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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

KC-135 aero-optical turbulent boundary layer/shear layer experiment revisited

The aero-optical effects associated with propagating a laser beam through both an aircraft turbulent boundary layer and artificially generated shear layers are examined. The data present comparisons from observed optical performance with those inferred from aerodynamic measurements of unsteady density and correlation lengths within the same random flow fields. Using optical instrumentation with tens of microsecond temporal resolution through a finite aperture, optical performance degradation was determined and contrasted with the infinite aperture time averaged aerodynamic measurement. In addition, the optical data were artificially clipped to compare to theoretical scaling calculations. Optical instrumentation consisted of a custom Q switched Nd:Yag double pulsed laser, and a holographic camera which recorded the random flow field in a double pass, double pulse mode. Aerodynamic parameters were measured using hot film anemometer probes and a five hole pressure probe. Each technique is described with its associated theoretical basis for comparison. The effects of finite aperture and spatial and temporal frequencies of the random flow are considered.

Craig, J.↗
NASA NTRS1987

Thermal viscoplastic buckling during the growth of silicon ribbon

This paper is an analysis of the conditions to be satisfied in order to avoid buckling during the growth of a silicon ribbon that is being slowly pulled from the melt. A viscoplastic constitutive equation with a dislocation density effect is used to model the material behavior. The critical thicknesses and the corresponding deflection shapes are calculated by the finite element method for the cantilever boundary conditions. The value of the parameter which controls the speed of the lateral deflection is computed by using Galerkin's method. It is demonstrated that, due to the effect of viscoplasticity, some deflection shapes increase in magnitude with time and other shapes damp out.

Tsai, C. T.↗
NASA NTRS1987

Bow-tie antennas on a dielectric half-space - Theory and experiment

A new formulation is discussed for the rigous calculation of the radiation pattern of a bow-tie antenna of finite length and infinitesimal thickness, placed on a lossless dielectric substrate. The analysis is based on a representation of the current density on the metal surface of the antenna as a sum of an imposed (quasistatic) term and a set of current modes with unknown amplitudes. Free-space fields that are expressed in terms of continuous spectra of symmetrized plane waves are matched to the current modes using the method of moments. The resulting set of equations are solved for the unknown current amplitudes. The calculations show that for increasing bow length the antenna impedance spirals rapidly to a value predicted by transmission line theory. The theory also shows that the E-plane pattern of a two-wavelength, 60-deg bow-tie antenna is dominated by low-loss current modes propagating at the dielectric wavenumber. As the bow tie narrows, the loss of the modes increases, and the dominant wavenumber tends to the quasi-static value. Pattern measurements made at 94 GHz are shown to agree well with theoretical predictions. Measurements for a long-wire antenna, a linear array of bow-tie elements, and a log-periodic antenna are also presented.

Compton, Richard C.↗
NASA NTRS1990

Resonant excitation of internal gravity waves in cluster cooling flows

Orbital motions of galaxies in X-ray clusters will resonantly excite internal gravity waves (g-waves) that propagate in the plasma. The resonance corresponds to a match between the local Brunt-Vaisala oscillation frequency in the plasma and the appropriate Fourier component of the galactic gravitational potential. Radiated internal waves have an inward group velocity that carries them to the central region of the flow where they become tightly wrapped, geometrically amplified, and eventually dissipated. Waves transport energy and angular momentum, but probably not in amounts large enough to grossly alter the structure of a cooling flow, should one be present. All physical flow variables are finite at the resonance, and all energy and angular momentum deposited by a galaxy is carried inward by the waves. Nonlinear density and velocity fluctuations are likely to result from wave amplitude growth in the central regions of the flow, and a connection with the formation of emission-line filaments is a possibility.

Balbus, Steven A.↗
NASA NTRS1991

Variational finite element-tensor formulation for the large deflection random vibration of composite plates

A numerical integration routine is derived from a set of unified single step integration algorithms using a weighted satisfaction of the equilibrium equation governing the large deflection random response of laminated composite plates. The equilibrium equation is derived using a constant matrix large deflection finite-element formulation. In-plane inertia terms are considered in the formulation, however, rotary inertia terms are assumed negligible. Probability density, spectral density and autocorrelation functions of the maximum displacement and strain responses are presented for three acoustic excitation levels. Classical thin plate boundary conditions and pseudo white noise excitation are used in this investigation.

