This information is relevant to evaluate the potential role of 1M5NI as a molecular radiosensitizers. The total electron scattering cross-sections (TCS) that we previously measured with a magnetically confined electron transmission apparatus were considered as the reference values for the present analysis. Elastic scattering cross-sections were calculated by means of two different schemes: The Schwinger multichannel (SMC) method for the lower energies (below 15 eV) and the independent atom model-based screening-corrected additivity rule with interferences (IAM-SCARI) for higher energies (above 15 eV). The latter was also applied to calculate the total ionization cross-sections, which were complemented with experimental values of the induced cationic fragmentation by electron impact. Double differential ionization cross-sections were measured with a reaction microscope multi-particle coincidence spectrometer. Using a momentum imaging spectrometer, direct measurements of the anion fragment yields and kinetic energies by the dissociative electron attachment are also presented. Cross-sections for the other inelastic channels were derived with a self-consistent procedure by sampling their values at a given energy to ensure that the sum of the cross-sections of all the scattering processes available at that energy coincides with the corresponding TCS. This cross-section data set is ready to be used for modelling electron-induced radiation damage at the molecular level to biologically relevant media containing 1M5NI as a potential radiosensitizer. Nonetheless, a proper evaluation of its radiosensitizing effects would require further radiobiological experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1992

Microstructure characterization by angle-resolved scatter and comparison to measurements made by other techniques

The theory and measurement of angle-resolved scatter are described. Values of rms roughness that were obtained by using this technique to characterize four different materials are compared with values that were obtained by using a total integrated scatter measuring instrument, an optical profiler, and a mechanical profiler. The spatial frequency bandwidths and modulation transfer functions of the four instruments are different, and results are described in light of these differences.

Jacobson, R. D.↗

DOE OSTI2011

High-energy photon-hadron scattering in holographic QCD

This article provides an in-depth look at hadron high-energy scattering by using gravity dual descriptions of strongly coupled gauge theories. Just like deeply inelastic scattering (DIS) and deeply virtual Compton scattering (DVCS) serve as clean experimental probes into nonperturbative internal structure of hadrons, elastic scattering amplitude of a hadron and a (virtual) photon in gravity dual can be exploited as a theoretical probe. Since the scattering amplitude at sufficiently high energy (small Bjorken x) is dominated by parton contributions (=Pomeron contributions) even in strong coupling regime, there is a chance to learn a lesson for generalized parton distribution (GPD) by using gravity dual models. We begin with refining derivation of the Brower-Polchinski-Strassler-Tan (BPST) Pomeron kernel in gravity dual, paying particular attention to the role played by the complex spin variable j. The BPST Pomeron on warped spacetime consists of a Kaluza-Klein tower of 4D Pomerons with nonlinear trajectories, and we clarify the relation between Pomeron couplings and the Pomeron form factor. We emphasize that the saddle-point value j* of the scattering amplitude in the complex j-plane representation is a very important concept in understanding qualitative behavior of the scattering amplitude. The total Pomeron contribution to the scattering is decomposed into the saddle-point contribution and at most a finite number of pole contributions, and when the pole contributions are absent (which we call saddle-point phase), kinematical variable (q,x,t)-dependence of ln(1/q) evolution and ln(1/x) evolution parameters {gamma}{sub eff} and {lambda}{sub eff} in DIS and t-slope parameter B of DVCS in HERA experiment are all reproduced qualitatively in gravity dual. All of these observations shed a new light on modeling of GPD. Straightforward application of those results to other hadron high-energy scattering is also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Electron Transitions during the Capture of an Electron by a He{sup 2+} Ion at the Argon Atom

