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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

A Higher-Order Space-Time Finite-Element Method for Moving-Body and Fluid-Structure Interaction Problems

We present a high-order finite-element method for moving body and fluid/structure interaction problems. Our solution strategy is based on a space-time discontinuous Galerkin (DG) spectral-element discretization which extends to arbitrary order of accuracy. The space-time DG discretization is a natural choice for moving body and fluid-structure interaction problems as moving surfaces are incorporated simply by considering curved space-time elements whose space-time faces align with the moving body. We present a discontinuous-Galerkin in time discretization for six-degree of motion modeling of rigid bodies, and a continuous-Galerkin discretization for equations of linear elasticity to generate curved space-time meshes. Numerical results for several simple 2D test cases are presented in order to verify the implementation of the different models. Finally we present a preliminary dynamic simulation of a parachute.

High-Order↗
DOE OSTI2015

Crystal structure optimisation using an auxiliary equation of state

Standard procedures for local crystal-structure optimisation involve numerous energy and force calculations. It is common to calculate an energy–volume curve, fitting an equation of state around the equilibrium cell volume. This is a computationally intensive process, in particular, for low-symmetry crystal structures where each isochoric optimisation involves energy minimisation over many degrees of freedom. Such procedures can be prohibitive for non-local exchange-correlation functionals or other “beyond” density functional theory electronic structure techniques, particularly where analytical gradients are not available. We present a simple approach for efficient optimisation of crystal structures based on a known equation of state. The equilibrium volume can be predicted from one single-point calculation and refined with successive calculations if required. The approach is validated for PbS, PbTe, ZnS, and ZnTe using nine density functionals and applied to the quaternary semiconductor Cu{sub 2}ZnSnS{sub 4} and the magnetic metal-organic framework HKUST-1.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Early-time Light Curves of Type Ia Supernovae Observed with TESS

We present the early-time light curves of Type Ia supernovae (SNe Ia) observed in the first six sectors of Transiting Exoplanet Survey Satellite (TESS) data. Ten of these SNe were discovered by ASAS-SN, seven by ATLAS, six by ZTF, and one by Gaia. For nine of these objects with sufficient dynamic range (>3.0 mag from detection to peak), we fit power-law models and searched for signatures of companion stars. We found a diversity of early-time light-curve shapes, although most of our sources are consistent with fireball models where the flux increases as ∝t 2 . Three SNe displayed a flatter rise with flux ∝t. We did not find any obvious evidence for additional structures, such as multiple power-law components, in the early rising light curves. For assumptions about the SN properties and the observer viewing angle (ejecta mass of 1.4 M⊙, expansion velocity of 10 4 km s –1 , opacity of 0.2 cm 2 g –1 , and viewing angle of 45°) and a further assumption that any companion stars would be in Roche lobe overflow, it is possible to place upper limits on the radii of any companion stars. Six of the nine SNe had complete coverage of the early-time light curves, and we placed upper limits on the radii of companion stars of ≲32 R ⊙ for these SNe, ≲20 R ⊙ for five of the six, and ≲4 R ⊙ for two of the six. The small sample size did not allow us to put limits on the occurrence rate of companion stars in the progenitors of SNe Ia. However, we expect that TESS observed enough SNe in its two-year primary mission (26 sectors) to either detect the signature of a large companion (R > 20 R ⊙ ) or constrain the occurrence rate of such systems, at least for the fiducial SN properties adopted here. Here, we also show that TESS is capable of detecting emission from a 1 R ⊙ companion for an SN Ia within 50 Mpc and has a reasonable chance of doing so after about six years.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Theory and Simulation of Metal–Insulator–Semiconductor (MIS) Photoelectrodes

