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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Accuracy of the TRIA3 thick shell element

The accuracy of the new TRIA3 thick shell element is assessed via comparison with a theoretical solution for thick homogeneous and honeycomb flat simply supported plates under the action of a uniform pressure load. The theoretical thick plate solution is based on the theory developed by Reissner and includes the effects of transverse shear flexibility which are not included in the thin plate solutions based on Kirchoff plate theory. In addition, the TRIA3 is assessed using a set of finite element test problems developed by the MacNeal-Schwendler Corp. (MSC). Comparison of the COSMIC TRIA3 element as well as those from MSC and Universal Analytics Inc. (UAI) for these problems is presented. The current COSMIC TRIA3 element is shown to have excellent comparison with both the theoretical solutions and also those from the two commercial versions of NASTRAN with which it is compared.

Case, William R.↗
DOE OSTI2022

Atomic-Layer-Deposited Aluminum Oxide Thin Films Probed with X-ray Scattering and Compared to Molecular Dynamics and Density Functional Theory Models

A better understanding of amorphous aluminum oxide’s structure and electronic properties is obtained through combined experimental and computational approaches. Grazing incidence X-ray scattering measurements were carried out on aluminum oxide thin films grown using thermal atomic layer deposition. The corresponding pair distribution functions (PDFs) showed structures similar to previously reported PDFs of solid-state amorphous alumina and molten alumina. Structural models based on crystalline alumina polymorphs (PDFgui) and amorphous alumina (molecular dynamics, MD) were examined for structural comparisons to the experimental PDF data. Smaller MD models were optimized and verified against larger models to allow for quantum chemical electronic structure calculations. The electronic structure of the amorphous alumina models yields additional insight into the band structure and electronic defects present in amorphous alumina that are not present in crystalline samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

A uniform GTD analysis of the EM diffraction by a thin dielectric/ferrite half-plane and related configurations

A uniform geometrical theory of diffraction (UTD) solution is developed for the problem of the diffraction by a thin dielectric/ferrite half plane when it is excited by a plane, cylindrical, or surface wave field. Both transverse electric and transverse magnetic cases are considered. The solution of this problem is synthesized from the solutions to the related problems of EM diffraction by configurations involving perfectly conducting electric and magnetic walls covered by a dielectric/ferrite half-plane of one half the thickness of the original half-plane.

Rojas, Roberto G.↗
DOE OSTI2021

Diffusion energy barrier of Au on Bi 2 Se 3 : theory and experiment

The stability and diffusion of ultra-thin thermally deposited Au films on Bi 2 Se 3 was studied using scanning tunneling microscopy and density functional theory calculations. The Au/Bi 2 Se 3 interface is of interest as gold is predicted to provide excellent electrical contact while maintaining the spin-polarized characteristics of the electronic states in Bi 2 Se 3 that make the material attractive for spintronic applications. When deposited at room temperature, Au 10 covers the surface with tightly packed islands of nanometer scale dimension. The surface morphology is stable up to 400K. At this annealing temperature, Au atoms have sufficient energy to diffuse across the surface and aggregate into larger nanostructures. At 550K, the Bi 2 Se 3 surface is only sparsely covered, and the Au has formed clusters with length scales 5-10 times larger than the original islands formed at room temperature. Comparison of the experiment and first principle calculation lead to the conclusion that the diffusion energy barrier for Au on Bi 2 Se 3 is as high as 0.47 eV, 15 which is much larger than diffusion barriers on other van der Waals materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1988

Non-isothermal elastoviscoplastic analysis of planar curved beams

The development of a general mathematical model and solution methodologies, to examine the behavior of thin structural elements such as beams, rings, and arches, subjected to large nonisothermal elastoviscoplastic deformations is presented. Thus, geometric as well as material type nonlinearities of higher order are present in the analysis. For this purpose a complete true abinito rate theory of kinematics and kinetics for thin bodies, without any restriction on the magnitude of the transformation is presented. A previously formulated elasto-thermo-viscoplastic material constitutive law is employed in the analysis. The methodology is demonstrated through three different straight and curved beams problems.

