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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14

Computer program for thin-wire structures in a homogeneous conducting medium

A computer program is presented for thin-wire antennas and scatters in a homogeneous conducting medium. The anaylsis is performed in the real or complex frequency domain. The program handles insulated and bare wires with finite conductivity and lumped loads. The output data includes the current distribution, impedance, radiation efficiency, gain, absorption cross section, scattering cross section, echo area and the polarization scattering matrix. The program uses sinusoidal bases and Galerkin's method.

Richmond, J. H.↗

Non-Hermitian Quantum Mechanics Approach for Extracting and Emulating Continuum Physics Based on Bound-State-like Calculations

Here, this Letter introduces a unified emulation framework for studying continuum physics in finite quantum systems. Using a reduced basis method, we construct powerful emulators for the inhomogeneous Schrödinger equation that operate in a combined parameter space of complex energy (𝐸) and other inputs (𝜽). Within the space, the emulators simultaneously perform analytical continuation in 𝐸—extracting continuum physics from numerically simpler bound-state-like calculations—and interpolate this entire process across 𝜽. This yields a small, non-Hermitian system whose properties (e.g., resonances and scattering observables) can be rapidly predicted for any 𝜽. Crucially, the complex-𝐸 emulation provides a pathway to compute continuum observables for complex systems where advanced bound-state methods exist but direct continuum calculations are yet to be developed, while the 𝜽 emulation enables rapid parameter-space exploration and can be adapted to accelerate other existing continuum calculations. Demonstrations with two- and three-body systems highlight the method’s effectiveness and suggest its connection to (near-)optimal rational approximation. This Letter presents the key results, with further details reserved for a companion paper.

ab initio calculations↗

Combining Deep Learning and scatterControl for High-Throughput X-ray CT Based Non-Destructive Characterization of Large-Scale Casted Metallic Components

X-ray computed tomography (XCT) is essential for nondestructive evaluation and quality control of large-scale metal components. XCT imaging, however, faces significant challenges from metal artifacts, particularly those caused by Compton scattering, which degrade image quality and obscure critical details. Hardware-based solutions (e.g. scatterControl) offer advancements by intercepting scattered photons and reducing artifacts, but they can be time-consuming and require additional processing. Here, we propose modifying and leveraging a novel deep learning (DL) framework, Simurgh, to enhance and accelerate scatter correction in XCT. By combining scatterControl with DL-based artifact removal, we demonstrate significant reduction in scan time while producing high-quality reconstructions. Through extensive evaluation on industrial XCT data, we show that our methods reduce scan time by up to more than 10 x while preserving flaw detectability. Quantitative analysis across multiple segmentation techniques confirms that Simurgh-based reconstructions consistently outperform traditional Feldkamp-Davis-Kress, model-based iterative reconstruction, and commercial DL models in both pixel-level and task-specific evaluations, enabling scalable, high-throughput XCT workflows for characterization of large scale components in applications such as casting and metal additive manufacturing.

Complex metal parts↗

A science-driven approach to optimize the design for a biological small-angle neutron scattering instrument

Biological small-angle neutron scattering (SANS) instruments facilitate critical analysis of the structure and dynamics of complex biological systems. However, with the growth of experimental demands and the advances in optical systems design, a new neutron optical concept is necessary to overcome the limitations of current instruments. This work presents an approach to include experimental objectives ( i.e. the science to be supported by a specific neutron scattering instrument) in the optimization of the neutron optical concept. The approach for a proposed SANS instrument at the Second Target Station of the Spallation Neutron Source at Oak Ridge National Laboratory, USA, is presented here. Further, the instrument is simulated with the McStas software package. The optimization process is driven by an evolutionary algorithm using McStas output data, which are processed to calculate an objective function designed to quantify the expected performance of the simulated neutron optical configuration for the intended purpose. Each McStas simulation covers the complete instrument, from source to detector, including realistic sample scattering functions. This approach effectively navigates a high-dimensional parameter space that is otherwise intractable; it allows the design of next-generation SANS instruments to address specific scientific cases and has the potential to increase instrument performance compared with traditional design approaches.

47 OTHER INSTRUMENTATION↗

Scattering of high-velocity He atoms by C/CH3/4 and Si/CH3/4

Fast helium beams are employed to probe short-range potentials in tetramethylmethane and tetramethylsilane, and throw light on the relations between these more complex reactions and such reactions as He-CH4 and He-SiH4. Earlier work on scattering of helium and argon beams by polyatomic molecules (fluorinated methanes, sulfur hexafluoride, silane, germane) are at variance with these results, as neither of the above systems can be represented as a cluster of four CH4 molecules, Effective He-H potentials based on scattering data are identical for the two systems studied but are much larger than the corresponding CH4 potential. A model in which centers of force are located along the bonds rather than at the nuclei is suggested for further testing.

