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At least 757 records · Page 42

Validation of Thermal Scattering Laws for Light Water at Elevated Temperatures with Diffusion Experiments

Light water is the most important neutron moderator in many reactor applications. Thermal neutron scattering kernels for H bound in H 2 O are represented by ENDF-format thermal scattering laws (TSLs) evaluated at discrete temperatures T . Nuclear data evaluations are conventionally validated utilizing a combination of critical benchmarks and experimental cross section data. Existing public critical benchmarks may be inadequate for testing water TSLs over the full range of T of interest in reactor applications, and experimental thermal scattering cross section data for water is sparse at elevated T . In this work, MC21 is used to simulate the decay of the equilibrium thermal neutron flux in light-water spheres of several radii. The fundamental-mode time eigenvalue $\mathcal{a}$ is calculated at 22 °C and 227 °C (at saturation pressure) for each sphere using three different H-H 2 O TSLs. Fitting $\mathcal{a}$ to a polynomial function of geometric buckling allows calculation of the thermal neutron diffusion length L . Extrapolation lengths are treated as a function of the transport mean free path and geometry. Experimental L data from 25 publications at 49 temperatures (from 10 °C to 295 °C), computed by several different time-dependent and space-dependent decay methods, is used to develop an empirical fit of L vs. T . The MC21-calculated L for the TSLs tested are within ±1% of the predicted values at 22 °C and 227 °C. This validation approach, which may be repeated at arbitrary T , constitutes an integral benchmark specific to and characterizing the detailed physics of the thermal scattering kernel applied.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Summary of Data from the Fifth AIAA CFD Drag Prediction Workshop

Results from the Fifth AIAA CFD Drag Prediction Workshop (DPW-V) are presented. As with past workshops, numerical calculations are performed using industry-relevant geometry, methodology, and test cases. This workshop focused on force/moment predictions for the NASA Common Research Model wing-body configuration, including a grid refinement study and an optional buffet study. The grid refinement study used a common grid sequence derived from a multiblock topology structured grid. Six levels of refinement were created resulting in grids ranging from 0.64x10(exp 6) to 138x10(exp 6) hexahedra - a much larger range than is typically seen. The grids were then transformed into structured overset and hexahedral, prismatic, tetrahedral, and hybrid unstructured formats all using the same basic cloud of points. This unique collection of grids was designed to isolate the effects of grid type and solution algorithm by using identical point distributions. This study showed reduced scatter and standard deviation from previous workshops. The second test case studied buffet onset at M=0.85 using the Medium grid (5.1x106 nodes) from the above described sequence. The prescribed alpha sweep used finely spaced intervals through the zone where wing separation was expected to begin. Some solutions exhibited a large side of body separation bubble that was not observed in the wind tunnel results. An optional third case used three sets of geometry, grids, and conditions from the Turbulence Model Resource website prepared by the Turbulence Model Benchmarking Working Group. These simple cases were intended to help identify potential differences in turbulence model implementation. Although a few outliers and issues affecting consistency were identified, the majority of participants produced consistent results.

Levy, David W.↗

Deciphering supramolecular and polymer-like behavior in metallogels: real-time insights into temperature-modulated gelation and rapid self-assembly dynamics

Bis(pyridyl) urea-based gelators, namely L2 and its isomeric mixture ( L1 + L2 ), are known to self-assemble into 1D architectures capable of inducing supramolecular gelation. Coordination with metal ions such as Ag( I ), Cu( II ), and Fe( III ) introduces structural reinforcement, enabling the formation of distinct 3D networks governed by metal-specific coordination geometries. Here, we present a comprehensive investigation into the temperature-responsive behavior (20–60 °C) of L2 and L1 + L2 , both in the absence and presence of Ag( I ), Dy( III ), Fe( III ), Cu( II ), and Ho( III ), using real-time small-angle neutron scattering (SANS). To probe long-term structural evolution/kinetics of self-assembly, real-time small-angle X-ray scattering (SAXS) was employed on L2 + Ag gels, complemented by differential scanning calorimetry (DSC) to evaluate thermal transitions. Our results reveal strikingly divergent gelation behaviors: L2 forms a highly rigid, covalent polymer-like network, while L1 + L2 exhibits remarkable thermal adaptability. Upon metal coordination, the assemblies exhibit pronounced crystallinity and exceptional thermal stability, as evidenced by persistent Bragg reflections and invariant d-spacings. Intriguingly, L2 : Fe (2 : 1) and L1 : L2 : Fe (0.5 : 0.5 : 1) in acetonitrile-d 3 (ACN-d 3 ) deviate from this trend, forming thermally labile amorphous gels. These systems show a complete loss of crystalline order, reduced Porod exponents—indicative of collapsed or branched fiber morphologies—and prominent melting and glass transition events in DSC. Fitting SANS and SAXS data to the correlation length model unveiled insightful nanostructural features. While most systems displayed minimal temperature-induced variation in mesh size or surface morphology, L2 : Ag in dimethyl sulfoxide-d 6 (DMSO-d 6 )/D 2 O and L2 : Fe (1 : 1) in ACN-d 3 exhibited a rare combination of thermally stable correlation lengths and increasing high- q exponents—strongly suggesting progressive fiber densification or surface smoothing within a robust gel framework. These findings highlight the tunability and structural resilience of supramolecular gels through precise control of ligand architecture, metal coordination, and temperature, offering valuable design principles for functional soft materials.

