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User's manual for two dimensional FDTD version TEA and TMA codes for scattering from frequency-independent dielectic materials

The Penn State Finite Difference Time Domain Electromagnetic Scattering Code Versions TEA and TMA are two dimensional numerical electromagnetic scattering codes based upon the Finite Difference Time Domain Technique (FDTD) first proposed by Yee in 1966. The supplied version of the codes are two versions of our current two dimensional FDTD code set. This manual provides a description of the codes and corresponding results for the default scattering problem. The manual is organized into eleven sections: introduction, Version TEA and TMA code capabilities, a brief description of the default scattering geometry, a brief description of each subroutine, a description of the include files (TEACOM.FOR TMACOM.FOR), a section briefly discussing scattering width computations, a section discussing the scattering results, a sample problem set section, a new problem checklist, references and figure titles.

Beggs, John H.↗

User's manual for two dimensional FDTD version TEA and TMA codes for scattering from frequency-independent dielectric materials

The Penn State Finite Difference Time Domain Electromagnetic Scattering Code Versions TEA and TMA are two dimensional electromagnetic scattering codes based on the Finite Difference Time Domain Technique (FDTD) first proposed by Yee in 1966. The supplied version of the codes are two versions of our current FDTD code set. This manual provides a description of the codes and corresponding results for the default scattering problem. The manual is organized into eleven sections: introduction, Version TEA and TMA code capabilities, a brief description of the default scattering geometry, a brief description of each subroutine, a description of the include files (TEACOM.FOR TMACOM.FOR), a section briefly discussing scattering width computations, a section discussing the scattering results, a sample problem setup section, a new problem checklist, references, and figure titles.

Beggs, John H.↗

Toward model-free temperature diagnostics of warm dense matter from multiple scattering angles

Warm dense matter plays an important role in astrophysical objects and technological applications, but the rigorous diagnostics of corresponding experiments is notoriously difficult. In this work, we present a model-free analysis of x-ray Thomson scattering (XRTS) measurements on isochorically heated graphite obtained at the Linac Coherent Light Source at multiple scattering angles. We demonstrate that the recent imaginary-time thermometry technique works for scattering data that have been measured in both forward and backward scattering geometry. This opens up the way toward a rigorous quantification of nonequilibrium effects in future experiments, where XRTS measurements are being obtained from multiple scattering angles from the same sample.

Equations of state↗

User's manual for three dimensional FDTD version B code for scattering from frequency-dependent dielectric materials

The Penn State Finite Difference Time Domain Electromagnetic Code Version B is a three dimensional numerical electromagnetic scattering code based upon the Finite Difference Time Domain Technique (FDTD). The supplied version of the code is one version of our current three dimensional FDTD code set. This manual provides a description of the code and corresponding results for several scattering problems. The manual is organized into 14 sections: introduction, description of the FDTD method, operation, resource requirements, Version B code capabilities, a brief description of the default scattering geometry, a brief description of each subroutine, a description of the include file, a discussion of radar cross section computations, a discussion of some scattering results, a sample problem setup section, a new problem checklist, references and figure titles.

Beggs, John H.↗

User's manual for three dimensional FDTD version D code for scattering from frequency-dependent dielectric and magnetic materials

The Penn State Finite Difference Time Domain Electromagnetic Scattering Code version D is a 3-D numerical electromagnetic scattering code based upon the finite difference time domain technique (FDTD). The manual provides a description of the code and corresponding results for several scattering problems. The manual is organized into 14 sections: introduction; description of the FDTD method; operation; resource requirements; version D code capabilities; a brief description of the default scattering geometry; a brief description of each subroutine; a description of the include file; a section briefly discussing Radar Cross Section computations; a section discussing some scattering results; a sample problem setup section; a new problem checklist; references and figure titles. The FDTD technique models transient electromagnetic scattering and interactions with objects of arbitrary shape and/or material composition. In the FDTD method, Maxwell's curl equations are discretized in time-space and all derivatives (temporal and spatial) are approximated by central differences.

Beggs, John H.↗

User's manual for three dimensional FDTD version C code for scattering from frequency-independent dielectric and magnetic materials

The Penn State Finite Difference Time Domain Electromagnetic Scattering Code Version C is a three-dimensional numerical electromagnetic scattering code based on the Finite Difference Time Domain (FDTD) technique. The supplied version of the code is one version of our current three-dimensional FDTD code set. The manual given here provides a description of the code and corresponding results for several scattering problems. The manual is organized into 14 sections: introduction, description of the FDTD method, operation, resource requirements, Version C code capabilities, a brief description of the default scattering geometry, a brief description of each subroutine, a description of the include file (COMMONC.FOR), a section briefly discussing radar cross section computations, a section discussing some scattering results, a new problem checklist, references, and figure titles.

