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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Stress Formulation in Three-Dimensional Elasticity

The theory of elasticity evolved over centuries through the contributions of eminent scientists like Cauchy, Navier, Hooke Saint Venant, and others. It was deemed complete when Saint Venant provided the strain formulation in 1860. However, unlike Cauchy, who addressed equilibrium in the field and on the boundary, the strain formulation was confined only to the field. Saint Venant overlooked the compatibility on the boundary. Because of this deficiency, a direct stress formulation could not be developed. Stress with traditional methods must be recovered by backcalculation: differentiating either the displacement or the stress function. We have addressed the compatibility on the boundary. Augmentation of these conditions has completed the stress formulation in elasticity, opening up a way for a direct determination of stress without the intermediate step of calculating the displacement or the stress function. This Completed Beltrami-Michell Formulation (CBMF) can be specialized to derive the traditional methods, but the reverse is not possible. Elasticity solutions must be verified for the compliance of the new equation because the boundary compatibility conditions expressed in terms of displacement are not trivially satisfied. This paper presents the variational derivation of the stress formulation, illustrates the method, examines attributes and benefits, and outlines the future course of research.

Patnaik, Surya N.↗
DOE OSTI2023

Identifying native point defect configurations in α-alumina

Intimately intertwined atomic and electronic structures of point defects govern diffusion-limited corrosion and underpin the operation of optoelectronic devices. For some materials, complex energy landscapes containing metastable defect configurations challenge first-principles modeling efforts. Here, we thoroughly reevaluate native point defect geometries for the illustrative case of α-Al 2 O 3 by comparing three methods for sampling candidate geometries in density functional theory calculations: displacing atoms near a naively placed defect, initializing interstitials at high-symmetry points of a Voronoi decomposition, and Bayesian optimization. We find symmetry-breaking distortions for oxygen vacancies in some charge states, and we identify several distinct oxygen split-interstitial geometries that help explain literature discrepancies involving this defect. We also report a surprising and, to our knowledge, previously unknown trigonal geometry favored by aluminum interstitials in some charge states. Importantly, these new configurations may have transformative impacts on our understanding of defect migration pathways in aluminum-oxide scales protecting metal alloys from corrosion. Overall, the Voronoi scheme appears most effective for sampling candidate interstitial sites because it always succeeded in finding the lowest-energy geometry identified in this study, although no approach found every metastable configuration. Finally, we show that the position of defect levels within the band gap can depend strongly on the defect geometry, underscoring the need to conduct careful searches for ground-state geometries in defect calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Efficient, direct compilation of SU(N) operations into SNAP & Displacement gates

We present a function which connects the parameter of a previously published short sequence of selective number-dependent arbitrary phase (SNAP) and displacement gates acting on a qudit encoded into the Fock states of a superconducting cavity, $V_k(\alpha)=D(\alpha)R_\pi(k)D(-2\alpha)R_\pi(k)D(\alpha)$ to the angle of the Givens rotation $G(\theta)$ on levels $|k\rangle,|k+1\rangle$ that sequence approximates, namely $\alpha=\Phi(\theta) = \frac{\theta}{4\sqrt{k+1}}$. Previous publications left the determination of an appropriate $\alpha$ to numerical optimization at compile time. The map $\Phi$ gives us the ability to compile directly any $d$-dimensional unitary into a sequence of SNAP and displacement gates in $O(d^3)$ complex floating point operations with low constant prefactor, avoiding the need for numerical optimization. Numerical studies demonstrate that the infidelity of the generated gate sequence $V_k$ per Givens rotation $G$ scales as approximately $O(\theta^6)$. We find numerically that the error on compiled circuits can be made arbitrarily small by breaking each rotation into $m$$\theta/m$ rotations, with the full $d\times d$ unitary infidelity scaling as approximately $O(m^{-4})$. This represents a significant reduction in the computational effort to compile qudit unitaries either to SNAP and displacement gates or to generate them via direct low-level pulse optimization via optimal control.

Job, Joshua↗
DOE OSTI2025

A cohesive zone treatment for the material point method involving problems of large deformation and damage

A new algorithm is described that permits the use of cohesive zones in the material point method for problems involving large deformation and fracture. In contrast to previous cohesive zone implementations, this method does not utilize massless surface-element particles. Instead, cohesive tractions are computed using the shape function mappings from a reference grid configuration in combination with explicitly defined particle surface normals and surface positions. These normals and relative surface positions are updated each time step according to particle deformation. The tractions are converted to cohesive forces using the nodal areas and mapped back to particles using the same reference shape function mappings. These forces are then remapped by conventional particle-to-grid interpolation as external forces using the current-configuration shape-function mappings. This allows highly compliant cohesive zones to function over jump displacements larger than a grid cell. Upon damage, these interfaces can revert to conventional multi-field contact surfaces. This approach is general and readily applies to two and three dimensions as well as being compatible with damage-field gradient partitioning offering exceptional computational flexibility. The framework for this method enables other capabilities, such as improved contact precision using explicitly defined surface normals and positions, and a method to mitigate spurious material damage at weak discontinuities between stiff brittle materials and soft or compliant materials.

