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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

𝐴𝑏 initio density-matrix approach to exciton coherence: Phonon scattering, Coulomb interactions, and radiative recombination

Relaxation processes following light excitation in semiconductors are key in materials-based quantum technology applications. These processes are broadly studied in atomically thin transition-metal dichalcogenides, quasi-two-dimensional excitonic semiconductors in which atomistic design allows for tunable excited-state properties, such as relaxation lifetimes and photoinduced coherence. In this work, we present a density-matrix-based approach to compute exciton relaxation within a many-body ab initio perspective. We expand our previously developed Lindblad density-matrix formalism to capture multichannel electron-hole pair relaxation processes, including phonon and Coulomb scattering as well as radiative recombination, and we study their effect on the time-resolved excited-state propagation. Using monolayer MoSe 2 as a prototypical example, we examine many-body effects on the time-dependent dynamics of photoactive excitations, exploring how the electron-hole pair interactions are reflected in variations of the excitation energy, spectral signature, and state coherence. In conclusion, our method supplies a detailed understanding of exciton relaxation mechanisms in realistic materials, offering a previously unexplored pathway to study excited-state dynamics in semiconductors from first principles.

Band structure methods↗
NASA NTRS1993

Light scattering by size-shape distributions of randomly oriented axially symmetric particles of a size comparable to a wavelength

Rigorously light scattering by size-shape distributions of randomly oriented axially symmetric particles are calculated by the T-matrix method, as extended to randomly oriented scatterers. The computational scheme is described along with a newly developed convergence procedure that makes it possible to substantially reduce computer time and storage requirements. The elements of the Stokes scattering matrix for a power-law size distribution of randomly oriented moderately aspherical spheroids are shown to be much smoother than and differ substantially from those of equivalent monodisperse spheroids; averaging over orientations does not eliminate the necessity of averaging over particle sizes. The angular-scattering behavior of the ensembles of nonspherical particles is found to be significantly different from that of the equivalent polydisperse spheres.

Mishchenko, Michael I.↗
NASA NTRS2018

Scattering and Radiative Properties of Morphologically Complex Carbonaceous Aerosols: A Systematic Modeling Study

This paper provides a thorough modeling-based overview of the scattering and radiative properties of a wide variety of morphologically complex carbonaceous aerosols. Using the numerically-exact superposition T-matrix method, we examine the absorption enhancement, absorption Angstroem exponent (AAE), backscattering linear depolarization ratio (LDR), and scattering matrix elements of black-carbon aerosols with 11 different model morphologies ranging from bare soot to completely embedded soot-sulfate and soot-brown carbon mixtures. Our size-averaged results show that fluffy soot particles absorb more light than compact bare-soot clusters. For the same amount of absorbing material, the absorption cross section of internally mixed soot can be more than twice that of bare soot. Absorption increases as soot accumulates more coating material and can become saturated. The absorption enhancement is affected by particle size, morphology, wavelength, and the amount of coating. We refute the conventional belief that all carbonaceous aerosols have AAEs close to 1.0. Although LDRs caused by bare soot and certain carbonaceous particles are rather weak, LDRs generated by other soot-containing aerosols can reproduce strong depolarization measured by Burton et al. for aged smoke. We demonstrate that multi-wavelength LDR measurements can be used to identify the presence of morphologically complex carbonaceous particles, although additional observations can be needed for full characterization. Our results show that optical constants of the host/coating material can significantly influence the scattering and absorption properties of soot-containing aerosols to the extent of changing the sign of linear polarization. We conclude that for an accurate estimate of black-carbon radiative forcing, one must take into account the complex morphologies of carbonaceous aerosols in remote sensing studies as well as in atmospheric radiation computations.

carbonaceous aerosols; scattering matrix; polariza↗
NASA NTRS1979

A general and computationally fast formulation for radiative transfer with scattering

A general formulation of monocromatic radiative transfer with scattering has been developed for plane-parallel geometry. The inhomogeneous and nonisothermal medium absorbs, emits, and anisotropically scatters radiation. Surfaces can emit and scatter radiation in any specified manner. The solution procedure uses the fact that phase incoherent scattering is linear in radiative sources. Certain basic scattering functions are then defined and calculated by an adding computer code using matrix algebra. These scattering functions are weighted by the temperature field and summed (superimposed) to obtain the solution for any specific problem. Numerical results for exiting intensities and one-sided heat fluxes from general media bound by one arbitrary surface are presented. These parametric studies demonstrate the effects of scattering particles and surfaces on radiative transfer from inhomogeneous and nonisothermal media. Application of the formulation to radiative equilibrium is also discussed. The conclusion is that all problems in plane-parallel radiative transfer with scattering can be solved by a common and computationally fast algorithm based on this formulation.