We have measured the absolute values of the total cross section of the one-electron capture by He{sup 2+} ions in the kinetic energy range 2–30 keV at the Ar atoms. The absolute values of the differential scattering cross sections of He{sup +} ions formed during the one-electron capture and the electron capture with ionization at energies of 2.2, 5.4, and 30 keV have been determined. The electronic states of the formed ions have been determined using collision spectroscopy based on analysis of the change in the kinetic energy of He{sup +} after the interaction. We have measured doubly differential (with respect to the kinetic energy and the scattering angle) cross sections of the formation of free electrons. The free electron formation channels (direct ionization and electron capture with ionization) have been analyzed by calculating the electron terms of the (HeAr){sup 2+} system. The calculated cross section of capture with ionization is in conformity with the cross section measured using collision spectroscopy.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2011

Coulomb excitation of highly charged projectile ions in relativistic collisions with diatomic molecules

We investigate the Coulomb excitation of highly charged ions colliding with diatomic molecules. In this process, the coherent interaction between the projectile electron and two molecular centers may cause clear interference patterns in the (collision) energy dependencies of the total cross sections and alignment parameters. We discuss such a Young-type interference for the particular case of the K{yields}L excitation of hydrogen- and helium-like projectile ions. Calculations, performed for the scattering of these ions on nitrogen molecules, indicate that the interference effects are extremely sensitive to the collisional geometry and are pronounced only if the molecular axis is aligned almost parallel to the incident beam trajectory.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1973

The infrared properties of reusable surface insulations.

The total infrared scattering and absorption cross sections of both flexible and rigidized high temperature fibrous insulations have been measured. The methods for accomplishing these measurements are described. Infrared reflection and transmission spectra were obtained to study the dependence of the total cross sections on the spectral characteristics of the transported radiation. These results are applied to steady-state effective thermal conductivity measurements via a four-flux model of radiative heat transfer to separate the radiative component and to calculate the effective thermal conductivity under transient heating conditions. Data for both silica and mullite fibers are presented.

Schmitt, R. J.↗

DOE OSTI2024

Local spin structure in the layered van der Waals materials MnPS 𝑥 ⁢Se 3−𝑥

Two-dimensional (2D) layered materials, whether in bulk form or reduced to just a single layer, have potential applications in spintronics and capacity for advanced quantum phenomena. A prerequisite for harnessing these opportunities lies in gaining a comprehensive understanding of the spin behavior in 2D materials. The low dimensionality motivates an understanding of the spin correlations over a wide length scale, from local to long-range order. In this context, we focus on the magnetism in bulk MnPSe 3 and MnPS 3 , 2D layered van der Waals antiferromagnetic semiconductors. These materials have similar honeycomb Mn layers and magnetic ordering temperatures, but distinct spin orientations and exchange interactions. Here, we utilize neutron scattering to gain deeper insights into the local magnetic structures and spin correlations in the paramagnetic and ordered phases by systematically investigating a MnPS 𝑥 ⁢Se 3−𝑥 (𝑥 = 0, 1, 1.5, 2, 3) series of powder samples using total neutron scattering measurements. By employing magnetic pair distribution function analysis, we unraveled the short-range magnetic correlations in these materials and explored how the nonmagnetic anion S/Se mixing impacts the magnetic correlations. The results reveal that the magnetism can be gradually tuned through alteration of the nonmagnetic S/Se content, which tunes the atomic structure. The change in magnetic structure is also accompanied by a control of the magnetic correlation length within the 2D honeycomb layers. Complimentary inelastic neutron scattering measurements allowed a quantification of the change in the magnetic exchange interactions for the series and further highlighted the gradual evolution of spin interactions in the series MnPS 𝑥 ⁢Se 3−𝑥 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1980

Scattering defects in silver mirror coatings

Scatter centers common to protected silver have been investigated on a variety of space flight quality mirrors. The defects have been characterized as to number density, size, location within the film layer structure, and dependence on illumination angle. In addition the total integrated scatter values as a function of wavelength, humidity test soak time, and temperature have been determined for some mirrors. These submicrometer sized defects are believed to be the precursors of silver corrosion spots. A mechanism for their generation is proposed, and measures to reduce their occurrence are suggested.

