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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Influence of Constituents on Creep Properties of SiC/SiC Composites

SiC-SiC composites are being considered as potential candidate materials for next generation turbine components such as combustor liners, nozzle vanes and blades because of their low density, high temperature capability, and tailorable mechanical properties. These composites are essentially fabricated by infiltrating matrix into a stacked array of fibers or fiber preform by one or a combination of manufacturing methods such as, Melt Infiltration (MI) of molten silicon metal, Chemical Vapor Infiltration (CVI), Polymer Infiltration and Pyrolysis (PIP). To understand the influence of constituents, the SiC-SiC composites fabricated by MI, CVI, and PIP methods were creep tested in air between 12000 and 14500 degrees Centigrade for up to 500 hours. The failed specimens were analyzed under a scanning electron microscope to assess damage mechanisms. Also, knowing the creep deformation parameters of the fiber and the matrix under the testing conditions, the creep behavior of the composites was modeled and compared with the measured data. The implications of the results on the long term durability of these composites will be discussed.

modeling↗
NASA NTRS1988

Electron density-sensitive line ratios for Fe XII in the solar corona

The collision strengths for electron-impact excitation of fine-structure transitions from the ground 3s23p3 configuration to the excited 3s3p4 configuration in Fe XII are presented. These are calculated by transforming the K-matrices obtained in a nonrelativistic R-matrix method to K-matrices in intermediate coupling using term-coupling coefficients which take into account the effect of breakdown of target LS coupling. Extensive configuration-interaction wave functions are used to represent the target states. The effective collision strengths are determined assuming a Maxwellian distribution of electron energies. Rydberg series of resonances converging to the excited state thresholds are explicitly included in the calculation. The relative level populations and emission-line strengths for Fe XII are calculated using the new atomic data presented in this paper and that published by Tayal, Henry, and Pradhan (1987) and Tayal and Henry (1986) over a wide range of electron densities and temperatures (1-2 x 10 to the 6th K). Present results for collision strengths and emission-line strengths are compared with the previous calculation of Flower (1977). Some significant differences are noted.

Tayal, S. S.↗
NASA NTRS1972

Lumped parameter analysis of a stringer reinforced plate excited by band limited noise

The maximum root-mean-square response of a square clamped plate, subjected to a stationary random excitation, was determined both theoretically and empirically. For the tests, a 40 x 40 x 1/4 aluminum sheet was milled out to provide a thin waffle plate with 9 panels. The plate was acoustically excited, with the frequency range limited between 25 Hz and 500 Hz. The root-mean-square power of the random excitations, 149 decibels, was nearly constant for all natural frequencies of the plate system. Strain gage readings at 14 points were plotted as power spectral densities and root-mean-square displacements. A modal damping ratio matrix was determined from the response curves. Damping ratios were found to be a function of frequency, but not of location on the plate. For comparisons with the theoretical response, the plate was subdivided into 14 modes and anlayzed as a damped, lumped parameter system by use of an approximate normal-mode method. This method gave the best predictions of the power spectral densities for the lower frequencies. That prediction errors increased for the higher frequencies is attributed to improper assumptions for mass distribution and the insufficient number of lumped mass points.

Bilyeu, D. J.↗
DOE OSTI2018

Tailorable Optical Response of Au-LiNbO 3 Hybrid Metamaterial Thin Films for Optical Waveguide Applications

Photonic integrated circuits require various optical materials with versatile optical properties and easy on–chip device integration. To address such needs, a well–designed nanoscale metal–oxide metamaterial, that is, plasmonic Au nanoparticles embedded in nonlinear LiNbO 3 (LNO) matrix, is demonstrated with tailorable optical response. Specifically, epitaxial and single–domain LNO thin films with tailored Au nanoparticle morphologies (i.e., various nanoparticle sizes and densities), are grown by a pulsed laser deposition method. The optical measurement presents obvious surface plasmon resonance and dramatically varied complex dielectric function because of the embedded Au nanoparticles, and its response can be well tailored by varying the size and density of Au nanoparticles. An optical waveguide structure based on the thin film stacks of a–Si on SiO 2 /Au–LNO is fabricated and exhibits low optical dispersion with an optimized evanescent field staying in the LNO–Au active layer. Furthermore, the hybrid Au–LNO metamaterial thin films provide a novel platform for tunable optical materials and their future on–chip integrations in photonic–based integrated circuits.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Optical Properties of Neutral F Centers in Bulk MgO with Density Matrix Embedding