Cogley, A. C.↗
NASA NTRS2004

Method Developed for Improving the Thermomechanical Properties of Silicon Carbide Matrix Composites

Today, a major thrust for achieving engine components with improved thermal capability is the development of fiber-reinforced silicon-carbide (SiC) matrix composites. These materials are not only lighter and capable of higher use temperatures than state-of-the-art metallic alloys and oxide matrix composites (approx. 1100 C), but they can provide significantly better static and dynamic toughness than unreinforced silicon-based monolithic ceramics. However, for successful application in advanced engine systems, the SiC matrix composites should be able to withstand component service stresses and temperatures for the desired component lifetime. Since the high-temperature structural life of ceramic materials is typically controlled by creep-induced flaw growth, a key composite property requirement is the ability to display high creep resistance under these conditions. Also, because of the possibility of severe thermal gradients in the components, the composites should provide maximum thermal conductivity to minimize the development of thermal stresses. State-of-the-art SiC matrix composites are typically fabricated via a three-step process: (1) fabrication of a component-shaped architectural preform reinforced by high-performance fibers, (2) chemical vapor infiltration of a fiber coating material such as boron nitride (BN) into the preform, and (3) infiltration of a SiC matrix into the remaining porous areas in the preform. Generally, the highest performing composites have matrices fabricated by the CVI process, which produces a SiC matrix typically more thermally stable and denser than matrices formed by other approaches. As such, the CVI SiC matrix is able to provide better environmental protection to the coated fibers, plus provide the composite with better resistance to crack propagation. Also, the denser CVI SiC matrix should provide optimal creep resistance and thermal conductivity to the composite. However, for adequate preform infiltration, the CVI SiC matrix process typically has to be conducted at temperatures below 1100 C, which results in a SiC matrix that is fairly dense, but contains metastable atomic defects and is nonstoichiometric because of a small amount of excess silicon. Because these defects typically exist at the matrix grain boundaries, they can scatter thermal phonons and degrade matrix creep resistance by enhancing grain-boundary sliding. To eliminate these defects and improve the thermomechanical properties of ceramic composites with CVI SiC matrices, researchers at the NASA Glenn Research Center developed a high-temperature treatment process that can be used after the CVI SiC matrix is deposited into the fiber preform.

Bhatt, Ramakrishna T.↗
NASA NTRS1973

Matrix operator theory of radiative transfer. I - Rayleigh scattering.

An entirely rigorous method for the solution of the equations for radiative transfer based on the matrix operator theory is reviewed. The advantages of the present method are: (1) all orders of the reflection and transmission matrices are calculated at once; (2) layers of any thickness may be combined, so that a realistic model of the atmosphere can be developed from any arbitrary number of layers, each with different properties and thicknesses; (3) calculations can readily be made for large optical depths and with highly anisotropic phase functions; (4) results are obtained for any desired value of the surface albedo including the value unity and for a large number of polar and azimuthal angles; (5) all fundamental equations can be interpreted immediately in terms of the physical interactions appropriate to the problem; and (6) both upward and downward radiance can be calculated at interior points from relatively simple expressions.

Plass, G. N.↗
NASA NTRS1979

The adiabatic semiclassical perturbation theory for vibrationally inelastic scattering. I - Collinear calculations. II - Three-dimensional treatment

A semiclassical approximation to treat vibrationally inelastic scattering is developed. The vibrational basis set used is adiabatic with respect to a reference potential which is chosen to be as close as possible to the true potential and also gives easily obtainable solutions to the vibrational wave equation. The radial wave functions are obtained using the WKB approximation, and the coupled Schroedinger equations are solved by a first-order perturbation method to yield a phase shift matrix which is exponentiated to give the full scattering matrix. Results were obtained for all the cases computed by Secrest and Johnson and by Clark and Dickinson, and the agreement is better than 10% for half of the cross-sections and rarely off by more than a factor of 2.

Cross, R. J., Jr.↗
NASA NTRS1990

Theory and experimental technique for nondestructive evaluation of ceramic composites

The important ultrasonic scattering mechanisms for SiC and Si3N4 ceramic composites were identified by examining the interaction of ultrasound with individual fibers, pores, and grains. The dominant scattering mechanisms were identified as asymmetric refractive scattering due to porosity gradients in the matrix material, and symmetric diffractive scattering at the fiber-to-matrix interface and at individual pores. The effect of the ultrasonic reflection coefficient and surface roughness in the ultrasonic evaluation was highlighted. A new nonintrusive ultrasonic evaluation technique, angular power spectrum scanning (APSS), was presented that is sensitive to microstructural variations in composites. Preliminary results indicate that APSS will yield information on the composite microstructure that is not available by any other nondestructive technique.

