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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Polarimetric signatures of a layer of random nonspherical discrete scatterers overlying a homogeneous half-space based on first- and second-order vector radiative transfer theory

Complete polarimetric signatures of a layer of random, nonspherical discrete scatterers overlying a homogeneous half space are studied with the first- and second-order solutions of the vector radiative transfer theory. Some of the salient features of the numerical results are as follows: (1) the inclusion of the nondiagonal extinction matrix in the vector radiative transfer theory accounts for an appreciable phase difference between vv and hh polarizations, particularly for aligned scatterers; (2) the ensemble-averaged scattered Stokes vector is generally partially polarized, with the degree of polarization less than unity; (3) there generally exists a pedestal in the copolarization return when plotted as a function of ellipticity and orientation angles, which may be due to heterogeneity of scattering objects and/or multiple scattering effects; and (4) multiple scattering effects generally enhance the pedestal in copolarization return, decrease the degree of polarization, affect phase difference, and also enhance the depolarization return.

Tsang, Leung↗
DOE OSTI2026

Correlation-aware binning for small-angle neutron scattering via Gaussian-process inference

Binning in small-angle neutron scattering (SANS) is typically performed empirically, with fixed parameters chosen for convenience rather than statistical optimality. Such practices often fail to balance statistical precision and spatial resolution, leading to inconsistencies across instruments and datasets. Here we establish a correlation-aware framework that determines the optimal bin width from first principles by extending the classical Freedman–Diaconis (FD) rule to account for inter-bin correlations with a Gaussian process. In this formulation, the scattering intensity is treated as a smooth stochastic field whose statistical coherence is described by a covariance matrix. Analytical expressions of errors derived from this model yield closed-form criteria that separate the total deviation into contributions from counting noise, aliasing distortion and curvature-dependent correlation effects. Expressed in reduced variables, the resulting dimensionless error surface reveals a continuous transition from the uncorrelated FD regime to the correlation-dominated limit, providing a unified description of noise suppression and resolution control. Because the formulation depends only on the profile characteristics of scattering intensity I(Q), specifically its average intensity and first- and second-order derivatives, it applies generally to any SANS measurement regardless of sample, instrument or geometry. Experimental validation using small- and ultra-small-angle neutron scattering data confirms the predicted scaling behavior, demonstrating that correlation-aware inference systematically reduces mean-squared error and enables information-efficient reproducible data reduction across materials and instruments.

Tung, Chi-Huan [ORNL] (ORCID:0000000221972074)↗
NASA NTRS2010

Extinction-to-Backscatter Ratios of Saharan Dust Layers Derived from In-Situ Measurements and CALIPSO Overflights During NAMMA

We determine the aerosol extinction-to-backscatter (Sa) ratios of dust using airborne in-situ measurements of microphysical properties, and CALIPSO observations during the NASA African Monsoon Multidisciplinary Analyses (NAMMA). The NAMMA field experiment was conducted from Sal, Cape Verde during Aug-Sept 2006. Using CALIPSO measurements of the attenuated backscatter of lofted Saharan dust layers, we apply the transmittance technique to estimate dust Sa ratios at 532 nm and a 2-color method to determine the corresponding 1064 nm Sa. Using this method, we found dust Sa ratios of 39.8 plus or minus 1.4 sr and 51.8 plus or minus 3.6 sr at 532 nm and 1064 nm, respectively. Secondly, Sa ratios at both wavelengths is independently calculated using size distributions measured aboard the NASA DC-8 and estimates of Saharan dust complex refractive indices applied in a T-Matrix scheme. We found Sa ratios of 39.1 plus or minus 3.5 sr and 50.0 plus or minus 4 sr at 532 nm and 1064 nm, respectively, using the T-Matrix calculations applied to measured size spectra. Finally, in situ measurements of the total scattering (550 nm) and absorption coefficients (532 nm) are used to generate an extinction profile that is used to constrain the CALIPSO 532 nm extinction profile.

Omar, Ali H.↗
NASA NTRS2010

Extinction-to-Backscatter Ratios of Saharan Dust Layers Derived from In-Situ Measurements and CALIPSO Overflights During NAMMA

