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At least 487 records · Page 27

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NASA NTRS2022

Scattering By Relatively Small Oblate Spheroidal Drops of Water in the Rainbow Region: T-Matrix Results and Geometric Interpretation

Late in 1999 Michael Mishchenko carried out T-matrix calculations of light scattered by oblate spheroidal drops of water at Marston's request. The purpose of the investigation was to determine if the caustic features, known by that time to be visible in the far-field scattering near the primary rainbow region for horizontally illuminated relatively large drops, would also be present in T-matrix calculations of the scattering by small drops. The axis of rotational symmetry of the drop was taken to be vertical, and the illumination was taken to be horizontal. Scattering into the relevant angular region was evaluated for drop aspect ratios D/H = 1, 1.23, 1.311, and 1.37 where D denotes the equatorial diameter and H the vertical diameter. The results are limited to polarized monochromatic illumination with ka = 140 where a = D/2 and k = 2π/λ with λ being the wavelength of the illumination. As expected from geometrical analysis, a horizontal “V” shaped caustic is visible for D/H = 1.311. The T-matrix results, gray-tone intensity displays provided by Mishchenko, remain instructive.

Scattering by spheroids↗

NASA NTRS2023

Quantitative Gas Property Measurements By Filtered Rayleigh Scattering: A Review

Filtered Rayleigh scattering (FRS) is a laser-based diagnostic technique used to nonintrusively quantify various thermodynamic properties of a light-scattering gas. The backbone of FRS is the molecular filtering of Rayleigh scattered light. This concept was initially introduced by the atmospheric LIDAR community before being adopted within the aerospace research field in the early 1990s. Since then, FRS has matured into a versatile quantitative diagnostic tool and has found use in a variety of flow regimes ranging from sub- to supersonic speeds in both reacting and nonreacting environments. This adoption can be attributed to the wealth of information that can be obtained via FRS, including the gas density, pressure, temperature, velocity, species composition, or, in some cases, several of these properties at once. This article reviews the current state of FRS methodology in recovering such gas properties. As knowledge of the fundamentals of Rayleigh scattering and spectral light filtering is crucial to the design of an FRS experiment, we begin by briefly reviewing these areas. Subsequently, we conduct a survey of experimental design strategies, assumptions, and data reduction methods used to measure different gas properties using FRS. We conclude the review with a short discussion on quantification of experimental uncertainty and future trends in FRS.

filtered Rayleigh scattering↗

NASA NTRS2023

Single-Scattering Properties of Ellipsoidal Dust Aerosols Constrained By Measured Dust Shape Distributions

Most global aerosol models approximate dust as spherical particles, whereas most remote sensing retrieval algorithms approximate dust as spheroidal particles with a shape distribution that conflicts with measurements. These inconsistent and inaccurate shape assumptions generate biases in dust single-scattering properties. Here, we obtain dust single-scattering properties by approximating dust as triaxial ellipsoidal particles with observationally constrained shape distributions. We find that, relative to the ellipsoidal dust optics obtained here, the spherical dust optics used in most aerosol models underestimate dust single-scattering albedo, mass extinction efficiency, and asymmetry parameter for almost all dust sizes in both the shortwave and longwave spectra. We further find that the ellipsoidal dust optics are in substantially better agreement with observations of the scattering matrix and linear depolarization ratio than the spheroidal dust optics used in most retrieval algorithms. However, relative to observations, the ellipsoidal dust optics overestimate the lidar ratio by underestimating the backscattering intensity by a factor of ∼2. This occurs largely because the computational method used to simulate ellipsoidal dust optics (i.e., the improved geometric optics method) underestimates the backscattering intensity by a factor of ∼2 relative to other computational methods (e.g., the physical geometric optics method). We conclude that the ellipsoidal dust optics with observationally constrained shape distributions can help improve global aerosol models and possibly remote sensing retrieval algorithms that do not use the backscattering signal.

