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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Interfacial Strength Evaluation of Oxide Films on Carbon Steel by Using the Laser Shock Adhesion Test

We investigate the adhesion strength (interfacial strength) of the oxide film formed on a carbon steel substrate by using a laser shock adhesion test (LaSAT). A rolled carbon steel (SS400) plate is first heated at high temperature (700 °C) under the atmosphere (heat treatment) to cause the formation of oxide films about 20-50 μm thick on the steel surface. The film consisted of multiple layers, including wustite (FeO), magnetite (Fe{sub 3}O{sub 4}), and hematite (Fe{sub 2}O{sub 3}). Next, the x-ray diffraction method was used to measure the residual stress in the film. We find that compression stress develops in the film because of a mismatch of thermal strain in between the film and substrate after the heat treatment. With LaSAT, strong elastic wave generates by a pulsed laser ablation of the substrate backside, and results in interfacial fractures in the oxide films. To monitor the normal (out-of-plane) displacement of the top surface film, a laser ultrasonic interferometer is simultaneously utilized, such that we detect film delamination and determine the critical laser energy for interfacial fracture to obtain the critical stress (interfacial strength). Furthermore, additional pulsed laser irradiation is conducted against a pre-delaminated specimen in order to examine the growth of delamination area and evaluate the interfacial fracture toughness. Finally, elastic wave propagation in the sample is computed using the finite element method (FEM) in order to evaluate the interfacial stress field, accurately. For the FEM, multiple layers in the oxide film are modeled, and the residual stress due to thermal strain mismatch is introduced. The FEM computations reveal the stress distribution around the interface and evaluate the critical stress and critical stress intensity factor for delamination. We thus quantitatively evaluate the interfacial strength and interfacial fracture toughness of the oxide film formed on carbon steel. The mechanism of interfacial fracture is also discussed on the basis of microstructures in a film with multiple layers. This result may be useful for understanding the adhesion quality of oxide film during the hot-rolling process.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Coherent scattering of an atom in the field of a standing wave under conditions of initial quantum correlation of subsystems

Coherent scattering of a two-level atom in the field of a quantized standing wave of a micromaser is considered under conditions of initial quantum correlation between the atom and the field. Such a correlation can be produced by a broadband parametric source. The interaction leading to scattering of the atom from the nonuniform field occurs in the dispersion limit or in the wing of the absorption line of the atom. Apart from the quantized field, the atom simultaneously interacts with two classical counterpropagating waves with different frequencies, which are acting in the plane perpendicular to the atom’s propagation velocity and to the wavevector of the standing wave. Joint action of the quantized field and two classical waves induces effective two-photon and Raman resonance interaction on the working transition. The effective Hamiltonian of the interaction is derived using the unitary transformation method developed for a moving atom. A strong effect is detected, which makes it possible to distinguish the correlated initial state of the atom and the field in the scattering of atom from the state of independent systems. For all three waves, scattering is not observed when systems with quantum correlation are prepared using a high-intensity parametric source. Conversely, when the atom interacts only with the nonuniform field of the standing wave, scattering is not observed in the case of the initial factorized state.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Orthotropic Viscoelastic Modeling of Polymeric Battery Separator

The separator is one of the most important components for battery safety since its failure can cause short-circuit that may lead to thermal runaway. As such, understanding the mechanical behaviors of separators is critical to improve battery safety. Nevertheless, modeling the mechanical behaviors of separators is challenging since they usually depend on multiple factors such as orientation, temperature and strain rate due to the microstructure of separators. Here we develop an orthotropic linear viscoelastic model for separators, which takes both anisotropy and strain rate effects into account. This model is the first step of a future model that considers more factors such as temperature and large deformation. The model has been implemented as a user material model in a finite element package, where a discretization algorithm is developed to evaluate the stiffness-based hereditary integral with a kernel of Prony series. The user model has been applied to a polypropylene (PP) separator Celgard ® 2400. The simulation results agree well with experimental data, which include the rate dependent uniaxial tensile behavior of the separator in the two in-plane material directions and in shear, and the strain contour patterns of every strain component during biaxial tension.