Robinson, Jay H.↗
NASA NTRS2004

A Kernel-Free Particle-Finite Element Method for Hypervelocity Impact Simulation

An improved hybrid particle-finite element method has been developed for the simulation of hypervelocity impact problems. Unlike alternative methods, the revised formulation computes the density without reference to any kernel or interpolation functions, for either the density or the rate of dilatation. This simplifies the state space model and leads to a significant reduction in computational cost. The improved method introduces internal energy variables as generalized coordinates in a new formulation of the thermomechanical Lagrange equations. Example problems show good agreement with exact solutions in one dimension and good agreement with experimental data in a three dimensional simulation.

Park, Young-Keun↗
NASA NTRS2010

Low and High Frequency Models of Response Statistics of a Cylindrical Orthogrid Vehicle Panel to Acoustic Excitation

This presentation further develops the orthogrid vehicle panel work. Employed Hybrid Module capabilities to assess both low/mid frequency and high frequency models in the VA One simulation environment. The response estimates from three modeling approaches are compared to ground test measurements. Detailed Finite Element Model of the Test Article -Expect to capture both the global panel modes and the local pocket mode response, but at a considerable analysis expense (time & resources). A Composite Layered Construction equivalent global stiffness approximation using SEA -Expect to capture response of the global panel modes only. An SEA approximation using the Periodic Subsystem Formulation. A finite element model of a single periodic cell is used to derive the vibroacoustic properties of the entire periodic structure (modal density, radiation efficiency, etc. Expect to capture response at various locations on the panel (on the skin and on the ribs) with less analysis expense

Smith, Andrew↗
DOE OSTI2026

A meshing framework for digital twins for extrusion based additive manufacturing

Additive manufacturing (AM) allows for manufacturing of complex three-dimensional geometries not typically realizable with standard manufacturing practices. The internal microstructure of AM components has a significant impact on mechanical, vibrational, and shock properties and permits richer design space when this is controllable. Due to complex interactions of internal geometry of an extrusion-based AM component, it is common practice to assume homogeneous behavior or to perform characterization testing on specific toolpath configurations. To avoid testing or material waste, it is necessary to develop a consistently accurate numerical simulation framework with relevant boundary value problems that can handle the complicated geometry of internal material microstructure present in AM components. Herein, a framework is proposed to directly create computational meshes suitable for finite element analysis (FEA) of the fine-scale features generated from extrusion-based AM tool paths to maintain a strong process–structure–property-performance linkage. This mesh can be manually or automatically analyzed using standard FEA simulations such as quasi-static preloading or modal analysis. The framework allows an in-silico assessment of a target AM geometry where fine-scale features greatly impact quantities of design interest such as in soft elastomeric lattices where toolpath infill can greatly influence the self-contact of a structure in compression, which we use as a motivating exemplar. This approach greatly reduces both time and resource waste present in traditional build and test design cycles for non-intuitive design spaces, and acts as a tool for use in the production of a key component of a digital twin, a mesh suitable for finite element analysis. In conclusion, it also further allows for the exploration of toolpath infill to optimize component properties beyond simple linear properties such as density and stiffness.

Additive manufacturing↗
DOE OSTI2023

Multi-fidelity microstructure-induced uncertainty quantification by advanced Monte Carlo methods

Quantifying uncertainty associated with the microstructure variation of a material can be a computationally daunting task, especially when dealing with advanced constitutive models and fine mesh resolutions in the crystal plasticity finite element method (CPFEM). Numerous studies have been conducted regarding the sensitivity of material properties and performance to the mesh resolution and choice of constitutive model. However, a unified approach that accounts for various fidelity parameters, such as mesh resolutions, integration time-steps and constitutive models simultaneously is currently lacking. Further, this paper proposes a novel uncertainty quantification (UQ) approach for computing the properties and performance of homogenized materials using CPFEM, that exploits a hierarchy of approximations with different levels of fidelity. In particular, we illustrate how multi-level sampling methods, such as multi-level Monte Carlo (MLMC) and multi-index Monte Carlo (MIMC), can be applied to assess the impact of variations in the microstructure of polycrystalline materials on the predictions of homogenized materials properties. We show that by adaptively exploiting the fidelity hierarchy, we can significantly reduce the number of microstructures required to reach a certain prescribed accuracy. Finally, we show how our approach can be extended to a multi-fidelity framework, where we allow the underlying constitutive model to be chosen from either a phenomenological plasticity model or a dislocation-density-based model.