Pellicori, S. F.↗

DOE OSTI2018

The P2 experiment: A future high-precision measurement of the weak mixing angle at low momentum transfer

Here we describe the research and development work for the P 2 experiment which aims for a high precision determination of the weak mixing angle sin 2 θ W to a precision of 0.15% at a four-momentum transfer of 4.5×10 –3 GeV 2 . This accuracy, comparable to existing measurements at the Z pole, allows for a sensitive test of the Standard Model up to a mass scale of 50 TeV, extendable to 60 TeV. The weak mixing angle is connected to the weak charge of the proton which will be extracted from a measurement of the parity violating cross section asymmetry –39.94×10 –9 in elastic electron-proton scattering. A total accuracy of 0.57×10 –9 is achievable in a measurement time of 11000 h using a 150μA polarized electron beam impinging on a 60 cm liquid hydrogen target. The P 2 asymmetry is smaller than any asymmetry measured so far in electron scattering with an unprecedented goal for the accuracy. The use of a solenoid spectrometer with 100% Φ-acceptance as well as an atomic hydrogen trap polarimeter are new features, which have never before been used in parity-violation experiments. In order to collect the enormous statistics required for this measurement, the new Mainz Energy-Recovering Superconducting Accelerator (MESA) is under construction. Plans for the associated beam control system and the polarimetry are described in this article as well. A liquid hydrogen high-power target with an extremely low noise level of 10 ppm needs to be designed and constructed. We report in addition on the conceptual design of the P 2 spectrometer, its Cherenkov detectors, the integrating read-out electronics as well as the ultra-thin, fast tracking detectors. The physics program of the MESA facility comprises indirect, high precision search for physics beyond the Standard Model, measurement of the neutron distribution in nuclear physics, single-spin asymmetries, and a possible future extension to the measurement of hadronic parity violation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2001

Rayleigh Scattering Diagnostic for Dynamic Measurement of Velocity and Temperature

A new technique for measuring dynamic gas velocity and temperature is described. The technique is based on molecular Rayleigh scattering of laser light, so no seeding of the flow is necessary. The Rayleigh scattered light is filtered with a fixed cavity, planar mirror Fabry-Perot interferometer. A minimum number of photodetectors were used in order to allow the high data acquisition rate needed for dynamic measurements. One photomultiplier tube (PMT) was used to measure the total Rayleigh scattering, which is proportional to the gas density. Two additional PMTs were used to detect light that passes through two apertures in a mask located in the interferometer fringe plane. An uncertainty analysis was used to select the optimum aperture parameters and to predict the measurement uncertainty due to photon shot-noise. Results of an experiment to measure the velocity of a subsonic free jet are presented.

Seasholtz, Richard G.↗

NASA NTRS1986

A high frequency analysis of electromagnetic plane wave scattering by perfectly-conducting semi-infinite parallel plate and rectangular waveguides with absorber coated inner walls

An approximate but sufficiently accurate high frequency solution which combines the uniform geometrical theory of diffraction (UTD) and the aperture integration (AI) method is developed for analyzing the problem of electromagnetic (EM) plane wave scattering by an open-ended, perfectly-conducting, semi-infinite hollow rectangular waveguide (or duct) with a thin, uniform layer of lossy or absorbing material on its inner wall, and with a planar termination inside. In addition, a high frequency solution for the EM scattering by a two dimensional (2-D), semi-infinite parallel plate waveguide with a absorber coating on the inner walls is also developed as a first step before analyzing the open-ended semi-infinite three dimensional (3-D) rectangular waveguide geometry. The total field scattered by the semi-infinite waveguide consists firstly of the fields scattered from the edges of the aperture at the open-end, and secondly of the fields which are coupled into the waveguide from the open-end and then reflected back from the interior termination to radiate out of the open-end. The first contribution to the scattered field can be found directly via the UTD ray method. The second contribution is found via the AI method which employs rays to describe the fields in the aperture that arrive there after reflecting from the interior termination. It is assumed that the direction of the incident plane wave and the direction of observation lie well inside the forward half space tht exists outside the half space containing the semi-infinite waveguide geometry. Also, the medium exterior to the waveguide is assumed to be free space.