25 ENERGY STORAGE↗
DOE OSTI2020

Reconstructing 3D Charge Depositions in the MicroBooNE Liquid Argon Time Projection Chamber using Convolutional Neural Networks

We have developed a convolutional neural network (CNN) that reconstructs the three dimensional location of ionization produced by charge particles traversing a wire-readout liquid argon time projection chamber (LArTPC) at MicroBooNE. This method is the first CNN application to reconstruct 3D space points directly from two dimensional images of the different wire plane views. I.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

T2-weighted four dimensional magnetic resonance imaging with result-driven phase sorting

Purpose: T2-weighted MRI provides excellent tumor-to-tissue contrast for target volume delineation in radiation therapy treatment planning. This study aims at developing a novel T2-weighted retrospective four dimensional magnetic resonance imaging (4D-MRI) phase sorting technique for imaging organ/tumor respiratory motion. Methods: A 2D fast T2-weighted half-Fourier acquisition single-shot turbo spin-echo MR sequence was used for image acquisition of 4D-MRI, with a frame rate of 2–3 frames/s. Respiratory motion was measured using an external breathing monitoring device. A phase sorting method was developed to sort the images by their corresponding respiratory phases. Besides, a result-driven strategy was applied to effectively utilize redundant images in the case when multiple images were allocated to a bin. This strategy, selecting the image with minimal amplitude error, will generate the most representative 4D-MRI. Since we are using a different image acquisition mode for 4D imaging (the sequential image acquisition scheme) with the conventionally used cine or helical image acquisition scheme, the 4D dataset sufficient condition was not obviously and directly predictable. An important challenge of the proposed technique was to determine the number of repeated scans (N{sub R}) required to obtain sufficient phase information at each slice position. To tackle this challenge, the authors first conducted computer simulations using real-time position management respiratory signals of the 29 cancer patients under an IRB-approved retrospective study to derive the relationships between N{sub R} and the following factors: number of slices (N{sub S}), number of 4D-MRI respiratory bins (N{sub B}), and starting phase at image acquisition (P{sub 0}). To validate the authors’ technique, 4D-MRI acquisition and reconstruction were simulated on a 4D digital extended cardiac-torso (XCAT) human phantom using simulation derived parameters. Twelve healthy volunteers were involved in an IRB-approved study to investigate the feasibility of this technique. Results: 4D data acquisition completeness (C{sub p}) increases as NR increases in an inverse-exponential fashion (C{sub p} = 100 − 99 × exp(−0.18 × N{sub R}), when N{sub B} = 6, fitted using 29 patients’ data). The N{sub R} required for 4D-MRI reconstruction (defined as achieving 95% completeness, C{sub p} = 95%, N{sub R} = N{sub R,95}) is proportional to N{sub B} (N{sub R,95} ∼ 2.86 × N{sub B}, r = 1.0), but independent of N{sub S} and P{sub 0}. Simulated XCAT 4D-MRI showed a clear pattern of respiratory motion. Tumor motion trajectories measured on 4D-MRI were comparable to the average input signal, with a mean relative amplitude error of 2.7% ± 2.9%. Reconstructed 4D-MRI for healthy volunteers illustrated clear respiratory motion on three orthogonal planes, with minimal image artifacts. The artifacts were presumably caused by breathing irregularity and incompleteness of data acquisition (95% acquired only). The mean relative amplitude error between critical structure trajectory and average breathing curve for 12 healthy volunteers is 2.5 ± 0.3 mm in superior–inferior direction. Conclusions: A novel T2-weighted retrospective phase sorting 4D-MRI technique has been developed and successfully applied on digital phantom and healthy volunteers.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

An unstructured body-of-revolution electromagnetic particle-in-cell algorithm with radial perfectly matched layers and dual polarizations

