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NASA NTRS1996

Thermomechanical Property Data Base Developed for Ceramic Fibers

A key to the successful application of metal and ceramic composite materials in advanced propulsion and power systems is the judicious selection of continuous-length fiber reinforcement. Appropriate fibers can provide these composites with the required thermomechanical performance. To aid in this selection, researchers at the NASA Lewis Research Center, using in-house state-of-the-art test facilities, developed an extensive data base of the deformation and fracture properties of commercial and developmental ceramic fibers at elevated temperatures. Lewis' experimental focus was primarily on fiber compositions based on silicon carbide or alumina because of their oxidation resistance, low density, and high modulus. Test approaches typically included tensile and flexural measurements on single fibers or on multifilament tow fibers in controlled environments of air or argon at temperatures from 800 to 1400 C. Some fiber specimens were pretreated at composite fabrication temperatures to simulate in situ composite conditions, whereas others were precoated with potential interphase and matrix materials.

Source record↗

NASA NTRS1995

Mechanical Properties of Aerogels

Aerogels are extremely low density solids that are characterized by a high porosity and pore sizes on the order of nanometers. Their low thermal conductivity and sometimes transparent appearance make them desirable for applications such as insulation in cryogenic vessels and between double paned glass in solar architecture. An understanding of the mechanical properties of aerogels is necessary before aerogels can be used in load bearing applications. In the present study, the mechanical behavior of various types of fiber-reinforced silica aerogels was investigated with hardness, compression, tension and shear tests. Particular attention was paid to the effects of processing parameters, testing conditions, storage environment, and age on the aerogels' mechanical response. The results indicate that the addition of fibers to the aerogel matrix generally resulted in softer, weaker materials with smaller elastic moduli. Furthermore, the testing environment significantly affected compression results. Tests in ethanol show an appreciable amount of scatter, and are not consistent with results for tests in air. In fact, the compression specimens appeared to crack and begin to dissolve upon exposure to the ethanol solution. This is consistent with the inherent hydrophobic nature of these aerogels. In addition, the aging process affected the aerogels' mechanical behavior by increasing their compressive strength and elastic moduli while decreasing their strain at fracture. However, desiccation of the specimens did not appreciably affect the mechanical properties, even though it reduced the aerogel density by removing trapped moisture. Finally, tension and shear test results indicate that the shear strength of the aerogels exceeds the tensile strength. This is consistent with the response of brittle materials. Future work should concentrate on mechanical testing at cryogenic temperatures, and should involve more extensive tensile tests. Moreover, before the mechanical response of reinforced aerogels can be fully understood, more tests of unreinforced aerogels are necessary. Unreinforced aerogels are of particular use because their birefringent nature allows for visual determination of stress fields during mechanical testing. The success of any future tests depends on the availability of a large supply of quality specimens with well-documented preparation and storage histories.

Parmenter, Kelly E.↗

DOE OSTI2022

Pairwise connected tensor network representation of path integrals

It has been recently shown how the tensorial nature of real-time path integrals (PIs) involving the Feynman-Vernon influence functional can be utilized with matrix product states, taking advantage of the finite length of the bath-induced memory. Tensor networks (TNs) promise to provide a unified language to express the structure of a PI. A generalized TN specifically incorporating the pairwise interaction structure of the influence functional and its invariance with respect to the average forward-backward position or the sojourn value in the form of the blip representation is derived and implemented. This pairwise connected TNPI (PC-TNPI) is illustrated through applications to typical spin-boson problems and explorations of the differences caused by the exact form of the spectral density. The storage and performance scalings are reported, showing the compactness of the representation and the efficiency of the contraction process. Finally, taking advantage of the compressed representation, the viability of using PC-TNPI for simulating multistate problems is demonstrated. The PC-TNPI structure can be shown to yield other TN algorithms currently in use. Consequently, it should be possible to use it as a starting point for deriving other optimized procedures.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Fast and robust all-electron density functional theory calculations in solids using orthogonalized enriched finite elements