36 MATERIALS SCIENCE↗
DOE OSTI2020

ELSI — An open infrastructure for electronic structure solvers

Routine applications of electronic structure theory to molecules and periodic systems need to compute the electron density from given Hamiltonian and, in case of non-orthogonal basis sets, overlap matrices. System sizes can range from few to thousands or, in some examples, millions of atoms. Different discretization schemes (basis sets) and different system geometries (finite non-periodic vs. infinite periodic boundary conditions) yield matrices with different structures. The ELectronic Structure Infrastructure (ELSI) project provides an open-source software interface to facilitate the implementation and optimal use of high-performance solver libraries covering cubic scaling eigensolvers, linear scaling density-matrix-based algorithms, and other reduced scaling methods in between. In this paper, we present recent improvements and developments inside ELSI, mainly covering (1) new solvers connected to the interface, (2) matrix layout and communication adapted for parallel calculations of periodic and/or spin-polarized systems, (3) routines for density matrix extrapolation in geometry optimization and molecular dynamics calculations, and (4) general utilities such as parallel matrix I/O and JSON output. The ELSI interface has been integrated into four electronic structure code projects (DFTB+, DGDFT, FHI-aims, SIESTA), allowing us to rigorously benchmark the performance of the solvers on an equal footing. Based on results of a systematic set of large-scale benchmarks performed with Kohn–Sham density-functional theory and density-functional tight-binding theory, we identify factors that strongly affect the efficiency of the solvers, and propose a decision layer that assists with the solver selection process. As a result, we describe a reverse communication interface encoding matrix-free iterative solver strategies that are amenable, e.g., for use with planewave basis sets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

High strain-rate compression behavior of polymeric rod and plate Kelvin lattice structures

The compressive high strain-rate behavior of polymeric Kelvin lattice structures with rod-based or plate-based unit cells was investigated through experimental techniques and finite element simulations. Polymeric lattice structures with 5x5x5 unit cell geometries were manufactured on the millimeter scale using vat polymerization additive manufacturing and tested at low (0.001/s) and high (1000/s) strain-rates. High strain-rate experiments were performed and validated for a viscoelastic split-Hopkinson (Kolsky) pressure bar system (SHPB) coupled with high-speed imaging and digital image correlation (DIC). Experimental results at both low and high strain-rates show the formation of a localized deformation band which was more prevalent in low relative density specimens and low strain-rate experiments. Strain-rate effects of lattice specimens strongly correlate with effects of the base polymer material; both bulk polymer and lattice specimen demonstrated strain-rate hardening, strain-rate stiffening, and decreased fracture strain under dynamic loading. Results show mechanical failure properties and energy absorption depended strongly on the relative density of the lattice specimen and exhibited distinct scaling between relative density and geometry type (rod, plate) and loading rate. High relative density plate-lattices demonstrated inferior mechanical properties to rod-lattices; however, there exists a critical relative density for a given mechanical property (17%- 28%) below which plate-lattices outperform rod-lattices of similar mass. As a result, high strain-rate explicit finite element simulations were performed and showed good agreement with the mechanical failure trends and deformation modes observed in the experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

In Situ Determination of Thermoelastic Properties of Magnesite at High Pressure and Temperature With Implications to Seismic Detectability of Moderately Carbonated Lithologies in the Earth's Mantle