Pajoubpong, Jinnipha [Univ. of Cincinnati, OH (Uni↗

On ultrasonic factors and fracture toughness

Recent experimental and theoretical studies on ultrasonics have shown that the scattering of elastic waves by material defects yields data which characterize crack properties, such as size and orientation, and also the mechanical properties of the given material. In the present study, elastodynamic fields due to the presence of a pair of inhomogeneities in a material of plate geometry are investigated by the method of equivalent inclusions. The stress amplitude change of the plates during the passage of plane time-harmonic waves is found, and the relation between fracture toughness and ultrasonic factors is determined. The approach used does not assume the existence of a sharp crack in the material.

Fu, L. S.↗

Multiple Stokes wavelength generation in H2, D2, and CH4 for lidar aerosol measurements

Experimental results are reported of multiple Stokes generation of a frequency-doubled Nd:YAG laser in H2, D2, and CH4 in a focusing geometry. The energies at four Stokes orders were measured as functions of pump energy and gas pressure. The characteristics of the Stokes radiation generated in these gases are compared for optical production of multiple wavelengths. The competition between Raman components is analyzed in terms of cascade Raman scattering and four-wave mixing. The results indicate the possibility of using these generation processes for atmospheric aerosol measurements by means of multiwavelength lidar systems. Also, this study distinguishes between the gases, as regards the tendency to produce several wavelengths (H2,D2) versus the preference to produce mainly first Stokes radiation (CH4).

Chu, Zhiping↗

Free volume model for molecular weights of polymers

A free volume model has been developed for determining molecular weights of linear polymers. It is based on the size of free volume cells in two geometries of poly(arylene ether ketone)s. Free volume cell sizes in test samples were measured using positron lifetime spectroscopy. The molecular weights computed from free volume cell sizes are in good agreement with the values measured by gel permeation chromatography, with a low angle laser light scattering photometer as the detector. The model has been further tested on two atactic polystyrene samples, where it predicted the ratio of their molecular weights with reasonable accuracy.

Singh, J. J.↗

Polarimetric Retrievals of Surface and Cirrus Clouds Properties in the Region Affected by the Deepwater Horizon Oil Spill

In 2010, the Goddard Institute for Space Studies (GISS) Research Scanning Polarimeter (RSP) performed several aerial surveys over the region affected by the oil spill caused by the explosion of the Deepwater Horizon offshore platform. The instrument was deployed on the NASA Langley B200 aircraft together with the High Spectral Resolution Lidar (HSRL), which provides information on the distribution of the aerosol layers beneath the aircraft, including an accurate estimate of aerosol optical depth. This work illustrates the merits of polarization measurements in detecting variations of ocean surface properties linked to the presence of an oil slick. In particular, we make use of the degree of linear polarization in the glint region, which is severely affected by variations in the refractive index but insensitive to the waviness of the water surface. Alterations in the surface optical properties are therefore expected to directly affect the polarization response of the RSP channel at 2264 nm, where both molecular and aerosol scattering are negligible and virtually all of the observed signal is generated via Fresnel reflection at the surface. The glint profile at this wavelength is fitted with a model which can optimally estimate refractive index, wind speed and direction, together with aircraft attitude variations affecting the viewing geometry. The retrieved refractive index markedly increases over oil-contaminated waters, while the apparent wind speed is significantly lower than in adjacent uncontaminated areas, suggesting that the slick dampens high-frequency components of the ocean wave spectrum. The constraint on surface reflectance provided by the short-wave infrared channels is a cornerstone of established procedures to retrieve atmospheric aerosol microphysical parameters based on the inversion of the RSP multispectral measurements. This retrieval, which benefits from the ancillary information provided by the HSRL, was in this specific case hampered by prohibitive variability in atmospheric conditions (very inhomogeneous aerosol distribution and cloud cover). Although the results presented for the surface are essentially unaffected, we discuss the results obtained by typing algorithms in sorting the complex mix of aerosol types, and show evidence of oriented ice in cirrus clouds present in the area. In this context, polarization measurements at 1880 nm were used to infer ice habit and cirrus optical depth, which was found in the subvisual/threshold-visible regime, confirming the utility of the aforementioned RSP channel for the remote sensing of even thin cold clouds.