Amdur, I.↗

Accurate and rapid acoustic damage characterization in complex structures using sparse sensor networks and deep learning models

Damage diagnosis in critical components is essential for ensuring the safety and reliability of operations across industries, spanning manufacturing, aerospace, and energy. Traditional acoustic nondestructive testing methods primarily focus on detecting defects through the direct scattering of single-mode incident waves from the damage, which limit their applicability to simple structures and small inspection areas. Our earlier research demonstrated that machine learning algorithms combined with sparse sensor networks can identify critical defect signatures even from multiply scattered, multi-mode acoustic signals, indicating the potential for improved defect inspection in complex, real-world structures. In this work, we demonstrate the successful implementation of this approach in a fixed sensor configuration to rapidly and accurately detect simulated defects in a geometrically complex, real-world structure, a brake rotor hub. Three different types of defects were physically simulated on the surface of the hub, and the collected data were used to train an autoencoder-based deep learning model. Two models were tested, one using single measurements and the other using multiple measurements taking advantage of the spatial distribution of the sensor network. After training, the multi-measurement model achieved 100 % accuracy in identifying, classifying, and locating unseen, unique damages. This work illustrates the potential of the proposed method for a wide range of industrial applications.

36 MATERIALS SCIENCE↗

Semiclassical theory of electronically nonadiabatic transitions in molecular collision processes

An introductory account of the semiclassical theory of the S-matrix for molecular collision processes is presented, with special emphasis on electronically nonadiabatic transitions. This theory is based on the incorporation of classical mechanics with quantum superposition, and in practice makes use of the analytic continuation of classical mechanics into the complex space of time domain. The relevant concepts of molecular scattering theory and related dynamical models are described and the formalism is developed and illustrated with simple examples - collinear collision of the A+BC type. The theory is then extended to include the effects of laser-induced nonadiabatic transitions. Two bound continuum processes collisional ionization and collision-induced emission also amenable to the same general semiclassical treatment are discussed.

Lam, K. S.↗

Measurements of low energy electrons and ions during long-lived solar particle events

The stream of ions and electrons which appeared in planetary space for about eight days after an April 1979 solar flare exhibited a classic energetic storm particle (ESP) event ion pattern. Distinct populations of these electrons can be identified in association with IMF filaments, and the electron energy spectrum is well fit by a power law exponent of -2.7 during most of the event. The pitch angle distributions of the low energy electrons are found to be complex and to undergo many changes, with weak pitch angle scattering and adiabatic effects playing a role in the shaping of these distributions.

Anderson, K. A.↗

Computational methodology for radiation heat transfer in the flowfield of an AOTV

A computational methodology is developed for the calculation of radiation heat transfer in a non-scattering medium where nonequilibrium conditions exist and give rise to complex spectra. The specific problem of radiation in an aeroassisted orbital transfer vehicle (AOTV) flowfield is addressed. Nonequilibrium radiation from the gases around a hypersonic vehicle is evaluated using the NASA-Ames NEQAIR program together with a three-dimensional geometrical flowfield model. Nonequilibrium compositions and temperatures are taken from NASA-Langley 3-D hypersonic flowfield calculations that include real-gas effects and finite-rate chemical kinetics. It is shown that the concept of a transmission path adjustment, together with precomputations of curves of growth based upon local properties at flowfield locations, facilitates radiation calculations. Sample calculations of directional and spectral distributions of gas radiation received upon a hypersonic vehicle are presented.

Fuehrer, P. L.↗

Impact of Tropospheric Aerosol Absorption on Ozone Retrieval from buv Measurements

The impact of tropospheric aerosols on the retrieval of column ozone amounts using spaceborne measurements of backscattered ultraviolet radiation is examined. Using radiative transfer calculations, we show that uv-absorbing desert dust may introduce errors as large as 10% in ozone column amount, depending on the aerosol layer height and optical depth. Smaller errors are produced by carbonaceous aerosols that result from biomass burning. Though the error is produced by complex interactions between ozone absorption (both stratospheric and tropospheric), aerosol scattering, and aerosol absorption, a surprisingly simple correction procedure reduces the error to about 1%, for a variety of aerosols and for a wide range of aerosol loading. Comparison of the corrected TOMS data with operational data indicates that though the zonal mean total ozone derived from TOMS are not significantly affected by these errors, localized affects in the tropics can be large enough to seriously affect the studies of tropospheric ozone that are currently undergoing using the TOMS data.