We determine the extinction-to-backscatter (Sa) ratios of dust using (1) airborne in-situ measurements of microphysical properties, (2) modeling studies, and (3) the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) observations recorded during the NASA African Monsoon Multidisciplinary Analyses (NAMMA) field experiment conducted from Sal, Cape Verde during Aug-Sept 2006. Using CALIPSO measurements of the attenuated backscatter of lofted Saharan dust layers, we apply the transmittance technique to estimate dust Sa ratios at 532 nm and a 2-color method to determine the corresponding 1064 nm Sa. This method yielded dust Sa ratios of 39.8 plus or minus 1.4 sr and 51.8 plus or minus 3.6 sr at 532 nm and 1064 nm, respectively. Secondly, Sa at both wavelengths is independently calculated using size distributions measured aboard the NASA DC-8 and estimates of Saharan dust complex refractive indices applied in a T-Matrix scheme. We found Sa ratios of 39.1 plus or minus 3.5 sr and 50.0 plus or minus 4 sr at 532 nm and 1064 nm, respectively, using the T-Matrix calculations applied to measured size spectra. Finally, in situ measurements of the total scattering (550 nm) and absorption coefficients (532 nm) are used to generate an extinction profile that is used to constrain the CALIPSO 532 nm extinction profile and thus generate a stratified 532 nm Sa. This method yielded an Sa ratio at 532 nm of 35.7 sr in the dust layer and 25 sr in the marine boundary layer consistent with a predominantly seasalt aerosol near the ocean surface. Combinatorial simulations using noisy size spectra and refractive indices were used to estimate the mean and uncertainty (one standard deviation) of these Sa ratios. These simulations produced a mean (plus or minus uncertainty) of 39.4 (plus or minus 5.9) sr and 56.5 (plus or minus 16.5) sr at 532 nm and 1064 nm, respectively, corresponding to percent uncertainties of 15% and 29%. These results will provide a measurements-based estimate of the dust Sa for use in backscatter lidar inversion algorithms such as CALIOP.

Omar, Ali H.↗
NASA NTRS2011

Coherent Backscattering by Polydisperse Discrete Random Media: Exact T-Matrix Results

The numerically exact superposition T-matrix method is used to compute, for the first time to our knowledge, electromagnetic scattering by finite spherical volumes composed of polydisperse mixtures of spherical particles with different size parameters or different refractive indices. The backscattering patterns calculated in the far-field zone of the polydisperse multiparticle volumes reveal unequivocally the classical manifestations of the effect of weak localization of electromagnetic waves in discrete random media, thereby corroborating the universal interference nature of coherent backscattering. The polarization opposition effect is shown to be the least robust manifestation of weak localization fading away with increasing particle size parameter.

Mishchenko, Michael I.↗
NASA NTRS2017

Detection of the Pairwise Kinematic Sunyaev-Zel'dovich Effect with BOSS DR11 and the Atacama Cosmology Telescope

We present a new measurement of the kinematic Sunyaev-Zel'dovich effect using data from the Atacama Cosmology Telescope (ACT) and the Baryon Oscillation Spectroscopic Survey (BOSS). Using 600 square degrees of overlapping sky area, we evaluate the mean pairwise baryon momentum associated with the positions of 50,000 bright galaxies in the BOSS DR11 Large Scale Structure catalog. A non-zero signal arises from the large-scale motions of halos containing the sample galaxies. The data fits an analytical signal model well, with the optical depth to microwave photon scattering as a free parameter determining the overall signal amplitude. We estimate the covariance matrix of the mean pairwise momentum as a function of galaxy separation, using microwave sky simulations, jackknife evaluation, and bootstrap estimates. The most conservative simulation-based errors give signal-to-noise estimates between 3.6 and 4.1 for varying galaxy luminosity cuts. We discuss how the other error determinations can lead to higher signal-to-noise values, and consider the impact of several possible systematic errors. Estimates of the optical depth from the average thermal Sunyaev-Zel'dovich signal at the sample galaxy positions are broadly consistent with those obtained from the mean pairwise momentum signal.

De Bernardis, F.↗
NASA NTRS2019

On the Convergence of Numerical Computations for Both Exact and Approximate Solutions for Electromagnetic Scattering by Nonspherical Dielectric Particles

We summarize the size parameter range of the applicability of four lightscattering computational methods for nonspheric dielectric particles. These methods include two exact methods - the extended boundary condition method (EBCM) and the invariant imbedding T-matrix method (II-TM) and two approximate approaches - the physical-geometric optics method (PGOM) and the improved geometric optics method (IGOM). For spheroids, the single-scattering properties computed by EBCM and II-TM agree for size parameters up to 150, and the comparison gives us confidence in using IITM as a benchmark for size parameters up to 150 for other geometries (e.g., hexagonal columns) because the applicability of II-TM with respect to particle shape is generic, as demonstrated in our previous studies involving a complex aggregate. This study demonstrates the convergence of the exact II-TM and approximate PGOM solutions for the complete set of single-scattering properties of a nonspherical shape other than spheroids and circular cylinders with particle sizes of ~48λ, specifically a hexagonal column with a size parameter of length as kL=300, where k=2π/λ and L is the column length. IGOM is also quite accurate except near the exact 180º backscattering direction. This study demonstrates that a synergetic combination of the numerically-exact II-TM and the approximate PGOM can seamlessly cover the entire size parameter range of practical interest. To demonstrate the applicability of the approach, we compute the optical properties of dust particles with a downstream application to the retrieval of dust aerosol optical thickness and effective particle size from polarimetric observations.