Here, we present a computationally efficient approach to perform systematically convergent real-space all-electron Kohn-Sham density functional theory calculations for solids using an enriched finite element (FE) basis. The enriched FE basis is constructed by augmenting the classical FE basis with atom-centered numerical basis functions, comprising of atomic solutions to the Kohn-Sham problem. Notably, to improve the conditioning, we orthogonalize the enrichment functions with respect to the classical FE basis, without sacrificing the locality of the resultant basis. In addition to improved conditioning, this orthogonalization procedure also renders the overlap matrix block diagonal, greatly simplifying its inversion. Subsequently, we use a Chebyshev polynomial based filtering technique to efficiently compute the occupied eigenspace in each self-consistent field iteration. We demonstrate the accuracy and efficiency of the proposed approach on periodic unit cells and supercells. The benchmark studies show a staggering 130× speedup of the orthogonalized enriched FE basis over the classical FE basis. We also present a comparison of the orthogonalized enriched FE basis with the linearized augmented plane-wave + local orbitals basis, both in terms of accuracy and efficiency. Notably, we demonstrate that the orthogonalized enriched FE basis can handle large system sizes of ~10 000 electrons. Finally, we observe good parallel scalability of our implementation with 92% efficiency at 22× speedup for a system with 620 electrons

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Hanford Low-Activity Waste Glass Minor Component Concentration Boundary Expansion

This study investigated the effects of increasing concentrations of minor components on simulated Hanford low-activity waste (LAW) glass properties to allow for LAW glass composition envelope expansion. A test matrix of ten glasses was generated by spiking three previously studied simulated Hanford LAW glass compositions with increasing concentrations of minor component mixes up to a total concentration of 2 wt%. In this study, the ten glasses were fabricated, and key properties were measured including crystal formation after canister centerline cooling (CCC), crystallinity as a function of temperature, density, viscosity, electrical conductivity, glass durability using the Vapor Hydration Test (VHT), product consistency using the Product Consistency Test (PCT), and sulfur solubility. The data from these tests are presented in this report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Separation of Lipoproteins for Quantitative Analysis of 14 C-Labeled Lipid-Soluble Compounds by Accelerator Mass Spectrometry

To date, 14 C tracer studies using accelerator mass spectrometry (AMS) have not yet resolved lipid-soluble analytes into individual lipoprotein density subclasses. The objective of this work was to develop a reliable method for lipoprotein separation and quantitative recovery for biokinetic modeling purposes. The novel method developed provides the means for use of small volumes (10–200 µL) of frozen plasma as a starting material for continuous isopycnic lipoprotein separation within a carbon- and pH-stable analyte matrix, which, following post-separation fraction clean up, created samples suitable for highly accurate 14 C/ 12 C isotope ratio determinations by AMS. Manual aspiration achieved 99.2 ± 0.41% recovery of [5- 14 CH 3 ]-(2R, 4'R, 8'R)-α-tocopherol contained within 25 µL plasma recovered in triacylglycerol rich lipoproteins (TRL = Chylomicrons + VLDL), LDL, HDL, and infranatant (INF) from each of 10 different sampling times for one male and one female subject, n = 20 total samples. Small sample volumes of previously frozen plasma and high analyte recoveries make this an attractive method for AMS studies using newer, smaller footprint AMS equipment to develop genuine tracer analyses of lipophilic nutrients or compounds in all human age ranges.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1976

Radiance, polarization, and ellipticity of the radiation in the earth's atmosphere

The complete radiation field including polarization is calculated for a model of the real atmosphere by the matrix operator method. The radiance, direction and amount of polarization, and ellipticity are obtained at the top and bottom of the atmosphere for three values of the surface albedo (0; 0.15 0.90) and five solar zenith angles. Scattering and absorption by molecules (including ozone) and by aerosols are taken into account together with the variation of the number density of these substances with height. All results are calculated for both a normal aerosol number and a distribution which is one-third of the normal amount at all heights. The calculated values show general qualitative agreement with the available experimental measurements. The position of the neutral points of the polarization in the principal plane is a sensitive indicator of the characteristics of the aerosol particles in the atmosphere, since it depends on the sign and value of the single scattered polarization for scattering angles around 20 deg and 160 deg for transmitted and reflected photons respectively.

Hitzfelder, S. J.↗

NASA NTRS1985

Models of the upper atmosphere

Several computer models of the thermosphere are discussed. J70MM, the Jacchia 1970 model with matrix and matrix mean output, and J703X, the Jacchia 1970, 1971, and 1977 models, are of primary interest. The subroutines in these programs were studied in detail, and several mistakes were found and corrected. It is proposed that a weighted average of the three-hour geomagnetic index be used in the models rather than a single index value. The densities (for a given date and time) generated by the J703X program (all three models), using both a single value of the index and weighted averages for three different lag times, are tabulated and discussed. Most of the equations used in the models are the results of empirical curve fits. An attempt was made to generate a theoretical prediction of the thermospheric temperature profile based on a simple physical model of atmospheric heat conduction in a spherically-symmetric shell. The exponential heating theory and the temperature dependence of k are discussed.