Beggs, John H.↗

User's manual for three dimensional FDTD version B code for scattering from frequency-dependent dielectric materials

The Penn State Finite Difference Time Domain Electromagnetic Scattering Code Version B is a three dimensional numerical electromagnetic scattering code based upon the Finite Difference Time Domain Technique (FDTD). The supplied version of the code is one version of our current three dimensional FDTD code set. This manual provides a description of the code and corresponding results for several scattering problems. The manual is organized into fourteen sections: introduction, description of the FDTD method, operation, resource requirements, Version B code capabilities, a brief description of the default scattering geometry, a brief description of each subroutine, a description of the include file (COMMONB.FOR), a section briefly discussing Radar Cross Section (RCS) computations, a section discussing some scattering results, a sample problem setup section, a new problem checklist, references and figure titles.

Beggs, John H.↗

User's manual for three dimensional FDTD version C code for scattering from frequency-independent dielectric and magnetic materials

The Penn State Finite Difference Time Domain Electromagnetic Scattering Code Version C is a three dimensional numerical electromagnetic scattering code based upon the Finite Difference Time Domain Technique (FDTD). The supplied version of the code is one version of our current three dimensional FDTD code set. This manual provides a description of the code and corresponding results for several scattering problems. The manual is organized into fourteen sections: introduction, description of the FDTD method, operation, resource requirements, Version C code capabilities, a brief description of the default scattering geometry, a brief description of each subroutine, a description of the include file (COMMONC.FOR), a section briefly discussing Radar Cross Section (RCS) computations, a section discussing some scattering results, a sample problem setup section, a new problem checklist, references and figure titles.

Beggs, John H.↗

User's manual for three dimensional FDTD version D code for scattering from frequency-dependent dielectric and magnetic materials

The Penn State Finite Difference Time Domain Electromagnetic Scattering Code Version D is a three dimensional numerical electromagnetic scattering code based upon the Finite Difference Time Domain Technique (FDTD). The supplied version of the code is one version of our current three dimensional FDTD code set. This manual provides a description of the code and corresponding results for several scattering problems. The manual is organized into fourteen sections: introduction, description of the FDTD method, operation, resource requirements, Version D code capabilities, a brief description of the default scattering geometry, a brief description of each subroutine, a description of the include file (COMMOND.FOR), a section briefly discussing Radar Cross Section (RCS) computations, a section discussing some scattering results, a sample problem setup section, a new problem checklist, references and figure titles.

Beggs, John H.↗

User's manual for three dimensional FDTD version A code for scattering from frequency-independent dielectric materials

The Penn State Finite Difference Time Domain (FDTD) Electromagnetic Scattering Code Version A is a three dimensional numerical electromagnetic scattering code based on the Finite Difference Time Domain technique. The supplied version of the code is one version of our current three dimensional FDTD code set. The manual provides a description of the code and the corresponding results for the default scattering problem. The manual is organized into 14 sections: introduction, description of the FDTD method, operation, resource requirements, Version A code capabilities, a brief description of the default scattering geometry, a brief description of each subroutine, a description of the include file (COMMONA.FOR), a section briefly discussing radar cross section (RCS) computations, a section discussing the scattering results, a sample problem setup section, a new problem checklist, references, and figure titles.

Beggs, John H.↗

Detection of Objects Hidden in Highly Scattering Media Using Time-Gated Imaging Methods

Non-intrusive and non-invasive optical imaging techniques has generated great interest among researchers for their potential applications to biological study, device characterization, surface defect detection, and jet fuel dynamics. Non-linear optical parametric amplification gate (NLOPG) has been used to detect back-scattered images of objects hidden in diluted Intralipid solutions. To directly detect objects hidden in highly scattering media, the diffusive component of light needs to be sorted out from early arrived ballistic and snake photons. In an optical imaging system, images are collected in transmission or back-scattered geometry. The early arrival photons in the transmission approach, always carry the direct information of the hidden object embedded in the turbid medium. In the back-scattered approach, the result is not so forth coming. In the presence of a scattering host, the first arrival photons in back-scattered approach will be directly photons from the host material. In the presentation, NLOPG was applied to acquire time resolved back-scattered images under the phase matching condition. A time-gated amplified signal was obtained through this NLOPG process. The system's gain was approximately 100 times. The time-gate was achieved through phase matching condition where only coherent photons retain their phase. As a result, the diffusive photons, which were the primary contributor to the background, were removed. With a large dynamic range and high resolution, time-gated early light imaging has the potential for improving rocket/aircraft design by determining jets shape and particle sizes. Refinements to these techniques may enable drop size measurements in the highly scattering, optically dense region of multi-element rocket injectors. These types of measurements should greatly enhance the design of stable, and higher performing rocket engines.