Noh, H. M.↗

NASA NTRS1985

Bremsstrahlung in the scattering of low-energy electrons by neutral atomic systems

By elementary methods, the cross section for electron-atom and electron-molecule bremsstrahlung is computed in the limit when the incident electron energy is much less than Ry. The procedure employs the classical soft-photon emission probability formula for general (h/2pi)(omega), yielding a simple expression for the bremsstrahlung cross section in terms of the total elastic scattering cross section. The validity of the method is discussed, and results are compared with more elaborate and accurate calculations. Comparison is made with ('free-free') opacity calculations for the associated process at the temperature (6300 K) of the solar atmosphere. For chi sub omega = (h/2pi)(omega)/kT = 1, the computed absorption coefficient is within 2, 7, and 12 percent of accurate calculations for scatterings by H, He, and H2, respectively. The general dependence of the opacity on chi sub omega is described well by the simple formula, although the error is larger for higher chi sub omega; it is suggested that the inaccuracy at high frequencies is due to the failure of the soft-photon approximation.

Gould, R. J.↗

DOE OSTI2021

Temperature Dependent Local Atomic Structure and Vibrational Dynamics of Barium Hydride and Calcium Hydride

Solid-state ionic conductors that exhibit pure ionic transport of hydride anions are rare. Here, we investigate two alkaline earth metal hydrides, barium hydride and calcium hydride, using neutron scattering techniques to understand how the local atomic environment plays a role in the diffusion of hydride ions. At high temperatures, barium hydride exhibits exceptional transport properties with ionic conductivities that are higher than those of many of the typical proton and oxide ion conductors in use today. Total neutron scattering and pair distribution function analysis reveal how a structural phase transition converts barium hydride from a modest ionic conductor into a fast ionic conductor through the introduction of disorder, deuterium site splitting, and dynamic structural fluctuations. Furthermore, neutron vibrational spectroscopy is employed to probe changes in the temperature evolution of the lattice dynamics and local energy landscape. These results improve our fundamental knowledge of the interplay between structure and dynamics governing a rare conduction process of hydride ions in solid-state materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Determining Best Estimates and Uncertainties in Cloud Microphysical Parameters from ARM Field Data: Implications for Models, Retrieval Schemes and Aerosol-Cloud-Radiation Interactions

We proposed to analyze in-situ cloud data collected during ARM/ASR field campaigns to create databases of cloud microphysical properties and their uncertainties as needed for the development of improved cloud parameterizations for models and remote sensing retrievals, and for evaluation of model simulations and retrievals. In particular, we proposed to analyze data collected over the Southern Great Plains (SGP) during the Mid-latitude Continental Convective Clouds Experiment (MC3E), the Storm Peak Laboratory Cloud Property Validation Experiment (STORMVEX), the Small Particles in Cirrus (SPARTICUS) Experiment and the Routine AAF Clouds with Low Optical Water Depths (CLOWD) Optical Radiative Observations (RACORO) field campaign, over the North Slope of Alaska during the Indirect and Semi-Direct Aerosol Campaign (ISDAC) and the Mixed-Phase Arctic Cloud Experiment (M-PACE), and over the Tropical Western Pacific (TWP) during The Tropical Warm Pool International Cloud Experiment (TWP-ICE), to meet the following 3 objectives; derive statistical databases of single ice particle properties (aspect ratio AR, dominant habit, mass, projected area) and distributions of ice crystals (size distributions SDs, mass-dimension m-D, area-dimension A-D relations, mass-weighted fall speeds, single-scattering properties, total concentrations N, ice mass contents IWC), complete with uncertainty estimates; assess processes by which aerosols modulate cloud properties in arctic stratus and mid-latitude cumuli, and quantify aerosol’s influence in context of varying meteorological and surface conditions; and determine how ice cloud microphysical, single-scattering and fall-out properties and contributions of small ice crystals to such properties vary according to location, environment, surface, meteorological and aerosol conditions, and develop parameterizations of such effects.In this report we describe the accomplishments that we made on all 3 research objectives.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Extended q -Range X-Ray Scattering Reveals High-Resolution Structural Details of Biomacromolecules in Aqueous Solutions