Polarization↗

Computational investigation of hydrogen-induced phonon changes in carbon fiber

Optical vibrational spectroscopy has shown promise as a noninvasive means of monitoring the mechanical properties of carbon fiber (CF), which is increasingly used for industrial and consumer purposes. However, interpretation of optical vibrational spectra for solid materials is inferential, particularly when defects are present. Because inelastic neutron scattering (INS) spectroscopy is not subject to selection rules, the full vibrational spectra can be measured. And, identifying correlations between INS features and tensile properties can assist in the interpretation of spectra from more commonly used optical vibrational spectroscopic techniques, such as Raman and infrared (IR) spectroscopy. Recent INS experiments on high-performance commercial carbon fibers showed features near 900 and 1100 cm –1 in addition to a broad feature near 3000 cm –1 that increased in intensity with decreasing tensile strength. These features were assigned to hydrogen defects. Here, we use density functional theory to simulate the INS spectra of several hydrogen defect geometries in graphite as a model for carbon fiber structure units, confirming the experimental assignment of these peaks to hydrogen modes and providing insights into the structure and lattice dynamics of the defects.

36 MATERIALS SCIENCE↗

Internal Microstructure Dictates Interactions of Polymer-grafted Nanoparticles in Solution

Understanding the effects of polymer brush architecture on particle interactions in solution is requisite to enable the development of functional materials based on self-assembled polymer-grafted nanoparticles (GNPs). Static and dynamic light scattering of polystyrene-grafted silica particle solutions in toluene reveals that the pair interaction potential, inferred from the second virial coefficient, A 2 , is strongly affected by the grafting density, σ, and degree of polymerization, N, of tethered chains. In the limit of intermediate σ (~0.3 to 0.6 nm -2 ) and high N, A 2 is positive and increases with N. This confirms the good solvent conditions and can be qualitatively rationalized on the basis of a pair interaction potential derived for grafted (brush) particles. In contrast, for high σ > 0.6 nm -2 and low N, A 2 displays an unexpected reversal to negative values, thus indicating poor solvent conditions. These findings are rationalized by means of a simple analysis based on a coarse-grained brush potential, which balances the attractive core-core interactions and the excluded volume interactions imparted by the polymer grafts. The results suggest that the steric crowding of polymer ligands in dense GNP systems may fundamentally alter the interactions between brush particles in solution and highlight the crucial role of architecture (internal microstructure) on the behavior of hybrid materials. The effect of grafting density also illustrates the opportunity to tailor the physical properties of hybrid materials by altering geometry (or architecture) rather than a variation of the chemical composition.

36 MATERIALS SCIENCE↗

Parameterizing Spectral Surface Reflectance Relationships for the Dark Target Aerosol Algorithm Applied to A Geostationary Imager

Originally developed for the Moderate Resolution Imaging Spectroradiometer (MODIS) in polar, sun-synchronous low-earth orbit (LEO), the Dark Target (DT) aerosol retrieval algorithm relies on the assumption of a Surface Reflectance Parameterization (SRP) over land surfaces. Specifically for vegetated and dark-soiled surfaces, values of surface reflectance in blue and red visible-wavelength bands are assumed to be nearly linearly related to each other and to the value in a shortwave infrared (SWIR) wavelength band. This SRP also includes dependencies on scattering angle and a normalized difference vegetation index computed from two SWIR bands (NDVISWIR). As the DT retrieval algorithm is being ported to new sensors to continue and expand the aerosol data record, we assess whether the MODIS-assumed SRP can be used for these sensors. Here, we specifically assess SRP for the Advanced Baseline Imager (ABI) aboard, the Geostationary Operational Environmental Satellite (GOES)-16/East (ABIE). First, we find that using MODIS-based SRP leads to higher biases and artificial diurnal signatures in aerosol optical depth (AOD)retrievals from ABIE. The primary reason appears to be that geostationary orbit (GEO) encounters an entirely different set of observation geometry than does LEO, primarily with regards to solar angles coupled with fixed view angles. Therefore, we have developed a new SRP for GEO that draws the angular shape of the surface bidirectional reflectance. We also introduce modifications to the parametrization of both red-SWIR and blue-red spectral relationships to include additional information.The revised Red-SWIR SRP includes solar zenith angle, NDVISWIR, and land-type percentage from an ancillary database. The blue-red SRP adds dependencies on the scattering angle and NDVISWIR. The new SRPs improve the AOD retrieval of ABIE in terms of overall less bias and mitigation of the overestimation around local noon. The average bias of DT AOD compared to AERONET AOD shows a reduction from 0.08 to 0.03, while the bias of local solar noon decreases from 0.12 to 0.03.The agreement between DT and AERONET AOD is established through regression slope of 1.06 and y-intercept of 0.01with correlation coefficient is0.74. By using the new SRP, the percentage of data falling within the expected error range (±0.05 + 15%) is notably risen from 54% to 78%.