The optical spectra of neutral oxygen vacancies (F 0 centers) in the bulk MgO lattice are investigated using density matrix embedding theory. The impurity Hamiltonian is solved with the complete active space self-consistent field and second-order n-electron valence state perturbation theory (NEVPT2-DMET) multireference methods. Here, to estimate defect-localized vertical excitation energies at the nonembedding and thermodynamic limits, a double extrapolation scheme is employed. The extrapolated NEVPT2-DMET vertical excitation energy value of 5.24 eV agrees well with the experimental absorption maxima at 5.03 eV, whereas the excitation energy value of 2.89 eV at the relaxed triplet defect-localized state geometry overestimates the experimental emission at 2.4 eV by only nearly 0.5 eV, indicating the involvement of the triplet–singlet decay pathway.

embedding↗
DOE OSTI2014

Non-stochastic matrix Schrödinger equation for open systems

We propose an extension of the Schrödinger equation for a quantum system interacting with environment. This extension describes dynamics of a collection of auxiliary wavefunctions organized as a matrix m, from which the system density matrix can be reconstructed as ρ{sup ^}=mm{sup †}. We formulate a compatibility condition, which ensures that the reconstructed density satisfies a given quantum master equation for the system density. The resulting non-stochastic evolution equation preserves positive-definiteness of the system density and is applicable to both Markovian and non-Markovian system-bath treatments. Our formalism also resolves a long-standing problem of energy loss in the time-dependent variational principle applied to mixed states of closed systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

The identification of filaments on far-infrared and submillimiter images: Morphology, physical conditions and relation with star formation of filamentary structure

Observations of molecular clouds reveal a complex structure, with gas and dust often arranged in filamentary, rather than spherical geometries. The association of pre- and proto-stellar cores with the filaments suggests a direct link with the process of star formation. Any study of the properties of such filaments requires representative samples from different environments for an unbiased detection method. We developed such an approach using the Hessian matrix of a surface-brightness distribution to identify filaments and determine their physical and morphological properties. After testing the method on simulated, but realistic, filaments, we apply the algorithms to column-density maps computed from Herschel observations of the Galactic plane obtained by the Hi-GAL project. We identified ∼500 filaments, in the longitude range of l = 216.°5 to l = 225.°5, with lengths from ∼1 pc up to ∼30 pc and widths between 0.1 pc and 2.5 pc. Average column densities are between 10{sup 20} cm{sup –2} and 10{sup 22} cm{sup –2}. Filaments include the majority of dense material with N{sub H{sub 2}} > 6 × 10{sup 21} cm{sup –2}. We find that the pre- and proto-stellar compact sources already identified in the same region are mostly associated with filaments. However, surface densities in excess of the expected critical values for high-mass star formation are only found on the filaments, indicating that these structures are necessary to channel material into the clumps. Furthermore, we analyze the gravitational stability of filaments and discuss their relationship with star formation.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

Analysis of shape of porous cooled medium for an imposed surface heat flux and temperature

The surface of a porous cooled medium is to be maintained at a specified design temperature while being subjected to uniform heating by an external source. An analytical method is given for determining the shape of the medium surface that will satisfy these boundary conditions. The analysis accounts for temperature dependent variations of fluid density and viscosity and for temperature dependent matrix thermal conductivity. The energy equation is combined with Darcy's law in such a way that a potential can be defined that satisfies Laplace's equation. All of the heat-transfer and flow quantities are expressed in terms of this potential. The determination of the shape of the porous cooled region is thereby reduced to a free-boundary problem such as in inviscid free jet theory. Two illustrative examples are carried out: a porous leading edge with coolant supplied through a slot and a porous cooled duct with a rectangular outer boundary.