A metal–insulator–semiconductor (MIS) structure is an attractive photoelectrode-catalyst architecture for promoting photoelectrochemical reactions, such as the formation of H 2 by proton reduction. The metal catalyzes the generation of H 2 using electrons generated by photon absorption and charge separation in the semiconductor. The insulator layer between the metal and the semiconductor protects the latter element from photo-corrosion and, also, significantly impacts the photovoltage at the metal surface. Understanding how the insulator layer determines the photovoltage and what properties lead to high photovoltages is critical to the development of MIS structures for solar-to-chemical energy conversion. Herein, we present a continuum model for charge-carrier transport from the semiconductor to the metal with an emphasis on mechanisms of charge transport across the insulator. The polarization curves and photovoltages predicted by this model for a Pt/HfO 2 /p-Si MIS structure at different HfO 2 thicknesses agree well with experimentally measured data. The simulations reveal how insulator properties (i.e., thickness and band structure) affect band bending near the semiconductor/insulator interface and how tuning them can lead to operation closer to the maximally attainable photovoltage, the flat-band potential. This phenomenon is understood by considering the change in tunneling resistance with insulator properties. The model shows that the best MIS performance is attained with highly symmetric semiconductor/insulator band offsets (e.g., BeO, MgO, SiO 2 , HfO 2 , or ZrO 2 deposited on Si) and a low to moderate insulator thickness (e.g., between 0.8 and 1.5 nm). Beyond 1.5 nm, the density of filled interfacial trap sites is high and significantly limits the photovoltage and the solar-to-chemical conversion rate. These conclusions are true for photocathodes and photoanodes. This understanding provides critical insight into the phenomena enhancing and limiting photoelectrode performance and how this phenomenon is influenced by insulator properties. The study gives guidance toward the development of next-generation insulators for MIS structures that achieve high performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Material Property Estimation in Thin Battery Components Using Guided Wave Measurement, Experimental Dispersion Curve Extraction and Finite Element Modeling

At NASA, we are investigating nondestructive evaluation (NDE) and structural health monitoring (SHM) techniques to detect precursors of thermal runaway failure in lithium metal based lithium ion batteries (LIB). The approach is centered on computational simulation models to guide inspection and aid in interpretation of results. Since lithium metal LIBs have combinations of solid and fluid-filled porous materials, obtaining accurate material properties is both challenging and critical for successful simulation of battery inspection. To this end, we investigated a multi-verification approach for material characterization of thin battery components. First, a laser Doppler vibrometer (LDV) was used to measure guided wave fields in thin (microns-thick) battery components subject to broadband excitation. The time-space wavefield data was converted to frequency-wave number data to extract guided wave dispersion curves. A data visualization and post processing graphics user interface (GUI) was developed at NASA to aid the data exploration and analysis. Due to the thinness of the samples, low frequency-thickness-product plate wave approximations allowed for the calculation of closed-form solutions for material elastic property estimation. These approximations were then verified by calculating the Lamb wave solutions using the previously obtained material properties. Finally, the estimated elastic material properties were implemented in a COMSOL simulation model, and dispersion curves were extracted from simulation results. The dispersion curves and derived material properties were then compared to the analysis results from the experimental data. These comparisons informed on the accuracy of the measured material properties and helped demonstrate the accuracy of the finite element analysis (FEA) computational models. This assessment will prove vital when we start simulating more complex multi-layer components and poroelastic media. This paper gives a brief background of the problem space, outlines the workflow for data analysis and verification, shows results from the workflow, and gives an overview of future plans for simulation of lithium metal LIB inspection.

Peter Juarez↗
NASA NTRS1990

The effects of nonequilibrium ionization on the radiative losses of the solar corona

The emissivity of the ions of carbon and oxygen has been recalculated for a set of solar coronal loop models with a steady state siphon flow. The ion densities were calculated from the plasma velocities, temperatures, and densities of the models, and large departures from equilibrium were found. For purposes of comparison, the emissivity was calculated with and without the approximation of ionization equilibrium. Considerable differences in the radiative loss function Lambda(T) curve between equilibrium and nonequilibrium conditions were found. The nonequilibrium Lambda(T) function was then used to solve again the steady state flow equations of the loop models. The differences in the structure of these models with respect to the models calculated adopting the Lambda(T) curve in equilibrium are discussed.

Spadaro, D.↗
NASA NTRS1990

Concepts and analysis for precision segmented reflector and feed support structures

Several issues surrounding the design of a large (20-meter diameter) Precision Segmented Reflector are investigated. The concerns include development of a reflector support truss geometry that will permit deployment into the required doubly-curved shape without significant member strains. For deployable and erectable reflector support trusses, the reduction of structural redundancy was analyzed to achieve reduced weight and complexity for the designs. The stiffness and accuracy of such reduced member trusses, however, were found to be affected to a degree that is unexpected. The Precision Segmented Reflector designs were developed with performance requirements that represent the Reflector application. A novel deployable sunshade concept was developed, and a detailed parametric study of various feed support structural concepts was performed. The results of the detailed study reveal what may be the most desirable feed support structure geometry for Precision Segmented Reflector/Large Deployable Reflector applications.

Miller, Richard K.↗
NASA NTRS1976

Gravity and crustal structure

Lunar gravitational properties were analyzed along with the development of flat moon and curved moon computer models. Gravity anomalies and mascons were given particular attention. Geophysical and geological considerations were included, and comparisons were made between the gravitional fields of the Earth, Mars, and the Moon.

Bowin, C. O.↗
NASA NTRS1973

Is nuclear matter a quantum crystal?