Dust↗

DOE OSTI2024

Embedding Neural Thermal Scattering (NeTS) Modules in SERPENT for Higher Fidelity Advanced Reactor Analysis

When a neutron born in fission thermalizes to the order of $k$ $B$ $T$, it’s de-Broglie wavelength and energy approach the order of inter-atomic spacing and elementary lattice oscillations, respectively. $S$($a,β,t$) or the scattering law, uuantify these temperature-dependent crystallographic contributions to total cross section (or reaction rate). In a Monte Carlo analysis, cumulative distribution functions (CDFs) of $S$($a,β,t$) are loaded to memory from “A Compact ENDF” (ACE) files for stochastically selecting thermal scattered neutron trajectories. In this work, novel neural thermal scattering (NeTS) modules for $S$($a,β,t$) CDFs are designed, trained, serialized and embedded within SERPENT using Python’s limited C-API for on-the-fly deployment of crystalline graphite $S$($a,β,t$) sampling. Torchscript tracing and Numba just-in-time (JIT) compilation streamline neural inference on NVIDIA GPUs with CUDA libraries. Demonstrations of bare sphere thermalization of fast and thermal sources show excellent agreement between embedded NeTS in SERPENT and MCNP. With an explicit model of the reactor, NeTS can predict on-the-fly changes in TREAT neutron spectra as a function of local temperature, which can serve to improve transient and accident predictions in a multiphysics analysis framework. This framework can be further extended to account on-the-fly for changes in local graphitic microstructure to scattering cross sections, and outlines a novel coupling of modern machine learning with state-of-the-art reactor physics methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Evaluation of Thermal Scattering Law for U 3 Si 2 Using Temperature-Dependent Phonon Density of States

The thermal scattering law for uranium silicide, a candidate material for high-density nuclear fuel, was evaluated from the temperature-dependent phonon density of states obtained using the quasi-harmonic approximation. For uranium silicide model systems of various volumes near the equilibrium volume, Hellmann-Feynman forces were calculated by performing ab initio lattice dynamics simulations based on density functional theory. Subsequently, the quasi-harmonic approximation was applied by interpolating the results of the harmonic approximation for each volume system. As a sensitivity test, the phonon density of states was calculated for the structures with temperature-dependent volumes at 298 K and 1000 K, obtained by the quasi-harmonic approximation, and the corresponding thermal neutron scattering cross section was evaluated. The temperature-dependent volume and heat capacity of uranium silicide obtained by the quasi-harmonic approximation showed reasonable agreement with experimental data while lattice thermal expansion showed deviation from experimental observations. Thermal scattering cross sections evaluated from 0 K and temperature-dependent phonon density of states exhibited differences of up to 4.1% at 1000 K. This study examines the impact of temperature on the thermal scattering law, employing ab initio lattice dynamics simulations through the quasi-harmonic approximation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Light scattering by V 4 O 7 film across the metal–insulator transition

The experimental study of the angle-resolved hemispherical light scattering by V 4 O 7 film within a broad temperature range across metal–insulator transition reveals complex structural reorganization of the film deposited on the c-cut sapphire crystal. The bidirectional scattering distribution function and the surface autocorrelation function were obtained from scattering data to visualize statistics of the spatially resolved contributions of optical inhomogeneities in normal and lateral directions to the surface. The measurements reveal an anisotropic surface roughness distribution due to the twinned domain structure, with significant anisotropy changes across the phase transition. The V 4 O 7 film deposited on sapphire leads to a polydomain structure, minimizing elastic strain energy with distinct multiscale distributions of surface domains. Near T c , the material shows the lowest roughness but the highest lateral disorder of the surface.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Structural characterization of high-protein system through ultra-small and small-angle X-ray scattering

High-protein systems exhibit a hierarchical structure consisting of interconnected multiscale length assemblies. Recent investigations are directed toward identifying these structural units under various processing and environmental conditions to establish structure–function correlations. Ultra-small and small-angle X-ray scattering (USAXS/SAXS) has become a crucial tool for characterizing the structures of proteins and their clusters/aggregates, ranging from nanometers to micrometers, with minimal disruption to their original state. Here, this review first describes the facilities and principles of X-ray scattering, followed by discussions on the analysis of scattering data, including the interpretation of fitting models. It then delves into the main applications of USAXS/SAXS in plant and dairy protein-rich systems. Future strategies to enhance the utilization of scattering techniques for elucidating the structure of high-protein systems are also included.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2026

Native Architecture of Wheat Straw Cell Walls: A Unified Model from X-ray Scattering and Solid-State NMR