Galland, Pierre A.↗

Ferroaxial phonons in chiral and polar Ni⁢Co 2 ⁢Te⁢O 6

Perfect circular dichroism has been observed in Raman scattering by optical phonons in single chiral domain NiCo 2 TeO 6 crystals. The selection rules for optical phonons are determined by the combination of the chiral structure C and electric polarization P along the c axis. These two symmetry operations are equivalent to the ferroaxial order (C·P) = A, so the observed optical phonons are referred to as ferroaxial. For a given Raman scattering geometry, the observed effect may also be described as a perfect nonreciprocal propagation of the ferroaxial optical phonons, whose preferable q-vector direction is determined by the sign of A. Here, the combination of Raman scattering and polarization plane rotation of the transmitted white light allows for identification of the direction of electric polarization P in monodomain chiral crystals. In addition to the ferroaxial selection rules for optical phonons, a weaker ferroaxial dichroism was observed for the magnon peak at 18 cm −1 .

Altermagnets↗

High-resolution Compton spectroscopy using x-ray microcalorimeters

X-ray Compton spectroscopy is one of the few direct probes of the electron momentum distribution of bulk materials in ambient and operando environments. Herein, we report high-resolution inelastic x-ray scattering experiments with high momentum and energy transfer performed at a storage-ring-based high-energy x-ray light source facility using an x-ray transition-edge sensor (TES) microcalorimeter detector. The performance was compared with a silicon drift detector (SDD), an energy-resolving semiconductor detector, and Compton profiles were measured for lithium and cobalt oxide powders relevant to lithium-ion battery research. Spectroscopic analysis of the measured Compton profiles demonstrates the high-sensitivity to the low- Z elements and oxidation states. The line shape analysis of the measured Compton profiles in comparison with computed Hartree–Fock profiles is usually limited by the resolution of the semiconductor detector. We have characterized an x-ray TES microcalorimeter detector for high-resolution Compton scattering experiments using a bending magnet source at the Advanced Photon Source with a double crystal monochromator, providing monochromatic photon energies near 27.5 keV. The momentum resolution below 0.16 atomic units (a.u.) was measured, yielding an improvement of more than a factor of 7 over a state-of-the-art SDD for the same scattering geometry. Furthermore, the lineshapes of narrow valence and broad core electron profiles of sealed lithium metal were clearly resolved using an x-ray TES compared to smeared and broadened lineshapes observed when using the SDD. High-resolution Compton scattering using the energy-resolving area detector shown here presents new opportunities for spatial imaging of electron momentum distributions for a wide class of materials with applications ranging from electrochemistry to condensed matter physics.

47 OTHER INSTRUMENTATION↗

Genetic algorithm-based geometry calibration for dynamic compression x-ray diffraction experiments

An important component of dynamic compression x-ray diffraction (XRD) experiment analysis is geometry calibration: proper data interpretation requires knowledge of the precise detector position and orientation and, if the experiment involves a single-crystal sample, knowledge of the lattice orientation. The determination of these parameters in the arbitrary three-dimensional (3D) scattering geometries often present in dynamic compression facilities is challenging, as the associated optimization problem can be highly nonlinear, nonsmooth, and discontinuous. We present a genetic algorithm-based approach for performing dynamic compression XRD calibrations that overcomes these obstacles. We provide details regarding the image processing, algorithm implementation, and open-source software deployment and demonstrate the capability of the approach to calibrate the detector and crystal parameters in 3D geometries. Notably, we demonstrate the solver’s capacity to find the crystal orientation without a priori rotation constraints.

Brown, Nathan P. [Sandia National Laboratories (SN↗

Lattice dynamics of alpha-uranium measured on ARCS.