Davis, T. M.↗

NASA NTRS1993

Study on solidification of immisible alloys (M-10)

Alloying of immiscible alloys under microgravity is of interest in metallurgical processes. Several experiments investigating the alloying of immiscible alloys, such as Al-In, Al-Bi, Zn-Bi, and Zn-Pb, were done in space. Homogeneous distribution of small L2 particles in the matrix, such as an emulsion structure, was expected in the space-solidifed alloys. However, the alloys demonstrated an extremely segregated structure. To date insufficient information was obtained to explain these unexpected results. Our experiment was proposed to clarify the solidification manner of immiscible alloys and to obtain fundamental information concerning structural control of the alloys. In space, density differences between the two liquids separated in immiscible regions can be neglected, so that no sedimentation of L(sub 2) phase will take place. When the growth of the alloys is interrupted and this status is frozen by an adequate rapid cooling procedure, it will provide much information concerning decomposing homogeneous liquid and the interaction between the monotectic growth front morphology and the distribution of L(sub 2) phase. It is anticipated that the results will be useful for elucidating the monotectic solidification manner and it will be instructive to explain the segregated structures obtained in the past space experiments.

Kamio, Akihiko↗

NASA NTRS1995

Theoretical Infrared Spectra for Polycyclic Aromatic Hydrocarbon Neutrals, Cations and Anions

Calculations are carried out using density functional theory (DFT) to determine the harmonic frequencies and intensities of the neutrals and cations of thirteen polycyclic aromatic hydrocarbons (PAHs) up to the size of ovalene. Calculations are also carried out for a few PAH anions. The DFT harmonic frequencies, when uniformly scaled by the factor of 0.958 to account primarily for anharmonicity, agree with the matrix isolation fundamentals to within an average error of about 10 per centimeter. Electron correlation is found to significantly reduce the intensities of many of the cation harmonics, bringing them into much better agreement with the available experimental data. While the theoretical infrared spectra agree well with the experimental data for the neutral systems and for many of the cations, there are notable discrepancies with the experimental matrix isolation data for some PAH cations that are difficult to explain in terms of limitations in the calculations. In agreement with previous theoretical work, the present calculations show that the relative intensities for the astronomical unidentified infrared (UIR) bands agree reasonably well with those for a distribution of polycyclic aromatic hydrocarbon (PAH) cations, but not with a distribution of PAH neutrals. We also observe that the infrared spectra of highly symmetrical cations such as coronene agree much better with astronomical observations than do those of, for example, the polyacenes such as tetracene and pentacene. The total integrated intensities for the neutral species are found to increase linearly with size, while the total integrated intensities are much larger for the cations and scale more nearly quadratically with size. We conclude that emission from moderate-sized highly symmetric PAH cations such as coronene and larger could account for the UIR bands.

Langhoff, Stephen R.↗

NASA NTRS2005

Baseline Computational Fluid Dynamics Methodology for Longitudinal-Mode Liquid-Propellant Rocket Combustion Instability

A computational method for the analysis of longitudinal-mode liquid rocket combustion instability has been developed based on the unsteady, quasi-one-dimensional Euler equations where the combustion process source terms were introduced through the incorporation of a two-zone, linearized representation: (1) A two-parameter collapsed combustion zone at the injector face, and (2) a two-parameter distributed combustion zone based on a Lagrangian treatment of the propellant spray. The unsteady Euler equations in inhomogeneous form retain full hyperbolicity and are integrated implicitly in time using second-order, high-resolution, characteristic-based, flux-differencing spatial discretization with Roe-averaging of the Jacobian matrix. This method was initially validated against an analytical solution for nonreacting, isentropic duct acoustics with specified admittances at the inflow and outflow boundaries. For small amplitude perturbations, numerical predictions for the amplification coefficient and oscillation period were found to compare favorably with predictions from linearized small-disturbance theory as long as the grid exceeded a critical density (100 nodes/wavelength). The numerical methodology was then exercised on a generic combustor configuration using both collapsed and distributed combustion zone models with a short nozzle admittance approximation for the outflow boundary. In these cases, the response parameters were varied to determine stability limits defining resonant coupling onset.