Siegel, R.↗
NASA NTRS1984

Hygrothermal effects on mechanical behavior of graphite/epoxy laminates beyond initial failure

An investigation was conducted to determine the critical load levels and associated cracking beyond which a multidirectional laminate can be considered as structurally failed. Graphite/epoxy laminates were loaded to different strain levels up to ultimate failure. Transverse matrix cracking was monitored by acoustic and optical methods. Residual stiffness and strength that were parallel and perpendicular to the cracks were determined and related to the environmental/loading history. Results indicate that cracking density in the transverse layers has no major effect on laminate residual properties as long as the angle ply layers retain their structural integrity. Exposure to hot water revealed that cracking had only a small effect on absorption and reduced swelling when these specimens were compared with uncracked specimens. Cracked, moist specimens showed a moderate reduction in strength when compared with their uncracked counterparts. Within the range of environmental/loading conditions of the present study, it is concluded that the transverse cracking process is not crucial in its effect on the structural performance of multidirectional composite laminates.

Ishai, O.↗
NASA NTRS2009

NASA Tech Briefs, November 2009

Topics covered include: Cryogenic Chamber for Servo-Hydraulic Materials Testing; Apparatus Measures Thermal Conductance Through a Thin Sample from Cryogenic to Room Temperature; Rover Attitude and Pointing System Simulation Testbed; Desktop Application Program to Simulate Cargo-Air-Drop Tests; Multimodal Friction Ignition Tester; Small-Bolt Torque-Tension Tester; Integrated Spacesuit Audio System Enhances Speech Quality and Reduces Noise; Hardware Implementation of a Bilateral Subtraction Filter; Simple Optoelectronic Feedback in Microwave Oscillators; Small X-Band Oscillator Antennas; Free-Space Optical Interconnect Employing VCSEL Diodes; Discrete Fourier Transform Analysis in a Complex Vector Space; Miniature Scroll Pumps Fabricated by LIGA; Self-Assembling, Flexible, Pre-Ceramic Composite Preforms; Flight-speed Integral Image Analysis Toolkit; Work Coordination Engine; Multi-Mission Automated Task Invocation Subsystem; Autonomously Calibrating a Quadrupole Mass Spectrometer; Determining Spacecraft Reaction Wheel Friction Parameters; Composite Silica Aerogels Opacified with Titania; Multiplexed Colorimetric Solid-Phase Extraction; Detecting Airborne Mercury by Use of Polymer/Carbon Films; Lattice-Matched Semiconductor Layers on Single Crystalline Sapphire Substrate; Pressure-Energized Seal Rings to Better Withstand Flows; Rollerjaw Rock Crusher; Microwave Sterilization and Depyrogenation System; Quantifying Therapeutic and Diagnostic Efficacy in 2D Microvascular Images; NiF2/NaF:CaF2/Ca Solid-State High-Temperature Battery Cells; Critical Coupling Between Optical Fibers and WGM Resonators; Microwave Temperature Profiler Mounted in a Standard Airborne Research Canister; Alternative Determination of Density of the Titan Atmosphere; Solar Rejection Filter for Large Telescopes; Automated CFD for Generation of Airfoil Performance Tables; Progressive Classification Using Support Vector Machines; Active Learning with Irrelevant Examples; A Data Matrix Method for Improving the Quantification of Element Percentages of SEM/EDX Analysis; Deployable Shroud for the International X-Ray Observatory; Improved Model of a Mercury Ring Damper; Optoelectronic pH Meter: Further Details; X-38 Advanced Sublimator; and Solar Simulator Represents the Mars Surface Solar Environment.