Simitses, G. J.↗
NASA NTRS1975

Strong scintillations in astrophysics. II - A theory of temporal broadening of pulses

A theory of temporal broadening of pulses propagating in a turbulent medium is developed on the basis of the Markov approximation. The theory may be applied to quite general turbulence spectra and to thin or thick turbulent regions. Since the basis of the theory is the wave equation, no reliance is placed on geometrical optics and no assumptions are made about the scattered angular spectrum. The observed smearing is found to be the combination of three effects: the dispersion effect, the pure refractive effect, and the diffraction effect. The last of these dominates for typical pulsar parameters. Pulse shapes are calculated for both Gaussian and Kolmogorov turbulence spectra and it is shown how these scale with the various turbulence parameters.

Lee, L. C.↗
DOE OSTI2024

Millimeter-Scale Exfoliation of hBN with Tunable Flake Thickness for Scalable Encapsulation

As a two-dimensional (2D) dielectric material, hexagonal boron nitride (hBN) is in high demand for applications in photonics, nonlinear optics, and nanoelectronics. Unfortunately, the high-throughput preparation of macroscopic-scale, high-quality hBN flakes with controlled thickness is an ongoing challenge, limiting device fabrication and technological integration. In this report we present a metal thin-film exfoliation method to prepare hBN flakes with millimeter-scale dimension, near-unity yields, and tunable flake thickness distribution from 1-7 layers, a substantial improvement over scotch tape exfoliation. The single crystallinity and high quality of the exfoliated hBN are demonstrated with optical microscopy, atomic force microscopy, Raman spectroscopy, and second harmonic generation. We further explore a possible mechanism for the effectiveness and selectivity based on thin-film residual stress measurements, density functional theory calculations, and transmission electron microscopy imaging of the deposited metal films. We find that the magnitude of the residual tensile stress induced by thin film deposition plays a key role in determining exfoliated flake thickness in a manner which closely resembles 3D semiconductor spalling. Lastly, we demonstrate that our exfoliated, large-area hBN flakes can be readily incorporated as encapsulating layers for other 2D monolayers. Altogether, this method brings us one step closer to the high throughput, mass production of hBN-based 2D photonic, optoelectronic, and quantum devices.

2D materials↗
NASA NTRS1986

Threshold determining mechanisms for discharges in high voltage solar arrays

A theory is developed to account for the observed properties of discharges of solar arrays immersed in plasma. The theory is based on the assumption that a thin layer of insulating contaminant covers any metallic surface exposed to the plasma. Quantities derivable from the theory include a voltage threshold for arcing. The existence of the threshold and its predicted weak dependence on plasma density appear consistent with experimental results.

Parks, D. E.↗
NASA NTRS1990

Exponential ground impedance models and their interpretation

The authors compare the results of Donato's exponentially varying ground model, Attenborough's exponentially varying ground model and the rigid backed thin layer model. They show that these models produce similar results for slow variations. For rapid variations the results are quite different, but the basic theory used is only correct for the thin layer model. These results suggest that the exponentially varying models are not necessary for fitting ground impedance data.

Raspet, Richard↗
NASA NTRS1990

On the buoyancy-driven motion of a drop towards a rigid surface or a deformable interface

The deformation of a viscous drop, driven by buoyancy toward a solid surface or a deformable interface, is analyzed in the asymptotic limit of small Bond number, for which the deformation becomes important only when the drop is close to the solid surface or interface. Lubrication theory is used to describe the flow in the thin gap between the drop and the solid surface or interface, and boundary-integral theory is used in the fluid phases on either side of the gap. The evolution of the drop shape is traced from a relatively undeformed state until a dimple is formed and a long-time quasi-steady-state pattern is established. A wide range of drop to suspending phase viscosity ratios is examined. It is shown that a dimple is always formed, independently of the viscosity ratio, and that the long-time thinning rates take simple forms as inverse fractional powers of time.