Torres, O.↗

Scatter-Reducing Sounding Filtration Using a Genetic Algorithm and Mean Monthly Standard Deviation

Retrieval algorithms like that used by the Orbiting Carbon Observatory (OCO)-2 mission generate massive quantities of data of varying quality and reliability. A computationally efficient, simple method of labeling problematic datapoints or predicting soundings that will fail is required for basic operation, given that only 6% of the retrieved data may be operationally processed. This method automatically obtains a filter designed to reduce scatter based on a small number of input features. Most machine-learning filter construction algorithms attempt to predict error in the CO2 value. By using a surrogate goal of Mean Monthly STDEV, the goal is to reduce the retrieved CO2 scatter rather than solving the harder problem of reducing CO2 error. This lends itself to improved interpretability and performance. This software reduces the scatter of retrieved CO2 values globally based on a minimum number of input features. It can be used as a prefilter to reduce the number of soundings requested, or as a post-filter to label data quality. The use of the MMS (Mean Monthly Standard deviation) provides a much cleaner, clearer filter than the standard ABS(CO2-truth) metrics previously employed by competitor methods. The software's main strength lies in a clearer (i.e., fewer features required) filter that more efficiently reduces scatter in retrieved CO2 rather than focusing on the more complex (and easily removed) bias issues.

Mandrake, Lukas↗

Information Content of Aerosol Retrievals in the Sunglint Region

We exploit quantitative metrics to investigate the information content in retrievals of atmospheric aerosol parameters (with a focus on single-scattering albedo), contained in multi-angle and multi-spectral measurements with sufficient dynamical range in the sunglint region. The simulations are performed for two classes of maritime aerosols with optical and microphysical properties compiled from measurements of the Aerosol Robotic Network. The information content is assessed using the inverse formalism and is compared to that deriving from observations not affected by sunglint. We find that there indeed is additional information in measurements containing sunglint, not just for single-scattering albedo, but also for aerosol optical thickness and the complex refractive index of the fine aerosol size mode, although the amount of additional information varies with aerosol type.

aerosols↗

Comparison of Key Absorption and Optical Properties Between Pure and Transported Anthropogenic Dust over East and Central Asia

Asian dust particulate is one of the primary aerosol constituents in the Earth-atmosphere system that exerts profound influences on environmental quality, human health, the marine biogeochemical cycle, and Earth's climate. To date, the absorptive capacity of dust aerosol generated from the Asian desert region is still an open question. In this article, we compile columnar key absorption and optical properties of mineral dust over East and Central Asian areas by utilizing the multiyear quality-assured datasets observed at 13 sites of the Aerosol Robotic Network (AERONET). We identify two types of Asian dust according to threshold criteria from previously published literature. (1) The particles with high aerosol optical depth at 440 nm (AOD(440) > or = 0.4) and a low Angstrom wavelength exponent at 440-870 nm (alpha < 0.2) are defined as Pure Dust (PDU), which decreases disturbance of other non-dust aerosols and keeps high accuracy of pure Asian dust. (2) The particles with AOD(440) > or = 0.4 and 0.2 < alpha < 0.6 are designated as Transported Anthropogenic Dust (TDU), which is mainly dominated by dust aerosol and might mix with other anthropogenic aerosol types. Our results reveal that the primary components of high AOD days are predominantly dust over East and Central Asian regions, even if their variations rely on different sources, distance from the source, emission mechanisms, and meteorological characteristics. The overall mean and standard deviation of single-scattering albedo, asymmetry factor, real part and imaginary part of complex refractive index at 550 nm for Asian PDU are 0.935 +/- 0.014, 0.742 +/- 0.008, 1.526 +/- 0.029, and 0.00226 +/- 0.00056, respectively, while corresponding values are 0.921 +/- 0.021, 0.723 +/- 0.009, 1.521 +/- 0.025, and 0.00364 +/- 0.0014 for Asian TDU. Aerosol shortwave direct radiative effects at the top of the atmosphere (TOA), at the surface (SFC), and in the atmospheric layer (ATM) for Asian PDU (alpha < 0.2) and TDU (0.2 < alpha < 0.6) computed in this study, are a factor of 2 smaller than the results of Optical Properties of Aerosols and Clouds (OPAC) mineral-accumulated (mineral-acc.) and mineral-transported (mineral-tran.) modes. Therefore, we are convinced that our results hold promise for updating and improving accuracies of Asian dust characteristics in present-day remote sensing applications and regional or global climate models.