Mijin Kim↗

Multiparticle Factorization and the Rigidity of String Theory

Is string theory uniquely determined by self-consistency? Causality and unitarity seemingly permit a multitude of putative deformations, at least at the level of two-to-two scattering. Motivated by this question, we initiate a systematic exploration of the constraints on scattering from higher-point factorization, which imposes extraordinarily restrictive sum rules on the residues and spectra defined by a given amplitude. These bounds handily exclude several proposed deformations of the string: the simplest “bespoke” amplitudes with tunable masses and a family of modified string integrands from “binary geometry.” While the string itself passes all tests, our formalism directly extracts the three-point amplitudes for the low-lying string modes without the aid of worldsheet vertex operators. Published by the American Physical Society 2024

Physics↗

Time-resolved X-ray Spectroscopy from the Atomic Orbital Ground State Up

X-ray spectroscopy has been a key method to determine ground and excited state properties of quantum materials with atomic specificity. Now, new x-ray facilities are opening the door to the study of pump-probe x-ray spectroscopy - specifically time-resolved x-ray absorption (trXAS) and time-resolved resonant inelastic x-ray scattering (trRIXS). In this paper we will present simulations of each of these spectroscopies using a time-domain full atomic multiplet, charge transfer Hamiltonian, adapted to study the properties of a generalized cluster model including a central transition metal ion caged by ligand atoms in a planar geometry. The numerically evaluated trXAS and trRIXS cross-sections for representative electron configurations 3d9 and 3d8 demonstrate the insights that can be obtained from charge transfer pumping, and how this nonequilibrium process affects ground and excited state properties. The straightforward characterization of the excitations in these systems, based on our analysis of the simulations, can serve as a benchmark for future experiments, as access to these time-resolved spectroscopic techniques becomes more widely available.

Jost, Daniel↗

AVIRIS Inflight Calibration Experiments, Analysis, and Results in 2000

The NASA Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) measures spectra from 370 to 2500 nm with nominally 10-nm sampling and resolution. The spectra are acquired as images with an 11 km width and up to 800 km length from the ER-2 platform or 2.1 km width and 160 km length from the Twin Otter platform. AVIRIS measurements are used for a range of Earth science research and application objectives. The molecular absorption and particle scattering properties expressed in the calibrated AVIRIS measurements are used. For both science research and application objectives, calibration of the AVIRIS spectra is required to produce useful results. Each year prior to the flight season AVIRIS is calibrated in the laboratory. However, the temperature, pressure, vibration, and observational geometry, as well as mechanical, electrical, and operational interfaces of the laboratory are different than the environment on board the airborne platform. To validate the calibration of AVIRIS in the flight environment, an inflight calibration experiment is orchestrated at the beginning of each flight season. In most years additional inflight calibration experiments occur towards the middle and end of the flight season as well. For an inflight calibration experiment, AVIRIS acquires airborne data over a designated calibration target. In concert with the airborne data acquisition, surface and atmospheric properties at the calibration target are measured in situ. These in situ measurements are used to constrain a radiative transfer code and predict the radiance incident at the AVIRIS instrument from the calibration target. This prediction is compared with the AVIRIS-measured radiance to validate the calibration of AVIRIS in the flight environment. Additional properties (such as the AVIRIS inflight measurement precision) are determined as well. This paper presents measurements, analyses, and results from the inflight calibration experiment held on the dry lake bed surface of Rogers Dry Lake, California, on June 5, 2000.