A novel electromagnetic particle-in-cell algorithm has been developed for fully kinetic plasma simulations on unstructured (irregular) meshes in complex body-of-revolution geometries. The algorithm, implemented in the BORPIC++ code, utilizes a set of field scalings and a coordinate mapping, reducing the Maxwell field problem in a cylindrical system to a Cartesian finite element Maxwell solver in the meridian plane. The latter obviates the cylindrical coordinate singularity in the symmetry axis. The choice of an unstructured finite element discretization enhances the geometrical flexibility of the BORPIC++ solver compared to the more traditional finite difference solvers. Symmetries in Maxwell’s equations are explored to decompose the problem into two dual polarization states with isomorphic representations that enable code reuse. The particle-in-cell scatter and gather steps preserve charge conservation at the discrete level. Our previous algorithm (BORPIC+) discretized the E and B field components of TE Φ and TM Φ polarizations on the finite element (primal) mesh. Here, we employ a new field-update scheme. Using the same finite element (primal) mesh, this scheme advances two sets of field components independently: (1) E and B of TE Φ polarized fields, (E z , E ρ , B Φ ) and (2) D and H of TM Φ polarized fields, (D Φ , H z , H ρ ). Since these field updates are not explicitly coupled, the new field solver obviates the coordinate singularity, which otherwise arises at the cylindrical symmetric axis, ρ = 0 when defining the discrete Hodge matrices (generalized finite element mass matrices). Here, a cylindrical perfectly matched layer is implemented as a boundary condition in the radial direction to simulate open space problems, with periodic boundary conditions in the axial direction. We investigate effects of charged particles moving next to the cylindrical perfectly matched layer. We model azimuthal currents arising from rotational motion of charged rings, which produce TMΦ polarized fields. Several numerical examples are provided to illustrate the first application of the algorithm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

A microstructural signature of the coesite-quartz transformation: New insights from high-pressure experiments and EBSD

Ultra-high pressure (UHP) metamorphism is difficult to identify in continental crust as few petrological barometers are suitable for dominantly felsic lithologies. In such cases, burial to extreme depths is commonly identified through the preservation of coesite, a high-pressure polymorph of SiO 2 that typically forms at depths exceeding ∼ 100 km (i.e., > 2 GPa pressure). Unfortunately, coesite readily transforms to quartz upon exhumation, meaning that UHP terranes may often be overlooked. While some studies have suggested that quartz may inherit an orientation signature indicative of former coesite, both the specific nature of this signature and the conditions favouring its development remain uncertain. Here, to address this problem, we combine electron backscatter diffraction analysis of natural and experimental samples to explore microstructural evolution across the coesite-quartz phase transformation. We demonstrate that neighbouring domains of quartz commonly feature an 84 ± 4° rotation of [c] axes around the pole of a common {m} plane. This orientation relationship is a product of epitaxy, whereby the {$11\bar{2}2$} Japan twin plane in quartz nucleates on the (010) plane in coesite. In supercell simulations, the nucleation of Japan twins can be explained by the energetically favourable alignment of quartz tetrahedra on parental coesite tetrahedra. Through experiments, we demonstrate that this signature emerges over a broad range of conditions, regardless of the availability of nucleation sites (e.g., grain boundaries) or the density of crystal lattice defects (e.g., dislocations). Overall, our work provides a quantitative and unambiguous tool for identifying UHP terranes from quartz in isolation.

Coesite↗
DOE OSTI2020

Density Functional Theory Study of the Adsorption and Dissociation of Copper(I) Acetamidinates on Ni(110): The Effect of the Substrate