Ping Yang↗
NASA NTRS2017

Comprehensive Thematic T-Matrix Reference Database: A 2015-2017 Update

The T-matrix method pioneered by Peter C. Waterman is one of the most versatile and efficient numerically exact computer solvers of the time-harmonic macroscopic Maxwell equations. It is widely used for the computation of electromagnetic scattering by single and composite particles, discrete random media, periodic structures (including metamaterials), and particles in the vicinity of plane or rough interfaces separating media with different refractive indices. This paper is the eighth update to the comprehensive thematic database of peer-reviewed T-matrix publications initiated in 2004 and lists relevant publications that have appeared since 2015. It also references a small number of earlier publications overlooked previously.

T-matrix method↗
NASA NTRS2006

Electron Impact Excitation of Forbidden and Allowed Transitions in O(II)

The B-spline R-matrix method is used to investigate the electron impact excitation of forbidden and allowed transitions in singly ionized oxygen. The relativistic effects have been incorporated in the Breit-Pauli Hamiltonian. Flexible non-orthogonal sets of radial functions are used to obtain accurate target description and to represent the scattering functions. The 47 fine-structure levels of the 2s(sup 2)2p(sup 3), 2s2p(sup 4), 2s(sup 2)2p(sup 2)3s, 2s(sup 2)2p(sup 2)3p and 2s(sup 2)2p(sup 2)3d configurations have been included in the scattering calculation. A calculation with 62 levels in the close-coupling expansion using the Breit-Pauli R-matrix (BPRM) method with orthogonal radial functions has also been carried out to check electron correlation, relativistic and channel coupling effects. The present results are in good agreement with the previous 16-level BPRM calculation by Montenegro et a1 (2006 J. Phys. B: At. Mol. Opt. Phys. 39 1863-77) for the forbidden transitions, but differ from the 21-level BPRM calculation by McLaughlin and Bell (1998 J. Phys. B: At. Mol. Opt. Phys. 31 4317-29). Our cross sections for the first forbidden (sup 4)S(sup o)-(sup 2)D(sup o)and resonance (sup 4)S(sup o)-2s(sup 2)p(sup 4) (sup 4)P transitions are in reasonably good agreement with the electron energy-loss and merged-beams experiment.

Tayal, S. S.↗
DOE OSTI2025

Splitting regions and shrinking islands from higher point constraints

We study constraints from higher-point amplitudes on 2 → 2 scattering in the context of effective field theory (EFT) using the perturbative numerical S-matrix bootstrap. Specifically, we investigate the class of weakly coupled EFTs with amplitudes that obey the hidden zero and split conditions that are known to hold both for Tr(Φ 3 ) theory and for certain string tree amplitudes, including at 4-point the beta function. Requiring the splitting condition for the 5-point amplitude not only fixes nearly all its contact terms, but it also imposes non-linear constraints among the 4-point EFT Wilson coefficients. When included in the bootstrap, the resulting allowed region consistent with positivity is no longer convex but is restricted to a smaller non-convex region — which has a sharp corner near the string beta function! Assuming the absence of an infinite spin tower at the mass gap, the allowed region bifurcates into a trivial region (with states only above a chosen cutoff) and an island that continues to shrink around the string as more constraints are included in the bootstrap. The numerics indicate that in the absence of single-mass infinite spin towers the string beta function is the unique 4-point amplitude compatible with hidden zero and the 5-point splitting constraints. The analysis provides a prototype example for how features of higher-point amplitudes constrain the bootstrap of 4-point amplitudes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2008