Yiantsios, Stergios G.↗
DOE OSTI2021

The Buckling Spectra of Nanoparticle Surfactant Assemblies

Fine control over the mechanical properties of thin sheets underpins transcytosis, cell shape, and morphogenesis. Applying these principles to artificial, liquid-based systems has led to reconfigurable materials for soft robotics, actuation, and chemical synthesis. However, progress is limited by a lack of synthetic two-dimensional membranes that exhibit tunable mechanical properties over a comparable range to that seen in nature. In this study, we show that the bending modulus, B , of thin assemblies of nanoparticle surfactants (NPSs) at the oil–water interface can be varied continuously from sub- k B T to 10 6 k B T , by varying the ligands and particles that comprise the NPS. We find extensive departure from continuum behavior, including enormous mechanical anisotropy and a power law relation between B and the buckling spectrum width. Our findings provide a platform for shape-changing liquid devices and motivate new theories for the description of thin-film wrinkling.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1991

Effect of damage on elastically tailored composite laminates

A variationally consistent theory is derived in order to predict the response of anisotropic thin-walled closed sections subjected to axial load, torsion and bending. The theory is valid for arbitrary cross-sections made of laminated composite materials with variable thickness and stiffness. Closed form expressions for the stiffness coefficients are provided as integrals in terms of lay-ups parameters and cross-sectional geometry. A comparison of stiffness coefficients and response with finite element predictions and a closed form solution is performed. The theory is applied to the investigation of the effect of damage on the extension-twist coupling in a thin-walled closed section beam. The damage is simulated as a progressive ply-by-ply failure. Results show that damage can have a significant effect on the extension-twist coupling.

Armanios, Erian↗
DOE OSTI2021

Static adhesion hysteresis in elastic structures

Adhesive interactions between elastic structures such as graphene sheets, carbon nanotubes, and microtubules have been shown to exhibit hysteresis due to irrecoverable energy loss associated with bond breakage, even in static (rate-independent) experiments. To understand this phenomenon, we start with a minimal theory for the peeling of a thin sheet from a substrate, coupling the local event of bond breaking to the nonlocal elastic relaxation of the sheet and show that this can drive static adhesion hysteresis over a bonding/debonding cycle. Using this model we quantify hysteresis in terms of the adhesion and elasticity parameters of the system. We find that this allows us to derive a scaling relation that preserves hysteresis at different levels of granularity while resolving a seeming paradox of lattice trapping in the continuum limit of a discrete fracture process. Finally, to verify our theory, we use new experiments to demonstrate and measure adhesion hysteresis in bundled microtubules.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Extrinsic n-type doping of Cd 3 As 2 thin films

Cd 3 As 2 provides an excellent platform for studying the physics of three-dimensional Dirac semimetals due to its stability as well as its compatibility with thin film growth. Crystals made using both bulk and thin film synthesis are unintentionally doped n-type, and other than introducing Zn to reduce the carrier concentration, no efforts have been reported to alter this intrinsic doping without major changes to the band structure. Here, group VI elements Te and Se are introduced during epitaxy to increase the electron concentration of the films. Starting from an unintentionally doped electron concentration of 1–2 × 10 17 cm -3 , concentrations of up to 3 × 10 18 cm -3 are achieved. Analysis of Shubnikov–de Haas oscillations reveals good agreement in calculated effective mass and Fermi velocity of highly doped films with unintentionally doped single crystals with similar electron concentrations. The density functional theory is also performed to study the effects of group VI substitutions and confirms no strong perturbations in the electronic structure. This work ultimately demonstrates tunability in the carrier concentration using extrinsic dopants without substantial changes in the band structure, allowing for intentional design of Fermi-level position for device applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Ferroelectricity in boron-substituted aluminum nitride thin films

This manuscript demonstrates ferroelectricity in B-substituted AlN thin films and a complementary set of first-principles calculations to understand their structure-property relationships. Al 1–x B x N films are grown by dual-cathode reactive magnetron sputtering on (110)W/(001)Al 2 O 3 substrates at 300°C at compositions spanning x = 0 to x = 0.20. X-ray diffraction studies indicate a decrease in both the c and a lattice parameters with increasing B concentration, resulting in a decrease in unit cell volume and a constant c/a axial ratio of 1.60 over this composition range. Films with 0.02 ≤ x ≤ 0.15 display ferroelectric switching with remanent polarizations exceeding 125 μCcm –2 while maintaining band gap energies of > 5.2eV. The large band gap allows low frequency hysteresis measurement (200 Hz) with modest leakage contributions. At B concentrations of x > 0.15, c-axis orientation deteriorates and ferroelectric behavior is degraded. Furthermore, density-functional theory calculations corroborate the structural observations and provide predictions for the wurtzite u parameter, polarization reversal magnitudes, and composition-dependent coercive fields.

36 MATERIALS SCIENCE↗