In order to assess the role of a metal substrates on the thermal chemistry of adsorbed acetamidinate metalorganic compounds, we have studied the surface chemistry of copper(I)–N,N'-dimethylacetamidinate on Ni(110) using density functional theory and contrasted it with similar calculations we previously carried out on Cu(110). At low coverages, it was found that, in its most stable configuration, the molecular adsorption of copper(I)–N,N'-dimethylacetamidinate dimers occurs with the Cu atoms occupying surface hollow sites. In this work, the ligands reorient away from those metal centers, and the N atoms develop new direct bonds with surface Ni atoms. However, this configuration is not stable and decomposes by losing both ligands to the surface. In the final state, the two ligands bind via their N atoms to Ni sites one lattice space away from the sites where the Cu atoms remain, with their molecular planes perpendicular to that of the surface. This is in contrast with what happens in the case of adsorption on Cu(110), where the Cu atoms from the metalorganic complex still occupy hollow sites but where only one of the ligands breaks away and binds directly to the surface; the other remains on top of the two Cu ions. In terms of the energetics of adsorption and decomposition, the reactions on Ni(110) are much more exothermic than on Cu(110). Further analysis of the distribution of charge within the adsorbates shows a minor reduction of the Cu atoms of the dimer upon interaction with the surface; full reduction to metallic copper is complete only when both ligands have fully migrated to their new Ni surface sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Orbit-based analysis of nonlinear energetic ion dynamics in tokamaks. II. Mechanisms for rapid chirping and convective amplification

The nonlinear interactions between shear Alfvén modes and tangentially injected beam ions in the 150–400 keV range are studied numerically in realistic geometry for a JT-60U tokamak scenario. In Paper I, which was reported in the companion paper, the recently developed orbit-based resonance analysis method was used to track the resonant frequency of fast ions during their nonlinear evolution subject to large magnetic and electric drifts. Here, that method is applied to map the wave-particle power transfer from the canonical guiding center phase space into the frequency-radius plane, where it can be directly compared with the evolution of the fluctuation spectra of fast-ion-driven modes. Using this technique, we study the nonlinear dynamics of strongly driven shear Alfvén modes with low toroidal mode numbers n = 1 and n = 3. In the n = 3 case, both chirping and convective amplification can be attributed to the mode following the resonant frequency of the radially displaced particles, i.e., the usual one-dimensional phase locking process. In the n = 1 case, a new chirping mechanism is found, which involves multiple dimensions, namely, wave-particle trapping in the radial direction and phase mixing across velocity coordinates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Spin-orbit torque induced magnetization switching in Ta/Co{sub 20}Fe{sub 60}B{sub 20}/MgO structures under small in-plane magnetic fields

Spin-orbit torque (SOT)-induced magnetization switching under small in-plane magnetic fields in as-deposited and annealed Ta/CoFeB/MgO structures is studied. For the as-deposited samples, partial SOT-induced switching behavior is observed under an in-plane field of less than 100 Oe. Conversely, for the annealed samples, an in-plane field of 10 Oe is large enough to achieve full deterministic magnetization switching. The Dzyaloshinskii-Moriya interaction at the Ta/CoFeB interface is believed to be the main reason for the discrepancy of the requisite in-plane magnetic fields for switching in the as-deposited and annealed samples. In addition, asymmetric field dependence behavior of SOT-induced magnetization switching is observed in the annealed samples. Deterministic magnetization switching in the absence of an external magnetic field is obtained in the annealed samples, which is extremely important to develop SOT-based magnetoresistive random access memory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Composition analysis of coaxially grown InGaN multi quantum wells using scanning transmission electron microscopy

GaN nanotubes with coaxial InGaN quantum wells were analyzed by scanning transmission electron microscopy in order to determine their structural properties as well as the indium distribution across the InGaN quantum wells. For the latter, two process steps are necessary. First, a technique to prepare cross-sectional slices out of the nanotubes has been developed. Second, an existing scanning transmission electron microscopy analysis technique has been extended with respect to the special crystallographic orientation of this type of specimen. In particular, the shape of the nanotubes, their defect structure, and the incorporation of indium on different facets were investigated. The quantum wells preferentially grow on m-planes of the dodecagonally shaped nanotubes and on semipolar top facets while no significant indium signal was found on a-planes. An averaged indium concentration of 6% to 7% was found by scanning transmission electron microscopy analysis and could be confirmed by cathodoluminescence measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Magnetocrystalline anisotropy of Co 3 Si (001) films from first principles