Green, Robert O.↗

Methods to Calculate Electronic Excited-State Dynamics for Molecules on Large Metal Clusters with Many States: Ensuring Fast Overlap Calculations and a Robust Choice of Phase

Here, we present an efficient set of methods for propagating excited-state dynamics involving a large number of configuration interaction singles (CIS) or Tamm-Dancoff approximation (TDA) single-reference excited states. Specifically, (i) following Head-Gordon et al., we implement an exact evaluation of the overlap of singly-excited CIS/TDA electronic states at different nuclear geometries using a biorthogonal basis and (ii) we employ a unified protocol for choosing the correct phase for each adiabat at each geometry. For many-electron systems, the combination of these techniques significantly reduces the computational cost of integrating the electronic Schrodinger equation and imposes minimal overhead on top of the underlying electronic structure calculation. As a demonstration, we calculate the electronic excited-state dynamics for a hydrogen molecule scattering off a silver metal cluster, focusing on high-lying excited states, where many electrons can be excited collectively and crossings are plentiful. Interestingly, we find that the high-lying, plasmon-like collective excitation spectrum changes with nuclear dynamics, highlighting the need to simulate non-adiabatic nuclear dynamics and plasmonic excitations simultaneously. In the future, the combination of methods presented here should help theorists build a mechanistic understanding of plasmon-assisted charge transfer and excitation energy relaxation processes near a nanoparticle or metal surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solvent-Dependent Dynamics of Cellulose Nanocrystals in Process-Relevant Flow Fields

Flow-assisted alignment of anisotropic nanoparticles is a promising route for the bottom-up assembly of advanced materials with tunable properties. While aligning processes could be optimized by controlling factors such as solvent viscosity, flow deformation, and the structure of the particles themselves, it is necessary to understand the relationship between these factors and their effect on the final orientation. In this study, we investigated the flow of surface-charged cellulose nanocrystals (CNCs) with the shape of a rigid rod dispersed in water and propylene glycol (PG) in an isotropic tactoid state. In situ scanning small-angle X-ray scattering (SAXS) and rheo-optical flow-stop experiments were used to quantify the dynamics, orientation, and structure of the assigned system at the nanometer scale. The effects of both shear and extensional flow fields were revealed in a single experiment by using a flow-focusing channel geometry, which was used as a model flow for nanomaterial assembly. Due to the higher solvent viscosity, CNCs in PG showed much slower Brownian dynamics than CNCs in water and thus could be aligned at lower deformation rates. Moreover, CNCs in PG also formed a characteristic tactoid structure but with less ordering than CNCs in water owing to weaker electrostatic interactions. The results indicate that CNCs in water stay assembled in the mesoscale structure at moderate deformation rates but are broken up at higher flow rates, enhancing rotary diffusion and leading to lower overall alignment. Albeit being a study of cellulose nanoparticles, the fundamental interplay between imposed flow fields, Brownian motion, and electrostatic interactions likely apply to many other anisotropic colloidal systems.

36 MATERIALS SCIENCE↗

An experimental study of the temporal statistics of radio signals scattered by rain

A fixed-beam bistatic CW experiment designed to measure the temporal statistics of the volume reflectivity produced by hydrometeors at several selected altitudes, scattering angles, and at two frequencies (3.6 and 7.8 GHz) is described. Surface rain gauge data, local meteorological data, surveillance S-band radar, and great-circle path propagation measurements were also made to describe the general weather and propagation conditions and to distinguish precipitation scatter signals from those caused by ducting and other nonhydrometeor scatter mechanisms. The data analysis procedures were designed to provide an assessment of a one-year sample of data with a time resolution of one minute. The cumulative distributions of the bistatic signals for all of the rainy minutes during this period are presented for the several path geometries.

Hubbard, R. W.↗

LDEF atomic oxygen fluence update

The definition of LDEF atomic oxygen exposure involves theoretical prediction of fluxes, modeling of shielding and scattering effects, and comparison of predicted with observed atomic oxygen effects on LDEF experiments. Work is proceeding as follows: atomic oxygen fluxes and fluences have been recalculated using a more detailed orbit prediction program; a micro-environments program is being developed to account for the effects of experiment geometry on atomic oxygen flux; and chemical and physical measurements are being made on copper grounding straps to verify correspondence between predicted exposures and observed surface property variations. These three areas of work are reported briefly.

Bourassa, Roger J.↗

Anomalous scattering behavior of selected impact parabola features: Magellan cycle-to-cycle comparisons

Magellan observations indicate that many venusian impact craters have associated surfaces, typically lower in backscatter and emissivity than the surroundings, that extend up to hundreds of kilometers to the west of craters, in parabolic planforms. During Magellan's second mapping cycle, a number of these parabolic features were imaged for a second time, under a different viewing geometry. In some cases, the SAR backscatter appearance of portions of the parabolic features was quite different in the two datasets. We present a description and preliminary interpretations of the anomalous appearance of these features as observed during Magellan's first and second mapping cycles.

Plaut, Jeffrey J.↗