Abstract Subduction of carbonate‐bearing oceanic plates into Earth's interior recycles carbon from the surface to the deep mantle. The subducted carbonates can significantly affect mantle properties and dynamics. Magnesite is recognized as one of the major potential carbon hosts in the deep mantle because of its stability up to deep lower mantle conditions. However, despite many previous studies on the equation of state and elastic properties of magnesite, large discrepancies still exist for its elastic moduli and their pressure and temperature derivatives. Here we report in situ density and elastic wave velocity measurements on a natural magnesite at simultaneous high pressure‐temperature conditions up to ∼8 GPa–1073 K in a multi‐anvil apparatus using ultrasonic and synchrotron X‐ray techniques. Global fitting of the data set to finite strain equations yieldsK S0 = 114.0 ± 1.2 GPa, = 4.9 ± 0.3, = (−0.019 ± 0.002) GPa/K,G 0 = 68.6 ± 0.4 GPa,G′ = 1.6 ± 0.1, and = (−0.018 ± 0.001) GPa/K. Compared to other major upper mantle and transition zone minerals, magnesite has intermediateV P , the lowestV S , and the lowest density. Thus, magnesite possesses higherV P /V S ratio than other mantle minerals in normal mantle regions, whereas this feature is less pronounced in subduction zone environments. Modeling of the velocity profiles of carbonated lithologies along different geotherms suggests that moderately‐enriched magnesite domains are unlikely to be detected seismically in the Earth's mantle.

Geochemistry & Geophysics↗
DOE OSTI2021

Design of High Power Density 100 kW Surface Permanent Magnet Machine with No Heavy Rare Earth Material Using Current Source Inverter for Traction Application

Surface permanent magnet (SPM) machines are appealing candidates for traction applications because of high power density and high efficiency. Rare-earth magnets deliver high performance but raise concerns about material supply dependability, particularly if they use heavy rare-earth materials. This paper presents the design of a high-performance SPM machine without any heavy rare-earth material that is optimized specifically for a current-source inverter (CSI) traction drive. This machine is designed for a constant-power speed ratio (CPSR) of 3. A genetic algorithm has been performed to achieve a target of 50 kW/L active power density at speeds up to 20,000 rpm. Operation at a peak line-to-line voltage of 800 V can be achieved using 1200 V power devices with a safety margin. The predicted electromagnetic and rotor structural performance characteristics are presented using both analytical and finite element analysis (FEA) results.

(CPSR)↗
NASA NTRS2003

Gravitational Lenses and the Structure and Evolution of Galaxies

The grant has supported the completion of 16 papers and 4 conference proceedings to date. During the first year of the project we completed five papers, each of which represents a new direction in the theory and interpretation of gravitational lenses. In the first paper, "The Importance of Einstein Rings", we developed the first theory for the formation and structure of the Einstein rings formed by lensing extended sources like the host galaxies of quasar and radio sources. We applied the theory to three lenses with lensed host galaxies. For the time delay lens PG 1115+080 we found that the structure of the Einstein ring ruled out models of the gravitational potential which permitted a large Hubble constant (70 km/s Mpc). In the second paper, :Cusped Mass Models Of Gravitational Lenses", we introduced a new class of lens models where the central density is characterized by a cusp ( rho proportional to tau(sup -gamma), 1 less than gamma less than 2) as in most modern models and theories of galaxies rather than a finite core radius. In the third paper, "Global Probes of the Impact of Baryons on Dark Matter Halos", we made the first globally consistent models for the separation distribution of gravitational lenses including both galaxy and cluster lenses. We show that the key physics for the origin of the sharp separation cutoff in the separation distribution near 3 arc sec is the effect of the cooling baryons in galaxies on the density structure of the system.

Kochanek, Christopher↗
DOE OSTI2023

Real-space solution to the electronic structure problem for nearly a million electrons

We report a Kohn–Sham density functional theory calculation of a system with more than 200 000 atoms and 800 000 electrons using a real-space high-order finite-difference method to investigate the electronic structure of large spherical silicon nanoclusters. Our system of choice was a 20 nm large spherical nanocluster with 202 617 silicon atoms and 13 836 hydrogen atoms used to passivate the dangling surface bonds. To speed up the convergence of the eigenspace, we utilized Chebyshev-filtered subspace iteration, and for sparse matrix–vector multiplications, we used blockwise Hilbert space-filling curves, implemented in the PARSEC code. For this calculation, we also replaced our orthonormalization + Rayleigh–Ritz step with a generalized eigenvalue problem step. We utilized all of the 8192 nodes (458 752 processors) on the Frontera machine at the Texas Advanced Computing Center. We achieved two Chebyshev-filtered subspace iterations, yielding a good approximation of the electronic density of states. Our work pushes the limits on the capabilities of the current electronic structure solvers to nearly 106 electrons and demonstrates the potential of the real-space approach to efficiently parallelize large calculations on modern high-performance computing platforms.