The combined inelastic neutron scattering data from ARCS for alpha-Uranium single crystal measured at 300K, 200K, 70K and 20K. The incident neutron energy was 30 meV. To obtain a significant four-dimensional Q-E volume, the crystal was measured in two scattering geometries, with the [001] and [011] directions oriented along the vertical rotations axis. For each geometry, the crystal was rotated in 1 degree steps with respect to the incident beam. All the individual angles data files at each temperature were merged and analyzed using SHIVER software package (https://neutrons.github.io/Shiver/). The files labeled a_U_HKL_20K_new.nxs, a_U_HKL_70K.nxs, a_U_HKL_200K.nxs and a_U_HKL_300K.nxs are for [011] oriented scattering at 20K, 70K, 200K, and 300K respectively. The files labeled a_U_HK0_70K.nxs, a_U_HK0_200K.nxs and a_U_HK0_300K.nxs are for [001] oriented scattering at temperatures 70K, 200K and 300K respectively.

36 MATERIALS SCIENCE↗

The wavelength dependence of polarization in NGC 2023

NGC 2023 is a bright reflection nebula illuminated by the central star HD37903. At 2 microns the nebula is seen solely by reflected light from the central star but in the NIR there is excess radiation that is supposed to arise from thermal emission from a population of small grains (Sellgren, 1984). The unexpectedly high surface brightness at R and I wavelengths has led to the suggestion that even at these wavelengths there is a significant contribution from this thermal emission process (Witt, Schild, and Kraiman, 1984). If the nebula is seen by reflected starlight then this radiation will be linearly polarized. The level of polarization depends on the scattering geometry, grain size distribution, etc., and is typically 20 to 40 percent for nebulae such as NGC 1999 which is morphologically similar to NGC 2023. If, in any waveband, there is a contribution of radiation from emission processes this radiation will be unpolarized and will serve to dilute the scattered radiation to give a lower level of observed polarization. A study of the wavelength dependence of polarization in nebulae in which there may be thermal emission from grains will indicate the contribution from this process to the total luminosity. Polarization maps were produced in BVRI wavebands for the NGC 2023 nebulosity which confirm that at all wavelengths it is a reflection nebula illuminated by a central star. The wavelength dependence of polarization at representative points in the nebula and in a scatter plot of polarization in V and I wavebands at all points at which measurements are given. Results indicate that throughout the nebula there is a general trend for the level of polarization to increase with wavelength and that maximum levels of polarization occur at the longest wavelengths. No evidence is seen in the data for any significant contribution from the thermal emission from grains in the BVRI luminosity of NGC 2023.

Rolph, C. D.↗

Testbed Results for Scalar and Vector Radiative Transfer Computations of Light in Atmosphere-Ocean Systems

We generate and tabulate reflectance values of the Stokes parameters I, Q, and U of upwelling radiance just above a rough ocean surface and at the top of the atmosphere (TOA) for 100 scattering geometries, four atmosphere-ocean systems, and four wavelengths. The atmosphere-ocean systems increase in complexity from (a) a molecular atmosphere above a rough ocean surface (AOS-I model); to (b) a pure water body below a rough ocean surface (AOS-II model); to (c) a fully-coupled simple atmosphere-ocean system (AOS-III model) containing a molecular atmosphere, rough ocean surface, and pure water; to (d) a fully-coupled complex atmosphere-ocean system (AOS-IV model) that includes scattering by molecules, rough ocean surface, pure water, and hydrosols. Our wavelengths (350, 450, 550, and 650 nm) capture the ultraviolet-visible range. Our tables provide radiative transfer (RT) testbed results for atmosphere-ocean systems with an accuracy that surpasses the measurement accuracy of state-of-the-art polarimeters. To validate the accuracy of these tables we performed computations using three independent RT codes that provide deterministic numerical solutions for the RT equation. The agreement is 10(exp –5) for AOS-IV model, and 10(exp –6) for the other models. The degree of linear polarization computed by these RT codes differs by ≤0.2% for 15 isolated cases of tabulated reflectance values, and by ≤0.1% for all remaining cases. We also provide comparisons with results obtained by a stochastic RT code for AOS-I model. The agreement between the deterministic and stochastic results for this model is 10(exp –5) at TOA, and 10(exp –6) above the ocean surface.

Polarimeters↗

Elastic scattering of electrons from SO2

A crossed electron beam-molecular beam scattering geometry and the relative-flow technique are used to measure the ratios of the elastic differential cross sections of SO2 to those of He at electron impact energies of 12, 20, 50, 100, 150, and 200 eV. At each energy, an angular range of 15-150 deg is covered. The ratios are multiplied by previously known He elastic differential cross sections to obtain elastic differential cross sections for SO2. Integral and momentum transfer cross sections are then determined from a knowledge of differential cross sections. With the aid of the two-potential theory of e-molecule scattering, calculations are also performed and compared with the measurements.

Orient, O. J.↗