Reliability and Confidence Interval Analysis of a CMC Turbine Stator Vane

High temperature ceramic matrix composites (CMC) are being explored as viable candidate materials for hot section gas turbine components. These advanced composites can potentially lead to reduced weight, enable higher operating temperatures requiring less cooling and thus leading to increased engine efficiencies. However, these materials are brittle and show degradation with time at high operating temperatures due to creep as well as cyclic mechanical and thermal loads. In addition, these materials are heterogeneous in their make-up and various factors affect their properties in a specific design environment. Most of these advanced composites involve two- and three-dimensional fiber architectures and require a complex multi-step high temperature processing. Since there are uncertainties associated with each of these in addition to the variability in the constituent material properties, the observed behavior of composite materials exhibits scatter. Traditional material failure analyses employing a deterministic approach, where failure is assumed to occur when some allowable stress level or equivalent stress is exceeded, are not adequate for brittle material component design. Such phenomenological failure theories are reasonably successful when applied to ductile materials such as metals. Analysis of failure in structural components is governed by the observed scatter in strength, stiffness and loading conditions. In such situations, statistical design approaches must be used. Accounting for these phenomena requires a change in philosophy on the design engineer s part that leads to a reduced focus on the use of safety factors in favor of reliability analyses. The reliability approach demands that the design engineer must tolerate a finite risk of unacceptable performance. This risk of unacceptable performance is identified as a component's probability of failure (or alternatively, component reliability). The primary concern of the engineer is minimizing this risk in an economical manner. The methods to accurately determine the service life of an engine component with associated variability have become increasingly difficult. This results, in part, from the complex missions which are now routinely considered during the design process. These missions include large variations of multi-axial stresses and temperatures experienced by critical engine parts. There is a need for a convenient design tool that can accommodate various loading conditions induced by engine operating environments, and material data with their associated uncertainties to estimate the minimum predicted life of a structural component. A probabilistic composite micromechanics technique in combination with woven composite micromechanics, structural analysis and Fast Probability Integration (FPI) techniques has been used to evaluate the maximum stress and its probabilistic distribution in a CMC turbine stator vane. Furthermore, input variables causing scatter are identified and ranked based upon their sensitivity magnitude. Since the measured data for the ceramic matrix composite properties is very limited, obtaining a probabilistic distribution with their corresponding parameters is difficult. In case of limited data, confidence bounds are essential to quantify the uncertainty associated with the distribution. Usually 90 and 95% confidence intervals are computed for material properties. Failure properties are then computed with the confidence bounds. Best estimates and the confidence bounds on the best estimate of the cumulative probability function for R-S (strength - stress) are plotted. The methodologies and the results from these analyses will be discussed in the presentation.

Murthy, Pappu L. N.↗
NASA NTRS1997

Probabilistic Evaluation of Bolted Joints in Polymer Matrix Composites

Computational methods are described to probabilistically simulate fracture in bolted composite structures. Progressive fracture is simulated via an innovative approach independent of stress intensity factors and fracture toughness. The effect on structure damage of design variable uncertainties is quantified. The Fast Probability Integrator is used to assess the scatter in the composite structure response before and after damage. Sensitivity of the response to design variables is evaluated. The methods are demonstrated for bolted joint polymer matrix composite panels under end loads. The effects of fabrication process are included in the simulation of damage in the bolted panel. The results show that the most effective way to reduce the end displacement at fracture is to control the load and ply thickness.

Chamis, C. C.↗
DOE OSTI2024

Quantum tensor network algorithms for evaluation of spectral functions on quantum computers

We investigate quantum algorithms derived from tensor networks to simulate the static and dynamic properties of quantum many-body systems. Using a sequentially prepared quantum circuit representation of a matrix product state (MPS) that we call a quantum tensor network (QTN), we demonstrate algorithms to prepare ground and excited states on a quantum computer and apply them to molecular nanomagnets (MNMs) as a paradigmatic example. In this setting, we develop two approaches for extracting the spectral correlation functions measured in neutron-scattering experiments: (a) a generalization of the SWAP test for computing wave function overlaps and, (b) a generalization of the notion of matrix product operators to the QTN setting which generates a linear combination of unitaries. The latter method is discussed in detail for translationally invariant spin-half systems, where it is shown to reduce the qubit resource requirements compared with the SWAP method and may be generalized to other systems. We demonstrate the versatility of our approaches by simulating spin-1/2 and spin-3/2 MNMs, with the latter being an experimentally relevant model of a Cr$^{3+}_{8}$ ring. Here, our approach has qubit requirements that are independent of the number of constituents of the many-body system and scale only logarithmically with the bond dimension of the MPS representation, making them appealing for implementation on near-term quantum hardware with mid-circuit measurement and reset.