Chemistry↗
DOE OSTI2025

Sound velocities and thermal equation of state of fcc -iron-nickel alloys at high pressure and high temperature: Implications for the cores of Moon and several planets

Fcc-Fe-Ni alloy is believed to be the most dominant solid constitute of moderate-sized terrestrial planetary cores. Investigating the physical properties, especially the density and sound velocity of Fe-Ni alloys and comparing them with seismic observations is an indispensable approach to constructing compositional models for planetary interiors. In this study, we conducted sound velocity measurements on Fe-Ni alloys with 10 wt.% and 20 wt.% Ni up to ∼13.5 GPa and 1073 K, using the ultrasonic interferometry technique in a multi-anvil apparatus in conjunction with synchrotron radiation. By fitting the experimental data to finite strain equations, the bulk and shear moduli and their pressure and temperature derivatives are derived, yielding K S0 =145.8(14) GPa, G 0 = 73.2(7) GPa, K S0 ’ = 5.89(24), G 0 ’ = 2.89(8), (∂K S /∂T) P = -0.0181(12) GPa/K and (∂G/∂T) P = -0.0393(10) GPa/K for fcc-Fe 80 Ni 20 . An examination of the density-velocity relationship shows that compressional wave velocity is insensitive to temperature within the current pressure and temperature range, while shear wave velocity exhibits a large reduction with increasing temperature. Here, extrapolation of the sound velocities following the finite strain theories suggests that much slower Vs should be expected at pressure and temperature conditions corresponding to those of the lunar core. Possible core density and velocity profiles for other moderate planets and satellites, such as Mars, Mercury, and Ganymede are also calculated.

Equation of state↗
DOE OSTI2021

Finite-size correction for slab supercell calculations of materials with spontaneous polarization

Abstract The repeated slab approach has become a de facto standard to accurately describe surface properties of materials by density functional theory calculations with periodic boundary conditions. For materials exhibiting spontaneous polarization, we show that the conventional scheme of passivation with pseudo hydrogen is unable to realize a charge-neutral surface. The presence of a net surface charge induces via Gauss’s law a macroscopic electric field through the slab and results in poor size convergence with respect to the thickness of the slab. We propose a modified passivation method that accounts for the effect of spontaneous polarization, describes the correct bulk limits and boosts convergence with respect to slab thickness. The robustness, reliability, and superior convergence of energetics and electronic structure achieved by the proposed method are demonstrated using the example of polar ZnO surfaces.

Chemistry↗
DOE OSTI2020

Dirty bosons on the Cayley tree: Bose-Einstein condensation versus ergodicity breaking

Building on large-scale quantum Monte Carlo simulations, we investigate the zero-temperature phase diagram of hard-core bosons in a random potential on site-centered Cayley trees with branching number K=2. In order to follow how the Bose-Einstein condensate (BEC) is affected by the disorder, we focus on both the zero-momentum density, probing the quantum coherence, and the one-body density matrix (1BDM) whose largest eigenvalue monitors the off-diagonal long-range order. We further study its associated eigenstate which brings useful information about the real-space properties of this leading eigenmode. Upon increasing randomness, we find that the system undergoes a quantum phase transition at finite disorder strength between a long-range ordered BEC state, fully ergodic at large scale, and a new disordered Bose glass regime showing conventional localization for the coherence fraction while the 1BDM displays a nontrivial algebraic vanishing BEC density together with a nonergodic occupation in real space. These peculiar properties can be analytically captured by a simple phenomenological description on the Cayley tree which provides a physical picture of the Bose glass regime.

36 MATERIALS SCIENCE↗