Source record↗
NASA NTRS2017

Modeling of Electromagnetic Scattering by Discrete and Discretely Heterogeneous Random Media by Using Numerically Exact Solutions of the Maxwell Equations

In this paper, we discuss some aspects of numerical modeling of electromagnetic scattering by discrete random medium by using numerically exact solutions of the macroscopic Maxwell equations. Typical examples of such media are clouds of interstellar dust, clouds of interplanetary dust in the Solar system, dusty atmospheres of comets, particulate planetary rings, clouds in planetary atmospheres, aerosol particles with numerous inclusions and so on. Our study is based on the results of extensive computations of different characteristics of electromagnetic scattering obtained by using the superposition T-matrix method which represents a direct computer solver of the macroscopic Maxwell equations for an arbitrary multisphere configuration. As a result, in particular, we clarify the range of applicability of the low-density theories of radiative transfer and coherent backscattering as well as of widely used effective-medium approximations.

Dlugach, Janna M.↗
NASA NTRS2003

Analytical Failure Prediction Method Developed for Woven and Braided Composites

Historically, advances in aerospace engine performance and durability have been linked to improvements in materials. Recent developments in ceramic matrix composites (CMCs) have led to increased interest in CMCs to achieve revolutionary gains in engine performance. The use of CMCs promises many advantages for advanced turbomachinery engine development and may be especially beneficial for aerospace engines. The most beneficial aspects of CMC material may be its ability to maintain its strength to over 2500 F, its internal material damping, and its relatively low density. Ceramic matrix composites reinforced with two-dimensional woven and braided fabric preforms are being considered for NASA s next-generation reusable rocket turbomachinery applications (for example, see the preceding figure). However, the architecture of a textile composite is complex, and therefore, the parameters controlling its strength properties are numerous. This necessitates the development of engineering approaches that combine analytical methods with limited testing to provide effective, validated design analyses for the textile composite structures development.

Min, James B.↗
DOE OSTI2019

25 Years of Organic Electro-Optics and Future Prospects

Multi-scale modeling methods are employed to assist in the design of improved organic electro-optic (OEO) materials, including simulating the effects of the interaction of such materials with the electrodes of silicon organic hybrid (SOH) and plasmonic organic hybrid (POH) nanoscopic waveguide devices. Theoretical methods have promoted the evolution of OEO materials from low number density chromophore-polymer guest-host composites and chromophores covalently attached to traditional polymer matrices to custom designed high chromophore number density macromolecular materials with controlled intermolecular interactions and reduced matrix dimensionality. New OEO materials exhibit electrooptic activity of 500-600 pm/V in electrically-poled μm thick films and 90-350 pm/V in nm thick films in SOH and POH devices. The improvement in EO activity together with concentration of RF and optical fields in SOH and POH devices has resulted in a substantial improvement in device performance, including reducing voltage-length performance to 40 V-μm, energy efficiency on the order of a femtojoule/bit, device footprints on the order of 1 μm 2 and bandwidths of > 170 GHz for POH devices. Furthermore significant advances with respect to device insertion loss have also been achieved.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Quantification of Porosity in Ceramic Matrix Composites Using Thermography

Thermography is one of the Non-Destructive Evaluation methods used to qualitatively estimate the amount of porosity in as-manufactured ceramic matrix composite (CMC) parts. Through-transmission (TT) thermography allows for comparison of thermal diffusivity caused by differences in material density and porosity at different locations in the part. In this study, volume fraction of pores and its distribution in CMC samples containing different amounts of porosity was quantified using optical microscopy and X-ray computed tomography scans. TT thermography was done on the same specimens and images were analyzed to determine the distribution of thermal diffusivity. Comparison of porosity measurements and thermal diffusivity images shows an inverse correlation. A simple two-phase analytical model describing this relationship is derived for composites and its solution is shown to compare favorably with experimental data. In the absence of porosity data, the model can be used to estimate porosity directly from thermal diffusivity data.