A possible alternative to the ordinary gas-like computation for nuclear matter is investigated under the assumption that the nucleons are arranged in a lattice. BCC, FCC and HCP structures are investigated. Only HCP shows a minimum in the energy vs. density curve with a modest binding energy of -1.5 MeV. The very low density limit is investigated and sensible results are obtained only if the tensor force decreases with the density. A study of the elastic properties indicates that the previous structures are mechanically unstable against shearing stresses.

Canuto, V.↗
DOE OSTI2016

Investigation of discrete states and quasidiscrete structures observed in 150 Sm and 152 Sm using the (p, tγ) reaction

New levels and γ-ray transitions were identified in 150,152 Sm utilizing the (p,t) reaction and particle-γ coincidence data. A large, peak-like structure observed between 2.3–3.0 MeV in excitation energy in the triton energy spectra was also investigated. The orbital angular-momentum transfer was probed by comparing the experimental angular distributions of the outgoing tritons to calculated distorted wave Born approximation curves. The angular distributions of the outgoing tritons populating the peak-like structure are remarkably similar in the two reactions and are significantly different from the angular distributions associated with the nearby continuum region. Relative partial cross sections for the observed levels, angle averaged between 34 and 58 degrees, were measured. In 150 Sm, 39(4)% of the strength of the peak-like structure could be accounted for by the observed discrete states. This compares with a value of 93(15)% for 152 Sm

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Using Flory–Huggins-informed human-in-the-loop Bayesian optimization to map the phase diagram of polymer blends

Mapping the phase diagram of polymer blends is an essential step in controlling the structure–property relationship of polymer-based materials. However, traditional grid-based approaches are inefficient and rely on subjective judgements for terminating the experimental campaign. Artificial intelligence-guided experimentation offers a compelling alternative, especially when data-driven decision-making is interfaced with established polymer thermodynamics to improve efficiency and interpretability. Here, we introduce a physics-informed Bayesian optimization approach to guide the mapping of the phase diagram of a model blend containing poly(methyl methacrylate) and poly(styrene-ran-acrylonitrile). Physical information is derived from a Flory–Huggins representation of the spinodal curve, which is integrated into the Bayesian optimization process as a structured prior mean that acts as a soft constraint. Implemented as a human-in-the-loop workflow, the approach leverages optical imaging of film cloudiness with iterative Gaussian process surrogate modeling and a parameter selection decision policy to identify the composition-temperature conditions for sequential iterations. Convergence of kernel and Flory–Huggins-based hyperparameters provided a stopping criterion, ensuring an objective and interpretable termination of the experimental campaign. The framework recovered the known lower critical solution temperature (∼160 °C), while increasing material efficiency through targeted sampling. This work establishes a proof-of-concept for the application of Bayesian optimization workflows to study polymer blend miscibility.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Estimating the R-curve from residual strength data

A method is presented for estimating the crack-extension resistance curve (R-curve) from residual-strength (maximum load against original crack length) data for precracked fracture specimens. The method allows additional information to be inferred from simple test results, and that information can be used to estimate the failure loads of more complicated structures of the same material and thickness. The fundamentals of the R-curve concept are reviewed first. Then the analytical basis for the estimation method is presented. The estimation method has been verified in two ways. Data from the literature (involving several materials and different types of specimens) are used to show that the estimated R-curve is in good agreement with the measured R-curve. A recent predictive blind round-robin program offers a more crucial test. When the actual failure loads are disclosed, the predictions are found to be in good agreement.

Orange, T. W.↗
DOE OSTI2015

Effect of atomic-arrangement matching on La{sub 2}O{sub 3}/Ge heterostructures for epitaxial high-k-gate-stacks

We demonstrate a high-quality La{sub 2}O{sub 3} layer on germanium (Ge) as an epitaxial high-k-gate-insulator, where there is an atomic-arrangement matching condition between La{sub 2}O{sub 3}(001) and Ge(111). Structural analyses reveal that (001)-oriented La{sub 2}O{sub 3} layers were grown epitaxially only when we used Ge(111) despite low growth temperatures less than 300 °C. The permittivity (k) of the La{sub 2}O{sub 3} layer is roughly estimated to be ∼19 from capacitance-voltage (C-V) analyses in Au/La{sub 2}O{sub 3}/Ge structures after post-metallization-annealing treatments, although the C-V curve indicates the presence of carrier traps near the interface. By using X-ray photoelectron spectroscopy analyses, we find that only Ge–O–La bonds are formed at the interface, and the thickness of the equivalent interfacial Ge oxide layer is much smaller than that of GeO{sub 2} monolayer. We discuss a model of the interfacial structure between La{sub 2}O{sub 3} and Ge(111) and comment on the C-V characteristics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Null geodesics and thermodynamic phase transition of four-dimensional Gauss–Bonnet AdS black hole