Cohesive zone↗
DOE OSTI2024

Kernel fusion in atomistic spin dynamics simulations on Nvidia GPUs using tensor core

In atomistic spin dynamics simulations, the time cost of constructing the space- and time-displaced pair correlation function in real space increases quadratically as the number of spins N, leading to significant computational effort. The GEMM subroutine can be adopted to accelerate the calculation of the dynamical spin-spin correlation function, but the computational cost of simulating large spin systems (>40000 spins) on CPUs remains expensive. In this work, we perform the simulation on the graphics processing unit (GPU), a hardware solution widely used as an accelerator for scientific computing and deep learning. Here we show that GPUs can accelerate the simulation up to 25-fold compared to multi-core CPUs when using the GEMM subroutine on both. To hide memory latency, we fuse the element-wise operation into the GEMM kernel using CUTLASS that can improve the performance by 26% ~ 33% compared to implementation based on cuBLAS. Furthermore, we perform the on-the-fly calculation in the epilogue of the GEMM subroutine to avoid saving intermediate results on global memory, which makes the large-scale atomistic spin dynamics simulation feasible and affordable.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A generative artificial intelligence framework for long-time plasma turbulence simulations

Generative deep learning techniques are employed in a novel framework for the construction of surrogate models capturing the spatiotemporal dynamics of 2D plasma turbulence. The proposed Generative Artificial Intelligence Turbulence (GAIT) framework enables the acceleration of turbulence simulations for long-time transport studies. GAIT leverages a convolutional variational auto-encoder and a recurrent neural network to generate new turbulence data from existing simulations, extending the time horizon of transport studies with minimal computational cost. The application of the GAIT framework to plasma turbulence using the Hasegawa–Wakatani (HW) model is presented, evaluating its performance via various analyses. Very good agreement is found between the GAIT and the HW models in the spatiotemporal Fourier and Proper Orthogonal Decomposition spectra, the flow topology characterized by the Okubo–Weiss parameter, and the time autocorrelation function of turbulent fluctuations. Excellent agreement has also been obtained in the probability distribution function of particle displacements and the effective turbulent diffusivity. In-depth analyses of the latent space of turbulent states, choice of hyperparameters and alternative deep learning models for the time prediction are presented. Our results highlight the potential of Artificial Intelligence-based surrogate models to overcome the computational challenges in turbulence simulation, which can be extended to other situations such as geophysical fluid dynamics.

Artificial intelligence↗
NASA NTRS1966

Mechanism continuously measures static and dynamic cable loads

Pulley mechanism measures the tensile loads on a cable under static and dynamic conditions, without disturbing the continuity of operation of the system. A set of takeoff pulleys are mounted on a pivoted frame that is linked to a strain gage which measures the frame displacement as a function of the static or dynamic tensile load on the cable.

Source record↗
NASA NTRS1972

Environmental hydrogen embrittlement of an alpha-beta titanium alloy - Effect of microstructure.

Study of environmental hydrogen embrittlement of a Ti-6 Al-4 alloy as a function of test displacement rate and of variations in alpha-beta microstructure. Embrittlement in low-pressure (about 1 atm) gaseous hydrogen was inversely dependent on test displacement rate and strongly dependent on microstructure. At a given displacement rate, microstructures having a continuous alpha-phase matrix were less severely embrittled than those having a continuous beta-phase matrix. Further, brittle fracture occurred in the former microstructures by transgranular cleavage and in the latter microstructures by intergranular separation. These observations are consistent with previous studies made on slow strain-rate embrittlement of hydrogen-charged titanium alloys and are explained in terms of relative hydrogen transport rates within the alpha-phase and beta-phase titanium.

Nelson, H. G.↗
NASA NTRS1972

Crack shapes and stress intensity factors for edge-cracked specimens.

A simple stress intensity factor expression is given for a deep edge crack in a plate in tension. The shapes of cracks opened by tension or bending are approximated by conic sections, and the conic section coefficients are related to plate geometry by very simple empirical equations. The magnitude of the crack displacement is a function of applied load, plate geometry, and the elastic constants of the plate material. The shape of a loaded crack in a semiinfinite plate is, approximately, a portion of an ellipse whose semimajor axis is about three times the crack length. As the crack length (relative to the plate width) increases, the crack shape becomes parabolic, then hyperbolic, the acuity of the hyperbola increasing with the relative crack length.

Orange, T. W.↗
NASA NTRS1973

A general conclusion regarding the large amplitude flexural vibration of beams and plates.

Use is made of the two coupled partial differential equations that govern the large amplitude flexural vibration of flat plates. On the basis of an assumed vibration mode taken to be separable in the space coordinates and time, the modal equation is obtained. In the case of a one-term solution, it is shown that the modal equation is the same as the dynamic equation of a mass-spring combination where the restoring force of the nonlinear spring is a cubic and an odd function of the displacement. Since the modal equation is a nonlinear, ordinary differential equation with positive coefficients, it is shown that the nonlinearity associated with the large amplitude flexural vibration of beams and plates is of the hardening type, that is, the frequency increases with amplitude.