Plant secondary cell walls constitute the dominant reservoir of renewable biomass, comprising tightly packed cellulose, hemicellulose, and lignin at the nanoscale. Recent advances in solid-state NMR spectroscopy and the availability of small-angle X-ray scattering for biomass characterization have led to an accumulation of experimental data on cell wall organization, yet no explicit structure model has simultaneously satisfied both Xray and NMR observations. Using wheat straw as a model system, we propose a structural framework consistent with current knowledge of cellulose biosynthesis, X-ray scattering data, and one- and two-dimensional 13 C solid-state NMR spectra. In this model, 18-chain elementary fibrils align in parallel and populate the cross-section at random. Arabinose-substituted xylan shows no conformational dependence for cellulose-binding in wheat, and only a minor fraction of 2-fold xylan appears in close proximity to cellulose, unlike in Arabidopsis, where xylan is more tightly attached to the cellulose surface. While NMR data cannot unambiguously resolve the internal arrangement of the 18 glucan chains, X-ray scattering profiles uniquely constrain the fibril size and exclude the possibility of tight bundling in the intact walls. The specific interaction between the matrix polymers and the cellulose elementary fibrils must be reconsidered in light of the small interfibril spaces, which bring the matrix components into spatial proximity with cellulose even in the absence of attractive interactions. These findings provide fundamental molecular-level insight into cellulose fibril architecture and matrix−polymer interactions, resolving longstanding discrepancies between spectroscopic and scattering data and advancing our understanding of biopolymer assembly into structurally and functionally versatile lignocellulosic biomaterials.

Carbohydrates↗

DOE OSTI2025

Machine learning-assisted profiling of a kinked ladder polymer structure using scattering

Ladder polymers consisting of fused rings in the backbone have very limited conformational freedom, which results in very different properties from traditional linear polymers. However, accurately determining their size and chain conformations from solution scattering remains a challenge. Their chain conformations of kinked ladder polymers are largely governed by the structures and relative orientations or configurations of the repeat units, unlike conventional polymer chains whose bending angles between repeat units follow a unimodal Gaussian distribution. Meanwhile, traditional scattering models for polymer chains do not account for these unique structural features. This work introduces a novel approach that integrates machine learning with Monte Carlo simulations to construct a model that can describe the geometry of a type of kinked CANAL ladder polymers. We first develop a Monte Carlo simulation model for sampling the configuration space of CANAL ladder polymers, where each repeat unit is modeled as a biaxial segment. Then, we establish a machine learning-assisted scattering analysis framework based on Gaussian Process Regression. Finally, we conduct small-angle neutron scattering experiments on a CANAL ladder polymer solution to apply our approach. Our method uncovers structural features of such ladder polymers that conventional methods fail to capture.

Ding, Lijie [Oak Ridge National Laboratory (ORNL),↗

DOE OSTI2026

In situ electric field X-ray total scattering reveals composition-dependent electromechanical strain mechanisms in (1 − x )BiFe 2/8 Ti 3/8 Mg 3/8 O 3 – x PbTiO 3 ceramics

Ferroelectric materials find many applications in energy and aerospace industries. A major challenge for ferroelectric materials is maintaining their properties at elevated temperatures. The (1 − x )BiFe 2/8 Ti 3/8 Mg 3/8 O 3 – x PbTiO 3 (BFTM–xPT) ferroelectric solid solution is a promising candidate for high-temperature applications as it has a high piezoelectric response while also maintaining its ferroelectric phase until a high Curie temperature (T C ) of 650 °C. In this work, we investigate the piezoelectric mechanism in BFTM–xPT, a novel high-T C ferroelectric ceramic. To elucidate the origin of its enhanced piezoelectric performance, relative to other piezoceramics of similar T C , in situ electric field X-ray total scattering experiments were performed. Total scattering combines Bragg scattering (diffraction) and diffuse scattering (pair distribution function), providing insight on various length scales. With information spanning different length scales, extrinsic contributions (i.e., domain wall motion and interphase boundary motion) can be separated from intrinsic contributions (i.e., piezoelectric lattice strain). We show that, for compositions within the morphotropic phase boundary (MPB, x = 0.325), the piezoelectric response is dominated by intrinsic piezoelectric lattice strain, whereas outside the MPB (x = 0.375) the major component of the piezoelectric response is from extrinsic mechanisms including an electric-field-induced phase transition and tetragonal domain wall motion. This article reveals that the origin of piezoelectric response in BFTM–xPT is composition-dependent and shows that high-performance materials may also be located outside the MPB. These findings can help guide material design to optimize properties for specific applications.