Highlights: • Modified gravity theories. • Null geodesics and the thermodynamic phase transition. • Four-dimensional Gauss–Bonnet AdS black hole. • Correlation between gravity and thermodynamics. Modified gravity theories are of great interest in both observational and theoretical studies. In this article, we study the correlation between the null geodesics and the thermodynamic phase transition of a four-dimensional Gauss–Bonnet AdS black hole. Firstly, we study the phase structure of the black hole, using the coexistence and spinodal curves, to understand the phase transition in an extended phase space. The imprints of these phase transition features can be clearly observed from the functional dependence of photon orbit radius and minimum impact parameter with respect to the Hawking temperature and pressure. The change in these two quantities during the phase transition serve as order parameters which characterise the critical behaviour. The correlation shows that thermodynamic phase transition can be studied by observing the effects of strong gravitational field on the photon orbit and vice versa.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Optical Properties of InGaAs/InAlAs Metamorphic Nanoheterostructures for Photovoltaic Converters of Laser and Solar Radiation

Reflectance spectroscopy has been used to determine the refractive indices of nanoscale In{sub x}Al{sub y}Ga{sub 1–x–y}As and In{sub x}Al{sub 1–x}As layers with indium and aluminum concentrations x = 0.21–0.24 and y = 0, 0.1, and 0.2 on specially created Bragg-reflector heterostructures at wavelengths in the range 700–2000 nm. It was demonstrated that the method based on an analysis of the auto- and cross-correlation coefficients of the wavelength derivatives of the dependence of the reflectance of structures of this kind in order to determine the dispersion curves of the materials forming a reflector. It was found that raising the concentration of indium in InGaAs and AlInAs leads to a substantial rise in the refractive index, with a preserved spectral run of the refractive indices, which is characteristic of gallium arsenide and aluminum arsenide.

14 SOLAR ENERGY↗
DOE OSTI2019

Development of New Directions in Axion Dark Matter Searches

The bright objects we observe in the night sky make up less than 20% of the matter in the Universe. More than 80% of matter is invisible dark matter [1], which was postulated because the amount of visible matter in galaxy clusters could not account for the galaxies’ velocities [2]. Observations from cosmology and astrophysics that converge on the existence of dark matter include the cosmic microwave background power spectrum [3], cluster and galactic rotation curves [2], gravitational lensing [4,5] and large-scale structure formation [6]. The existence of dark matter is one of the biggest unsolved mysteries in physics, providing concrete evident for physics beyond the Standard Model (SM) of particle physics. Many particle candidates have been introduced, including weakly interacting massive particles (WIMPs) and ultralight bosons, such as the axion [7]. No candidates have been discovered, despite many searches, and the nature of dark matter is still unknown. The axion is a new fundamental spin-0 particle, which was originally motivated by explaining the strong charge-parity ( CP ) problem of quantum chromodynamics (QCD) [7], the theory of the strong nuclear force within nucleons. The CP -violating term in QCD within the SM is expected to generate a sizable neutron electric dipole moment (EDM), while the experimental upper bound is roughly one trillionth that size [8]. The strong CP problem is the non-observation of this neutron EDM. Discovery of axions would aid in understanding both the cosmological dark matter problem and the strong CP problem.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Extremely Lightweight Optical Structures for Rapid Deployment

The structures that surround and support optical components play a key role in the performance of the overall optical system. For aerospace applications, creating an opto-mechanical structure that is athermal, lightweight, robust, and can be quickly developed from concept through to hardware is challenging. This project demonstrates a design and fabrication method for optical structures using origami-style folded, photo-etched sheetmetal pieces that are micro-welded to each other or to 3d printed metal components. Thin flexures, critical for athermal mounting of optics, can be thinner with sheetmetal than from standard machining, which leads to more compact designs and the ability to mount smaller optics. Building a structure by starting with the thinnest features, then folding that thin material to make the ''thicker'' sections is the opposite of standard machining (cutting thin features from thicker blocks). A design method is shown with mass savings of >90%, and stiffness to weight ratio improvements of 5x to 10x compared to standard methods for space systems hardware. Designs and processes for small, flexured, actively aligned systems are demonstrated as are methods for producing lightweight, structural, Miura-core sandwich panels in both flat and curved configurations. Concepts for deployable panels and component hinges are explored, as is a lens subcell with tunable piston movement with temperature change and an ultralight sunshade.

42 ENGINEERING↗