Litchford, R. J.↗

NASA NTRS2011

Direct Simulation of Multiple Scattering by Discrete Random Media Illuminated by Gaussian Beams

The conventional orientation-averaging procedure developed in the framework of the superposition T-matrix approach is generalized to include the case of illumination by a Gaussian beam (GB). The resulting computer code is parallelized and used to perform extensive numerically exact calculations of electromagnetic scattering by volumes of discrete random medium consisting of monodisperse spherical particles. The size parameters of the scattering volumes are 40, 50, and 60, while their packing density is fixed at 5%. We demonstrate that all scattering patterns observed in the far-field zone of a random multisphere target and their evolution with decreasing width of the incident GB can be interpreted in terms of idealized theoretical concepts such as forward-scattering interference, coherent backscattering (CB), and diffuse multiple scattering. It is shown that the increasing violation of electromagnetic reciprocity with decreasing GB width suppresses and eventually eradicates all observable manifestations of CB. This result supplements the previous demonstration of the effects of broken reciprocity in the case of magneto-optically active particles subjected to an external magnetic field.

Mackowski, Daniel W.↗

DOE OSTI2025

Weak bosons as partons below 10 TeV partonic center-of-momentum

We investigate the modeling of weak boson number densities for leptons and hadrons in practical calculations in the Standard Model. Working in the framework of the Effective $W$ Approximation (EWA) and in $R_\xi$ and axial gauges, we derive the unrenormalized, tree-level parton number density functions for weak bosons from massless leptons at next-to-leading power in the collinear expansion. Corrections exhibit a number of properties, including those conjectured but never universally derived. Parallels with heavy quark factorization are also found. We avoid pathologies through a novel set of kinematical consistency conditions. When satisfied, good agreement between the full and approximated matrix elements is achieved. Findings suggest that the EWA may be testable at the Large Hadron Collider with $450$ fb$^{-1}$ luminosity of same-sign $WW$ scattering data at $\sqrt{s}=13.6$ TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Multiscale Modeling of Nanoparticle Precipitation in Oxide Dispersion-Strengthened Steels Produced by Laser Powder Bed Fusion

Laser Powder Bed Fusion (LPBF) enables the efficient production of near-net-shape oxide dispersion-strengthened (ODS) alloys, which possess superior mechanical properties due to oxide nanoparticles (e.g., yttrium oxide, Y-O, and yttrium-titanium oxide, Y-Ti-O) embedded in the alloy matrix. To better understand the precipitation mechanisms of the oxide nanoparticles and predict their size distribution under LPBF conditions, we developed an innovative physics-based multiscale modeling strategy that incorporates multiple computational approaches. These include a finite volume method model (Flow3D) to analyze the temperature field and cooling rate of the melt pool during the LPBF process, a density functional theory model to calculate the binding energy of Y-O particles and the temperature-dependent diffusivities of Y and O in molten 316L stainless steel (SS), and a cluster dynamics model to evaluate the kinetic evolution and size distribution of Y-O nanoparticles in as-fabricated 316L SS ODS alloys. The model-predicted particle sizes exhibit good agreement with experimental measurements across various LPBF process parameters, i.e., laser power (110–220 W) and scanning speed (150–900 mm/s), demonstrating the reliability and predictive power of the modeling approach. The multiscale approach can be used to guide the future design of experimental process parameters to control oxide nanoparticle characteristics in LPBF-manufactured ODS alloys. Additionally, our approach introduces a novel strategy for understanding and modeling the thermodynamics and kinetics of precipitation in high-temperature systems, particularly molten alloys.

Wang, Zhengming (ORCID:0000000241627112)↗

NASA NTRS1979

Landsat-D thematic mapper simulation in an urban area using aircraft multispectral scanner data

A simulation of imagery from the Landsat-D thematic mapper was conducted in order to determine its usefulness for urban land-use classification. Aircraft 24-channel multispectral scanner imagery of the Los Angeles area at 7.5-m resolution was processed digitally by means of matrix averaging and image smoothing techniques to simulate the 30-m resolution of the thematic mapper. Mean and standard deviation statistics of training sites for resolutions of 7.5, 15, 30 and 60 m were used to generate final classification maps. Plots of relative standard deviation showed that for larger training sites, as the resolution decreased, the distribution range of density values also decreased, while plots of relative classification accuracies showed that as resolution decreased, classification accuracies for three levels of standard deviation increased. A point of diminishing returns was indicated, however, confirming the utility of the resolution intended for Landsat-D.