Neutron scattering↗
NASA NTRS1993

Probabilistic assessment of composite structures

A general computational simulation methodology for an integrated probabilistic assessment of composite structures is discussed and demonstrated using aircraft fuselage (stiffened composite cylindrical shell) structures with rectangular cutouts. The computational simulation was performed for the probabilistic assessment of the structural behavior including buckling loads, vibration frequencies, global displacements, and local stresses. The scatter in the structural response is simulated based on the inherent uncertainties in the primitive (independent random) variables at the fiber matrix constituent, ply, laminate, and structural scales that describe the composite structures. The effect of uncertainties due to fabrication process variables such as fiber volume ratio, void volume ratio, ply orientation, and ply thickness is also included. The methodology has been embedded in the computer code IPACS (Integrated Probabilistic Assessment of Composite Structures). In addition to the simulated scatter, the IPACS code also calculates the sensitivity of the composite structural behavior to all the primitive variables that influence the structural behavior. This information is useful for assessing reliability and providing guidance for improvement. The results from the probabilistic assessment for the composite structure with rectangular cutouts indicate that the uncertainty in the longitudinal ply stress is mainly caused by the uncertainty in the laminate thickness, and the large overlap of the scatter in the first four buckling loads implies that the buckling mode shape for a specific buckling load can be either of the four modes.

Shiao, Michael E.↗
NASA NTRS1991

Theoretical studies of molecular collisions

The following subject areas are covered: (1) total integral reactive cross sections and vibrationally resolved reaction probabilities for F + H2 = HF + H; (2) a theoretical study of inelastic O + N2 collisions; (3) body frame close coupling wave packet approach to gas phase atom-rigit rotor inelastic collisions; (4) wave packet study of gas phase atom-rigit motor scattering; (5) the application of optical potentials for reactive scattering; (6) time dependent, three dimensional body frame quantal wave packet treatment of the H + H2 exchange reaction; (7) a time dependent wave packet approach to atom-diatom reactive collision probabilities; (8) time dependent wave packet for the complete determination of s-matrix elements for reactive molecular collisions in three dimensions; (9) a comparison of three time dependent wave packet methods for calculating electron-atom elastic scattering cross sections; and (10) a numerically exact full wave packet approach to molecule-surface scattering.

Kouri, Donald J.↗
DOE OSTI2024

Influence of extended interactions on spin dynamics in one-dimensional cuprates

Quasi-one-dimensional (1D) materials provide a unique platform for understanding the importance and influence of extended interactions on the physics of strongly correlated systems due to their relative structural simplicity and the existence of powerful theoretical tools well-adapted to one spatial dimension. Recently, this was highlighted by anomalous observations in the single-particle spectral function A(q, ω) of 1D cuprate chain compounds, measured by angle-resolved photoemission spectroscopy (ARPES), which were explained by the presence of a long-range attractive interaction. Such an extended interaction should leave its fingerprints on other observables, notably the dynamical spin structure factor S(q, ω), measured by neutron scattering or resonant inelastic x-ray scattering (RIXS). Starting from a simple Hubbard Hamiltonian in 1D and using time-dependent density matrix renormalization group (tDMRG) methods, we show that the presence of long-range attractive coupling, directly through an instantaneous Coulomb interaction V or retarded electron phonon (el-ph) coupling, can introduce significant spectral weight redistribution in S(q, ω) across a wide range of doping. Here, this underscores the significant impact that extended interactions can have on dynamical correlations among particles, and the importance of properly incorporating this influence in modeling. Our results demonstrate that S(q, ω) can provide a sensitive experimental constraint, which complements ARPES measurements, in identifying key interactions in 1D cuprates, beyond the standard Hubbard model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Entanglement Witness for Indistinguishable Electrons Using Solid-State Spectroscopy

Characterizing entanglement in quantum materials is crucial for advancing next-generation quantum technologies. Despite recent strides in witnessing entanglement in magnetic materials with distinguishable spin modes, quantifying entanglement in systems formed by indistinguishable electrons remains a formidable challenge. To solve this problem, we introduce a method to extract various four-fermion correlations by analyzing the nonlinearity in resonant inelastic x-ray scattering spectra. These correlations constitute the primary components of the cumulant two-particle reduced density matrix. We further derive bounds for its eigenvalues and demonstrate the linear scaling with fermionic entanglement depth, providing a reliable witness for entanglement. Using the material-relevant strongly correlated models as examples, we show how this entanglement witness can efficiently quantify multipartite entanglement across different phase regions, highlighting its advantage over quantum Fisher information. Published by the American Physical Society 2025

Liu, Tongtong (ORCID:0000000295324061)↗
NASA NTRS1973

Stability of matrix equations arising in electromagnetics

Many problems in electromagnetics can be formulated as a Fredholm equation of the first kind. In these problems it is desired to determine some function f(x) from its integral transform g(y). Except for special cases for which an explicit inverse operator is known, the equation is usually discretized by the method of moments into a matrix equation Af = g, which is then solved on a computer. A method of calculating the sensitivity of the solution of Af = g due to errors in either the vector g or the matrix A is developed. The usefulness of this method is demonstrated with problems from antenna theory, scattering theory, and remote sensing.

Klein, C.↗