Bi, Jianrong↗

Simulating Meson Scattering on Spin Quantum Simulators

Studying high-energy collisions of composite particles, such as hadrons and nuclei, is an outstanding goal for quantum simulators. However, preparation of hadronic wave packets has posed a significant challenge, due to the complexity of hadrons and the precise structure of wave packets. This has limited demonstrations of hadron scattering on quantum simulators to date. Observations of confinement and composite excitations in quantum spin systems have opened up the possibility to explore scattering dynamics in spin models. In this article, we develop two methods to create entangled spin states corresponding to wave packets of composite particles in analog quantum simulators of Ising spin Hamiltonians. One wave-packet preparation method uses the blockade effect enabled by beyond-nearest-neighbor Ising spin interactions. The other method utilizes a quantum-bus-mediated exchange, such as the native spin-phonon coupling in trapped-ion arrays. With a focus on trapped-ion simulators, we numerically benchmark both methods and show that high-fidelity wave packets can be achieved in near-term experiments. We numerically study scattering of wave packets for experimentally realizable parameters in the Ising model and find inelastic-scattering regimes, corresponding to particle production in the scattering event, with prominent and distinct experimental signals. Our proposal, therefore, demonstrates the potential of observing inelastic scattering in near-term quantum simulators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Time-dependent phenomena in correlated materials

Understanding time-dependent processes and light-matter interaction in strongly correlated materials, and the interplay between electronic, orbital, vibrational, and spin degrees of freedom, is a cornerstone of condensed matter. These mechanisms can be proven by measuring the response of the systems to time-dependent perturbations. The corresponding time scales are dictated by the way light couples to the different excitations, and how these excitations exchange energy and momentum. Our research advances our understanding of these processes, and the interpretation of different equilibrium and time-resolved spectroscopies. Our project encompasses two main themes: (i) developing and refining computational techniques to study non-equilibrium spectroscopies including non-perturbative effects and (ii) applications to non-equilibrium phenomena. We have developed a new computational approach that works directly in the time domain: by including all the degrees of freedom involved in the scattering process (e.g. electrons, photons, neutrons), we solve the time dependent problem: a faithful numerical simulation of the experiment. By measuring the energy and momentum of the outgoing particles, we can extract information about the energy and momentum absorbed by the system. Prior to our work, people attempting to model and calculate non-equilibrium spectral functions relied on a description of the scattering cross section based on a formulation in the frequency domain, a treatment that is extremely cumbersome and complex. Our technique works in and out of equilibrium and can reproduce spectra by several spectroscopic techniques, such as time-resolved photoemission, neutron scattering, Raman, X-ray spectroscopies (RIXS, Auger, XAS, XMCD), and, by not relying on analytical approximations, yields results that reveal novel overlooked transient mechanisms. These tools provide sorely needed intuition for understanding the phenomenology of strongly correlated materials and will help experimentalists in identifying signatures of relevant excitations in pump-probe experiments, such as those conducted in DOE supported facilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Origin of Intrinsically Low Thermal Conductivity in a Garnet-Type Solid Electrolyte: Linking Lattice and Ionic Dynamics with Thermal Transport

Understanding thermal transport in solid electrolytes is essential for improving the performance, reliability, and safety of all-solid-state batteries. Garnet-type lithium-ion conductors are promising candidates for solid electrolytes, yet their thermal-transport mechanisms remain poorly understood. Here, we connect the lattice and ion dynamics of single-crystal garnet-type Li 6.5 La 3 Zr 1.5 Ta 0.5 O 12 to its intrinsically low thermal conductivity. Our study reveals that the single crystals grown by the floating-zone method exhibit remarkably low glasslike thermal conductivity. Using first-principles calculations and inelastic-neutron-scattering measurements, we identify both the acoustic and numerous optical phonon modes, which stem from the complex crystal structure of the material. Notably, a low-energy optical branch exhibits an avoided crossing with acoustic phonons near 7 meV. These optical modes can enhance the scattering of heat-carrying acoustic phonons and reduce thermal conductivity. Furthermore, the calculated Grüneisen parameters are large, especially for the vibrational modes around 6 meV, indicating strong anharmonicity, with a noticeable contribution from lithium-ion vibrations. A two-channel thermal-transport model is employed to describe the weak temperature dependence of the thermal conductivity, which can be attributed to the substantial contribution of diffuson transport facilitated by the abundance of optical phonons and intrinsic anharmonicity. These results offer valuable insights into the thermal transport in a broad class of ionic conductors of interest for energy conversion and storage applications.

Ab initio calculations↗

Polarization and scattering characteristics in the atmospheres of earth, Venus, and Jupiter

Our understanding of atmospheric scattering phenomena has increased through the combined developments of new electro-optical instrumentation, theoretical solutions for complex model atmospheres, and large computers enabling computation of such solutions. Earth satellites permit external, planetwide observations of our atmosphere, while spacecraft permit detailed measurements of the scattering by other planetary atmospheres. Some recent results are: elucidation of the effects of ozone absorption and high-altitude aerosol scattering on twilight colors and polarization; identification of a cloudbow on Venus and consequent deduction of the cloud particle shape, size distribution, and refractive index; and, the interpretation of Rayleigh scattering on Jupiter in terms of cloud-top topography.

Coffeen, D. L.↗