Clark, J.↗

NASA NTRS2009

The Principle of Energetic Consistency

A basic result in estimation theory is that the minimum variance estimate of the dynamical state, given the observations, is the conditional mean estimate. This result holds independently of the specifics of any dynamical or observation nonlinearity or stochasticity, requiring only that the probability density function of the state, conditioned on the observations, has two moments. For nonlinear dynamics that conserve a total energy, this general result implies the principle of energetic consistency: if the dynamical variables are taken to be the natural energy variables, then the sum of the total energy of the conditional mean and the trace of the conditional covariance matrix (the total variance) is constant between observations. Ensemble Kalman filtering methods are designed to approximate the evolution of the conditional mean and covariance matrix. For them the principle of energetic consistency holds independently of ensemble size, even with covariance localization. However, full Kalman filter experiments with advection dynamics have shown that a small amount of numerical dissipation can cause a large, state-dependent loss of total variance, to the detriment of filter performance. The principle of energetic consistency offers a simple way to test whether this spurious loss of variance limits ensemble filter performance in full-blown applications. The classical second-moment closure (third-moment discard) equations also satisfy the principle of energetic consistency, independently of the rank of the conditional covariance matrix. Low-rank approximation of these equations offers an energetically consistent, computationally viable alternative to ensemble filtering. Current formulations of long-window, weak-constraint, four-dimensional variational methods are designed to approximate the conditional mode rather than the conditional mean. Thus they neglect the nonlinear bias term in the second-moment closure equation for the conditional mean. The principle of energetic consistency implies that, to precisely the extent that growing modes are important in data assimilation, this term is also important.

Cohn, Stephen E.↗

DOE OSTI2022

Modeling and Analysis of a Polyphase Wireless Power Transfer System for EV Charging Applications

Extreme fast charging is an emerging technology targeting to significantly decrease charging times of electric vehicles to 10–20 minutes, similar to an interstate gas refueling practice. High-power wireless power transfer (WPT) systems with polyphase electromagnetic couplers can be an attractive solution for these applications due to the very high surface power density of polyphase coils with reduced ripple current characteristics on both the primary and secondary sides that result in more compact designs with reduced dc bus bar capacitor requirements. In addition, WPT systems offer automated charging process, which can be an enabling technology for connected and automated vehicles, with high-efficiency, convenience, safety, and flexibility. This study presents a matrix representation of a mathematical model for a three-phase WPT system with series-series connected three-phase resonant compensation networks. Nonzero interphase mutual inductances between the same side phase windings are considered for tuning to obtain a circuit model for parametric sensitivity. Simulation and experimental results presented for a 50-kW experimental prototype to demonstrate the operation of the polyphase WPT system.

Zeng, Rong↗

DOE OSTI2022

Overview of Base Model in Parametric Studies Specific to Performance of U-Mo Plates

This paper provides an overview of the base model specifically developed to perform parametric sensitivity studies on the U-10Mo monolithic fuel system. U-Mo monolithic fuels are being considered for the conversion of test reactors into high-performance research reactors that operate using proliferation-resistant, low-enriched uranium (LEU) fuels. These plate-type fuels contain a high-density, low-enrichment fuel sandwiched between zirconium diffusion barriers and encapsulated in aluminum claddings. All U.S. high-performance research reactors have released the designs of their LEU monolithic fuel reactor cores. These designs include nearly 50 distinct fuel plate geometries with different operational parameters. Consequently, a single generic plate geometry representing all the extreme points in this design matrix is unrealistic. To evaluate the performance for various parameters, a set of sensitivity studies was performed. These studies considered various input parameters (i.e., geometric, operational, and material property-related). The results revealed valuable information about plate performance and the sensitivity of this performance to various modeling inputs. To establish a reference state for comparing these result, base model featuring representative irradiation conditions was developed. To capture in-reactor behavior accurately, incorporation of representative constitutive models capable of evolving properties with respect to temperature, irradiation time, and burnup was needed. The behavioral models considered burnup-dependent properties, swelling, creep, and degradation. This paper introduces the base model created for the parametric sensitivity studies. The detailed description of the procedure includes the model geometry, model discretization, thermo-mechanical coupling, material properties and behavioral models. This paper also provides selected results and assesses the performance of the base model.

42 ENGINEERING↗