Generazio, Edward R.↗
NASA NTRS2003

Multilineage differentiation of rhesus monkey embryonic stem cells in three-dimensional culture systems

In the course of normal embryogenesis, embryonic stem (ES) cells differentiate along different lineages in the context of complex three-dimensional (3D) tissue structures. In order to study this phenomenon in vitro under controlled conditions, 3D culture systems are necessary. Here, we studied in vitro differentiation of rhesus monkey ES cells in 3D collagen matrixes (collagen gels and porous collagen sponges). Differentiation of ES cells in these 3D systems was different from that in monolayers. ES cells differentiated in collagen matrixes into neural, epithelial, and endothelial lineages. The abilities of ES cells to form various structures in two chemically similar but topologically different matrixes were different. In particular, in collagen gels ES cells formed gland-like circular structures, whereas in collagen sponges ES cells were scattered through the matrix or formed aggregates. Soluble factors produced by feeder cells or added to the culture medium facilitated ES cell differentiation into particular lineages. Coculture with fibroblasts in collagen gel facilitated ES cell differentiation into cells of a neural lineage expressing nestin, neural cell adhesion molecule, and class III beta-tubulin. In collagen sponges, keratinocytes facilitated ES cell differentiation into cells of an endothelial lineage expressing factor VIII. Exogenous granulocyte-macrophage colony-stimulating factor further enhanced endothelial differentiation. Thus, both soluble factors and the type of extracellular matrix seem to be critical in directing differentiation of ES cells and the formation of tissue-like structures. Three-dimensional culture systems are a valuable tool for studying the mechanisms of these phenomena.

Pluripotent Stem Cells/cytology/physiology↗
NASA NTRS1990

Coherent backscatter and the radar characteristics of outer planet satellites

It is presently suggested that the diffuse component-dominated high radar reflectivities and large polarization of Europa, Ganymede, and Callisto could be due to the illumination by a collimated source of a weakly absorbing particulate medium in which wavelength-scaled scatterers are separated by distances somewhat larger than the wavelength. A plausible medium could be a regolith composed of voids and/or silicate rocks imbedded in an icy matrix; multiply-scattered parts of the wavefront traversing the same path in opposite directions combine coherently in the backscatter direction to generate increased intensity, and the enhancement is different for the two components of polarized reflected radiation.

Hapke, Bruce↗
NASA NTRS2008

Efficient Kriging via Fast Matrix-Vector Products

Interpolating scattered data points is a problem of wide ranging interest. Ordinary kriging is an optimal scattered data estimator, widely used in geosciences and remote sensing. A generalized version of this technique, called cokriging, can be used for image fusion of remotely sensed data. However, it is computationally very expensive for large data sets. We demonstrate the time efficiency and accuracy of approximating ordinary kriging through the use of fast matrixvector products combined with iterative methods. We used methods based on the fast Multipole methods and nearest neighbor searching techniques for implementations of the fast matrix-vector products.

Memarsadeghi, Nargess↗
DOE OSTI2026

Active learning emulators for nuclear two-body scattering in momentum space

In this work we extend the active learning emulators for two-body scattering in coordinate space with error estimation, recently developed by Maldonado et al. [Phys. Rev. C 112, 024002], to coupled-channel scattering in momentum space. Our full-order model (FOM) solver is based on the Lippmann-Schwinger integral equation for the scattering t-matrix as opposed to the radial Schrödinger equation. We use (Petrov-)Galerkin projections and high-fidelity calculations at a few snapshots across the parameter space of the interaction to construct efficient reduced-order models (ROMs), trained by a greedy algorithm for locally optimal snapshot selection. Both the FOM solver and the corresponding ROMs are implemented efficiently in Python using Google's JAX library. We present results for emulating scattering phase shifts in coupled and uncoupled channels and cross sections, and assess the accuracy of the developed ROMs and their computational speedup factors. We also develop emulator error estimation for both the t-matrix and the total cross section. The software framework for reproducing and extending our results is publicly available. Together with our recent advances in developing active-learning emulators for three-body scattering, these emulator frameworks set the stage for full Bayesian calibrations of chiral nuclear interactions and optical models against scattering data with quantified emulator errors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1984

A scatter model for vegetation up to Ku-band

A scatter model is developed based on the matrix doubling method for volume scattering and the Kirchhoff method in rough surface scattering. Scattering from vegetation is assumed to be dominated by leaves and a single leaf is modeled by a thin dielectric disk. In developing the phase matrix for the disk, field within the disk is taken to be constant over the disk thickness, but phase changes across the surface of the disk are accounted for. Comparisons of this scatter model with radar measurements indicate good agreements in polarization, angular trends, and frequency up to Ku-band. This represents a considerable improvement over low-frequency scatter models which are valid up to S-band.