Richtik, Brooke N. [University of Calgary, AB (Can↗

DOE OSTI2024

Millimeter-wave high-wavenumber scattering diagnostic developments on EAST and NSTX-U

A pioneering 4-channel, high-k poloidal, millimeter-wave collective scattering system has been successfully developed for the Experimental Advanced Superconducting Tokamak (EAST). Engineered to explore high-k electron density fluctuations, this innovative system deploys a 270 GHz mm-wave probe beam launched from Port K and directed toward Port P (both ports lie on the midplane and are 110° part), where large aperture optics capture radiation across four simultaneous scattering angles. Tailored to measure density fluctuations with a poloidal wavenumber of up to 20 cm -1 , this high-k scattering system underwent rigorous laboratory testing in 2023, and the installation is currently being carried out on EAST. Its primary purpose lies in scrutinizing ion and electron-scale instabilities, such as the electron temperature gradient (ETG) mode, by furnishing measurements of the k θ (poloidal wavenumber) spectrum. This advancement significantly bolsters the capacity to probe high-k electron density fluctuations within the framework of EAST. Finally, beam tracing and data interpretation modules developed for both EAST and NSTX-U high-k scattering diagnostics are described.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Geometric optics model of Thomson scattering enhanced by parametric coupling

We formulate a theory of Thomson scattering (TS) from inhomogeneous plasmas using a ray-tracing approach. The scattered radiation is described within the eikonal approximation, including convective gain arising from scattering instabilities driven by the TS probe laser. In the limit of a weak probe and vanishing gain, the theory recovers the standard TS cross section and scattered power due to volumetric particle noise. The ray-tracing formalism is implemented in a TS fitting framework, enabling accurate analysis of inhomogeneous plasmas whose background profiles can be provided by large-scale hydrodynamic simulations or experimental diagnostics. Here, several examples of synthetic TS spectra are presented, and further extensions of the theory are discussed.

Carleton, D. E. [University of Alberta, Edmonton, ↗

DOE OSTI2026

A novel compact end-loaded piston cylinder cell for high pressure neutron scattering up to 5 GPa

Here, a miniature sized end-loaded piston cylinder cell with radial side windows for neutron scattering experiments is described. The principle of the bicone-shaped cylinders used was first presented by McWhan in 1974. The present cell is of compact portable design yet significantly enlarges the scattering angles. Its small size allows neutron scattering experiments at low temperatures. The bicone-shaped cylinders are made from various ceramics or a highly neutron-transmissive Ni-free Cr–Mo–V steel. Successful neutron scattering experiments up to 5 GPa have been demonstrated on the CORELLI single-crystal diffractometer and the VISION vibrational spectrometer of the Spallation Neutron Source at the Oak Ridge National Laboratory.

Neutrons↗

DOE OSTI2024

Ultrafast x-ray scattering and electronic coherence at avoided crossings: complete isotropic signals

Abstract Nonadiabatic transitions at conical intersections and avoided crossings play a pivotal role in shaping the outcomes of photochemical reactions. Using the photodissociation of LiF as a model, this theoretical study explores the application of gas phase nonresonant ultrafast x-ray scattering to map nonadiabatic transitions at an avoided crossing, utilizing the part of the scattering signal that probes electronic coherence directly. The presented scattering signals are rotationally averaged and calculated from two- rather than one-electron (transition) densities, which inherently accounts for all possible electronic transitions driven by the x-ray photon. This approach provides quantitative predictions of the experimental signals, thereby facilitating future experimental endeavors to observe nonadiabatic effects and coherent electron dynamics with ultrafast x-ray scattering.

Optics↗

DOE OSTI2024

Characterization of a SiPM-based monolithic neutron scatter camera using dark counts