36 MATERIALS SCIENCE↗
DOE OSTI2024

GPU-Accelerated Solution of the Bethe–Salpeter Equation for Large and Heterogeneous Systems

We present a massively parallel GPU-accelerated implementation of the Bethe–Salpeter equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical absorption spectra of condensed and molecular systems, starting from single-particle eigenvalues and eigenvectors obtained with density functional theory. The algorithms adopted here circumvent the slowly converging sums over empty and occupied states and the inversion of large dielectric matrices through a density matrix perturbation theory approach and a low-rank decomposition of the screened Coulomb interaction, respectively. Further computational savings are achieved by exploiting the nearsightedness of the density matrix of semiconductors and insulators to reduce the number of screened Coulomb integrals. We scale our calculations to thousands of GPUs with a hierarchical loop and data distribution strategy. The efficacy of our method is demonstrated by computing the VEEs of several spin defects in wide-band-gap materials, showing that supercells with up to 1000 atoms are necessary to obtain converged results. We discuss the validity of the common approximation that solves the BSE with truncated sums over empty and occupied states. In conclusion, we then apply our GW-BSE implementation to a diamond lattice with 1727 atoms to study the symmetry breaking of triplet states caused by the interaction of a point defect with an extended line defect.

Absorption spectra↗
DOE OSTI2021

Single-Step Direct Laser Writing of Multimetal Oxygen Evolution Catalysts from Liquid Precursors

We investigate a laser direct-write method to synthesize and deposit metastable, mixed transition metal oxides and evaluate their performance as oxygen evolution reaction catalysts. This laser processing method enabled the rapid synthesis of diverse heterogeneous alloy and oxide catalysts directly from cost-effective solution precursors, including catalysts with a high density of nanocrystalline metal alloy inclusions within an amorphous oxide matrix. The nanoscale heterogenous structures of the synthesized catalysts were consistent with reactive force-field Monte Carlo calculations. By evaluating the impact of varying transition metal oxide composition ratios, we created a stable Fe 0.63 Co 0.19 Ni 0.18 O x /C catalyst with a Tafel slope of 38.23 mV dec -1 and overpotential of 247 mV, a performance similar to that of IrO 2 . Synthesized Fe 0.63 Co 0.19 Ni 0.18 O x /C and Fe 0.14 Co 0.46 Ni 0.40 O x /C catalysts were experimentally compared in terms of catalytic performance and structural characteristics to determine that higher iron content and a less crystalline structure in the secondary matrix decreases the charge transfer resistance and thus is beneficial for electrocatalytic activity. Furthermore, this conclusion is supported by density-functional theory calculations showing distorted active sites in ternary metal catalysts are key for lowering overpotentials for the oxygen evolution reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Chiral spin liquid and quantum phase transition in the triangular-lattice Hofstadter-Hubbard model

Recent advances in moiré engineering motivate the study of lattice models of strongly correlated electrons subjected to substantial orbital magnetic flux. We analyze the triangular-lattice Hofstadter-Hubbard model at one-quarter flux quantum per plaquette and a density of one electron per site, where a chiral spin liquid phase may exist between weak-coupling integer quantum Hall and strong-coupling 120° antiferromagnetic phases. Here, we use matrix product state methods and analytical arguments to investigate this model compactified to cylinders of finite circumference. We uncover a glide particle-hole symmetry operation which, we argue, is spontaneously broken at the quantum Hall to spin liquid transition on odd-circumference cylinders. We numerically verify the spontaneous symmetry breaking and further demonstrate that this transition is associated with algebraic long-range correlations of various spin-singlet, charge-neutral operators. For even-circumference cylinders, the transition becomes a crossover associated with a large correlation length that grows substantially with circumference. Our findings suggest that in the two-dimensional limit, the transition to a chiral spin liquid phase is continuous and features critical fluctuations of the current.

Divic, Stefan [University of Pennsylvania, Philade↗
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)↗