Eom, H. J.↗
NASA NTRS1974

High purity silica reflecting heat shield development

A reflecting heat shield composed of fused silica in which the scattering results from the refractive index mismatch between silica particles and the voids introduced during the fabrication process is developed. Major considerations and conclusions of the development are: the best material to use is Type A, which is capable of ultra-high-purity and which does not show the 0.243 micrometer absorption band; the reflection efficiency of fused silica is decreased at higher temperatures due to the bathochromic shift of the ultraviolet cut-off; for a given silica material, over the wavelength region and particle sizes tested, the monodisperse particle size configurations produce higher reflectances than continuous particle size configurations; and the smaller monodisperse particle size configurations give higher reflectance than the larger ones. A reflecting silica configuration that is an efficient reflector of shock layer radiation at high ablation temperatures is achieved by tailoring the matrix for optimum scattering and using an ultra-high-purity material.

Congdon, W.↗
DOE OSTI2025

Beyond-Hubbard Pairing in a Cuprate Ladder

The Hubbard model is believed to capture the essential physics of cuprate superconductors. However, recent theoretical studies suggest that it fails to reproduce a robust and homogeneous superconducting ground state. Here, using resonant inelastic x-ray scattering and density matrix renormalization group calculations, we show that magnetic excitations in the prototypical cuprate ladder Sr 14 Cu 24 O 41 are inconsistent with those of a simple Hubbard model. The magnetic response of hole carriers, contributing to an emergent branch of spin-flip excitations, is strongly suppressed. This effect is the consequence of strong d -wavelike pairing, enhanced by nearly an order of magnitude through a large nearest-neighbor attractive interaction and persisting up to at least 260 K. The close connection between the physics of cuprate ladders and that of the two-dimensional compounds suggests that such an enhanced hole pairing may be a universal feature of superconducting cuprates. Published by the American Physical Society 2025

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2001

Polarizing Grids, their Assemblies and Beams of Radiation

This article gives an analysis of the behavior of polarizing grids and reflecting polarizers by solving Maxwell's equations, for arbitrary angles of incidence and grid rotation, for cases where the excitation is provided by an incident plane wave or a beam of radiation. The scattering and impedance matrix representations are derived and used to solve more complicated configurations of grid assemblies. The results are also compared with data obtained in the calibration of reflecting polarizers at the Owens Valley Radio Observatory (OVRO). From these analysis, we propose a method for choosing the optimum grid parameters (wire radius and spacing). We also provide a study of the effects of two types of errors (in wire separation and radius size) that can be introduced in the fabrication of a grid.

Houde, Martin↗
NASA NTRS1998

Probabilistic Modeling of Ceramic Matrix Composite Strength

Uncertainties associated with the primitive random variables such as manufacturing process (processing temperature, fiber volume ratio, void volume ratio), constituent properties (fiber, matrix and interface), and geometric parameters (ply thickness, interphase thickness) have been simulated to quantify the scatter in the first matrix cracking strength (FMCS) and the ultimate tensile strength of SCS-6/RBSN (SiC fiber (SCS-6) reinforced reaction-bonded silicon nitride composite) ceramic matrix composite laminate at room temperature. Cumulative probability distribution function for the FMCS and ultimate tensile strength at room temperature (RT) of (0)(sub 8), (0(sub 2)/90(sub 2), and (+/-45(sub 2))(sub S) laminates have been simulated and the sensitivity of primitive variables to the respective strengths have been quantified. Computationally predicted scatter of the strengths for a uniaxial laminate have been compared with those from limited experimental data. Also the experimental procedure used in the tests has been described briefly. Results show a very good agreement between the computational simulation and the experimental data. Dominating failure modes in (0)(sub 8), (0/90)(sub s) and (+/-45)(sub S) laminates have been identified. Results indicate that the first matrix cracking strength for the (0)(sub S), and (0/90)(sub S) laminates is sensitive to the thermal properties, modulus and strengths of both the fiber and matrix whereas the ultimate tensile strength is sensitive to the fiber strength and the fiber volume ratio. In the case of a (+/-45)(sub S), laminate, both the FMCS and the ultimate tensile strengths have a small scatter range and are sensitive to the fiber tensile strength as well as the fiber volume ratio.

Shan, Ashwin R.↗
NASA NTRS1985

A study of backscattering and emission from closely packed inhomogeneous media

The effects of close spacing between small scattering spheres were examined by keeping the distance-dependent terms in the expressions for the transverse scattered fields. The phase matrix was then derived from these fields and was used in the radiative transfer formulation to model scattering and emission from a densely populated, inhomogeneous layer. Computed results were compared with those obtained when the phase matrix was specialized to the far-field condition. It was found that the use of the far-zone condition tended to underestimate both the level of the copolarized backscattering and the cross-polarized backscattering. In emission computations, the use of the far-zone condition overestimated the level of the brightness temperature. These effects decreased with a decrease in the volume fraction or an increase in the exploring frequency, as expected. An improvement on the snow parameter (density and crystal size) estimation was shown to be possible when this new phase matrix was used.

Fung, A. K.↗