The Single Volume Scatter Camera (SVSC) Collaboration aims to develop portable neutron imaging systems for a variety of applications in nuclear non-proliferation. Conventional double-scatter neutron imagers are composed of several separate detector volumes organized in at least two planes. A neutron must scatter in two of these detector volumes for its initial trajectory to be reconstructed. As such, these systems typically have a large footprint and poor geometric efficiency. We report on the design and characterization of a prototype monolithic neutron scatter camera that is intended to significantly improve upon the geometrical shortcomings of conventional neutron cameras. The detector consists of a 50 mm×56 mm× 60 mm monolithic block of EJ-204 plastic scintillator instrumented on two faces with arrays of 64 Hamamatsu S13360-6075PE silicon photomultipliers (SiPMs). The electronic crosstalk is limited to < 5% between adjacent channels and < 0.1% between all other channel pairs. SiPMs introduce a significantly elevated dark count rate over PMTs, as well as correlated noise from after-pulsing and optical crosstalk. In this article, we characterize the dark count rate and optical crosstalk and present a modified event reconstruction likelihood function that accounts for them. We find that the average dark count rate per SiPM is 4.3 MHz with a standard deviation of 1.5 MHz among devices. The analysis method we employ to measure internal optical crosstalk also naturally yields the mean and width of the single-electron pulse height. Here, we calculate separate contributions to the width of the single-electron pulse-height from electronic noise and avalanche fluctuations. We demonstrate a timing resolution for a single-photon pulse to be (128 ± 4) ps. Finally, coincidence analysis is employed to measure external (pixel-to-pixel) optical crosstalk. We present a map of the average external crosstalk probability between 2×4 groups of SiPMs, as well as the in-situ timing characteristics extracted from the coincidence analysis. Further work is needed to characterize the performance of the camera at reconstructing single- and double-site interactions, as well as image reconstruction.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Time-Domain Extreme-Ultraviolet Diffuse Scattering Spectroscopy of Nanoscale Surface Phonons

Here, we report the observation of dynamic fringe patterns in the diffuse scattering of extreme ultraviolet light from surfaces, following femtosecond optical excitation. At each point on the detector, the diffuse scattering intensity exhibits oscillations at well-defined frequencies that correspond to surface phonons with wave vectors determined by the scattering geometry, indicating that the optical excitation generates coherent surface phonons propagating in all directions and spanning a wavelength range from 60 to 300 nm. This phenomenon is observed on a variety of samples, including single-layer and multilayer metal films, as well as bulk semiconductors. The measured surface phonon dispersions show good agreement with theoretical calculations. By comparing signal amplitudes from samples with different surface morphologies, we find that the excitation mechanism is linked to the natural surface roughness of the samples. However, the signal is still detectable on extremely smooth surfaces with subnanometer roughness. Our findings demonstrate a simple and effective method for optically exciting coherent surface phonons with nanoscale wavelengths on a wide range of solid samples and establish a foundation for surface phonon spectroscopy in a wave vector range well beyond the limit of conventional surface Brillouin scattering.

Capotondi, F. [Elettra-Sincrotrone Trieste (Italy)↗

DOE OSTI2025

𝜌-meson nucleon scattering length from CLAS threshold photoproduction measurements

Here, extending our study of the vector meson-nucleon scattering lengths, we are focusing on the 𝜌-meson case using recent CLAS threshold data for the reaction 𝛾⁢𝑝 →𝜌⁢𝑝 within the meson–baryon reaction model. The total 𝜎 𝑡 ⁡(𝛾⁢𝑝 →𝜌⁢𝑝) and 𝜎 𝑡⁡ (𝛾⁢𝑝 →𝜔⁢𝑝) cross sections are close to the momentum of the vector meson in CM 𝑞 =0.2 GeV/c. Then the 𝜌⁢𝑝 photoproduction cross section grows rapidly. Our result for 𝜌⁢𝑁 scattering length is a factor of 4 smaller than the size of the hadron and the phenomenological determination of the 𝜔 nucleon scattering length using threshold photoproduction cross sections. The observed difference between 𝜌⁢𝑁 and 𝜔⁢𝑁 scattering lengths is of interest for further understanding within hadron structure theory.

Phenomenology↗

DOE OSTI2025

Effect of Rabi dynamics in resonant x-ray scattering of intense attosecond pulses

Here, we theoretically study the effects of Rabi oscillations on resonant x-ray scattering in Ne + using intense attosecond and few-femtosecond pulses. The total photon yield strongly depends on the pulse area and has an upper bound at high intensities. Resonant scattering yields with attosecond pulses can be an order of magnitude higher than those far from resonances. Interference between resonance fluorescence and elastic scattering channels depends on the pulse area and initial state. Our results suggest that resonant x-ray scattering can be exploited for high-resolution, site-specific imaging.

Venkatesh, Akilesh [Argonne National Laboratory (A↗