Pandalai, K. A. V.↗
NASA NTRS1974

Fluid-structure finite-element vibrational analysis

A fluid finite element has been developed for a quasi-compressible fluid. Both kinetic and potential energy are expressed as functions of nodal displacements. Thus, the formulation is similar to that used for structural elements, with the only differences being that the fluid can possess gravitational potential, and the constitutive equations for fluid contain no shear coefficients. Using this approach, structural and fluid elements can be used interchangeably in existing efficient sparse-matrix structural computer programs such as SPAR. The theoretical development of the element formulations and the relationships of the local and global coordinates are shown. Solutions of fluid slosh, liquid compressibility, and coupled fluid-shell oscillation problems which were completed using a temporary digital computer program are shown. The frequency correlation of the solutions with classical theory is excellent.

Feng, G. C.↗
NASA NTRS1977

Meteorological radar facility (MRF) slot conductance investigations

A preliminary meteorological radar facility (MRF) array design was completed in support of the slot conductance measurement program. Three different slot measurement techniques were evaluated. The selection of the probe comparison measurement technique was selected as the principal experimental method with the impedance measurement technique chosen to measure a few higher conductance slots to be used as reference slots. The impedance of 43 slots in 0.9 x 0.4 inch standard waveguide and of 40 slots in 0.835 x 0.4 inch waveguide was measured. Also, impedance measurements were made of a few slots using image planes to simulate mutual coupling effects. The measured and theoretical conductance, susceptance, and radiation phase data are presented in graphic form as a function of slot displacement for constant slot length, and of slot length for constant slot displacement. It is concluded that the proposed MRF array design approach is a feasible one.

Ratkevich, A. E.↗
NASA NTRS1978

Low-cycle fatigue of thermal-barrier coatings at 982 deg C

The low-cycle fatigue lives of ZrO2-NiCrAlY and Al2O3-ZrO2-NiCrAlY thermal-barrier coatings in air at 982 C were determined from cyclic flexural tests of coated TAZ-8A strips. Strains were computed as a function of specimen displacements from a nonlinear, three-dimensional stress analysis program. Fatigue resistances of thermal-barrier coatings applied to the strips were compared with those of uncoated and NiCrAlY-coated strips. The results indicate that ZrO2 is about four times greater in fatigue life than TAZ-8A at 982 C, that ZrO2 would probably retain that fatigue strength up to 1316 C, and that adding an outer coat of Al2O3 to ZrO2 is neither beneficial nor detrimental to fatigue resistance.

Kaufman, A.↗
NASA NTRS1980

Noncontacting method for measuring angular deflection

An apparatus is described for indicating the instantaneous angular deflection of an object about a selected axis without mechanical contact with the object. Light from a light source is transmitted through a flat refractor to a converging lens which focuses the light through another flat refractor onto a differential photocell. The first flat refractor is attached to the object such that when the object is deflected about the selected axis the refractor is also deflected about that axis. The two flat refractors are identical and they are placed an equal distance from the converging lens as are the light source and the photocell. The output of the photocell which is a function of image displacement is fed to a high gain amplifier that drives a galvanometer which rotates the second flat refractor. The second refractor is rotated so that the image displacement is very nearly zero making the galvanometer current a measure of the deflection of the object about the selected axis.

Bryant, E. L.↗
NASA NTRS1981

Vibrations of cantilevered shallow cylindrical shells of rectangular planform

A cantilevered, shallow shell of circular cylindrical curvature and rectangular planform exhibits free vibration behavior which differs considerably from that of a cantilevered beam or of a flat plate. Some numerical results can be found for the problem in the previously published literature, mainly obtained by using various finite element methods. The present paper is the first definitive study of the problem, presenting accurate non-dimensional frequency parameters for wide ranges of aspect ratio, shallowness ratio and thickness ratio. The analysis is based upon shallow shell theory. Numerical results are obtained by using the Ritz method, with algebraic polynomial trial functions for the displacements. Convergence is investigated, with attention being given both to the number of terms taken for each co-ordinate direction and for each of the three components of displacement. Accuracy of the results is also established by comparison with finite element results for shallow shells and with other accurate flat plate solutions.

Leissa, A. W.↗
NASA NTRS1982

A cylindrical shell with an arbitrarily oriented crack

The general problem of a shallow shell with constant curvatures is considered. It is assumed that the shell contains an arbitrarily oriented through crack and the material is specially orthotropic. The nonsymmetric problem is solved for arbitrary self equilibrating crack surface tractions, which, added to an appropriate solution for an uncracked shell, would give the result for a cracked shell under most general loading conditions. The problem is reduced to a system of five singular integral equations in a set of unknown functions representing relative displacements and rotations on the crack surfaces. The stress state around the crack tip is asymptotically analyzed and it is shown that the results are identical to those obtained from the two dimensional in plane and antiplane elasticity solutions. The numerical results are given for a cylindrical shell containing an arbitrarily oriented through crack. Some sample results showing the effect of the Poisson's ratio and the material orthotropy are also presented.

Yahsi, O. S.↗