Here, we communicate a feasibility study for high-resolution structural characterization of biomacromolecules in aqueous solution from X-ray scattering experiments measured over a range of scattering vectors (q) that is approximately two orders of magnitude wider than used previously for such systems. Scattering data with such an extended q-range enables the recovery of the underlying real-space atomic pair distribution function, which facilitates structure determination. We demonstrate the potential of this method for biomacromolecules using several types of cyclodextrins (CD) as model systems. We successfully identified deviations of the tilting angles for the glycosidic units in CDs in aqueous solutions relative to their values in the crystalline forms of these molecules. Such level of structural detail is inaccessible from standard small angle scattering measurements. Our results call for further exploration of ultra-wide-angle X-ray scattering measurements for biomacromolecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2012

Enhanced-Adhesion Multi-Walled Carbon Nanotubes on Titanium Substrates for Stray Light Control

Carbon nanotubes previously grown on silicon have extremely low reflectance, making them a good candidate for stray light suppression. Silicon, however, is not a good structural material for stray light components such as tubes, stops, and baffles. Titanium is a good structural material and can tolerate the 700 C nanotube growth process. The ability to grow carbon nanotubes on a titanium substrate that are ten times blacker than the current NASA state-of-the-art paints in the visible to near infrared spectra has been achieved. This innovation will allow significant improvement of stray light performance in scientific instruments or any other optical system. This innovation is a refinement of the utilization of multiwalled carbon nano tubes for stray light suppression in spaceflight instruments. The innovation is a process to make the surface darker and improve the adhesion to the substrate, improving robustness for spaceflight use. Bright objects such as clouds or ice scatter light off of instrument structures and components and make it difficult to see dim objects in Earth observations. A darker material to suppress this stray light has multiple benefits to these observations, including enabling scientific observations not currently possible, increasing observational efficiencies in high-contrast scenes, and simplifying instruments and lowering their cost by utilizing fewer stray light components and achieving equivalent performance. The prior art was to use commercially available black paint, which resulted in approximately 4% of the light being reflected (hemispherical reflectance or total integrated scatter, or TIS). Use of multiwalled carbon nanotubes on titanium components such as baffles, entrance aperture, tubes, and stops, can decrease this scattered light by a factor of ten per bounce over the 200-nm to 2,500-nm wavelength range. This can improve system stray light performance by orders of magnitude. The purpose of the innovation is to provide an enhanced stray light control capability by making a blacker surface treatment for typical stray light control components. Since baffles, stops, and tubes used in scientific observations often undergo loads such as vibration, it was critical to develop this surface treatment on structural materials. The innovation is to optimize the carbon nanotube growth for titanium, which is a strong, lightweight structural material suitable for spaceflight use. The titanium substrate carbon nanotubes are more robust than those grown on silicon and allow for easier utilization. They are darker than current surface treatments over larger angles and larger wavelength range. The primary advantage of titanium substrate is that it is a good structural material, and not as brittle as silicon.

Hagopian, John↗

DOE OSTI2019

Modified Bridgman anvils for high pressure synthesis and neutron scattering

A simple modified Bridgman design for large volume pressure anvils usable in the Paris-Edinburgh (PE) press has been demonstrated at Oak Ridge National Laboratory Spallation Neutron Source. The design shows advantages over the toroidal anvils typically used in the PE press, mainly rapid compression/decompression rates, complete absence of blow-outs upon drastic phase transitions, simplified cooling, high reliability, and relative low loads (~40 tons) corresponding to relatively high pressures (~20 GPa). It also shows advantages over existing large-volume diamond cells as sample volumes of ~2-3 mm 3 can be easily and rapidly synthesized. The anvils thus allow sample sizes sufficient for in situ neutron diffraction as well as rapid synthesis of adequate amounts of new materials for ex situ analysis via total neutron scattering and neutron spectroscopy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