The creation and control of magnetocrystalline anisotropy in bulk and nanostructured magnetic materials remain a continuing challenge, and density functional theory assists the experimental research in developing new high-anisotropy magnetic materials. Co 3 Si, which crystallizes in the hexagonal CdMg 3 structure (space group P63/mmc), is an intriguing magnetic material. For example, Co 3 Si nanoparticles exhibit high coercivities (17.4 kOe at 10 K and 4.3 kOe at 300 K) in spite of having an easy-plane anisotropy. Here, we used the Vienna ab-initio Simulation Package (VASP) to investigate the electronic structure and magnetic properties of bulk and thin-film Co 3 Si. We have also studied the thickness dependence of the magnetocrystalline anisotropy of Co 3 Si (001) thin films.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

X-ray diffraction strains in laser-ablated aluminum, nickel, sodium, and invar: Pressures to 475 GPa

Dynamically compressed materials in longitudinal waves are described by two physical models: hydrostatic pressure, with equal, normal, principal stresses or material uniaxially strained in the wave propagation direction. These models are disparate, so experimental comparisons and evaluations are important. Polycrystalline material in a state of hydrostatic pressure will have no eccentricity of x-ray-diffracted Debye–Scherrer rings. A general three-dimensional solution of Bragg diffracted x rays based on principal crystallographic strains in the compression wave was found. The distortion of x-ray diffraction beams has been used for strain measurements; the analysis developed incorporates a strained reciprocal lattice and the incident x-ray beam. Strain-distorted Polanyi surfaces form an annulus of compression with an ellipsoid of revolution in reciprocal space, which is intersected by Ewald's sphere for Bragg diffraction. The in situ measurements for strain describe nanosecond diffraction evaluated using two planes, (hkl) and (h′k′l′), both in the same crystallographic phase. Diffraction from Al, Ni, Na, and Invar quantifies the compression axial strains in these materials: The compression axial ratios are 0.65, 1.05, 0.88, and 1.58 at pressures of 291, 402, 409, and 367 GPa for the respective materials. Crystal structure transformations with homogeneous pressurized stresses, mandating equal normal strains, should not be anticipated to agree with heterogeneous, uniaxially strained, and sheared crystalline phases. Measurements support in-plane strains increasing with pressure, p , in fcc and hcp aluminum as ε 22 = −0.21 p /TPa.

Alloys↗
DOE OSTI2017

Probing nuclear effects using single-transverse kinematic imbalance with MINERvA

Kinematic imbalance of the final-state particles in the plane transverse to the neutrino direction provides a sensitive probe of nuclear effects. In this contribution, we report the MINERvA measurement of the single-transverse kinematic imbalance in neutrino charged-current quasielastic-like events on CH targets. Furthermore, to improve the momentum measurements of the final-state particles, we develop a method to select elastically scattering contained (ESC) protons and a general procedure to correct the transverse momentum scales.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

A Dynamic Trajectory Fit to Multisensor Fireball Observations

Meteorites with known orbital origins are key to our understanding of solar system formation and the source of life on Earth. Fireball networks have been developed globally in a unified effort to record and ultimately retrieve these cosmic samples. However, the accuracy of the determined orbit and the likelihood of meteorite recovery depend directly on the accuracy of the chosen meteoroid triangulation method. There are three leading techniques for meteoroid triangulation discussed in the literature: the method of planes, the straight-line least-squares method, and the multiparameter fit method. Here we describe an alternative method to meteoroid triangulation, called the dynamic trajectory fit. This approach uses the meteoroid’s 3D dynamic equations of motion to fit a realistic trajectory directly to multisensor line-of-sight observations. This method has the ability to resolve fragmentation events, fit systematic observatory timing offsets, and determine mass estimates of the meteoroid along its observable trajectory. Through a comprehensive Monte Carlo analysis of over 100,000 trajectory simulations, we find this new method to more accurately estimate meteoroid trajectories of slow entry events (<25 km s{sup −1}) and events observed from low convergence angles (<10°) compared to existing meteoroid triangulation techniques. Additionally, we triangulate an observed fireball event with visible fragmentation using the various triangulation methods to show that the proposed dynamic trajectory fit implementing fragmentation to best match the captured multisensor line-of-sight data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Development of a broadband reflective phase retarder to generate circularly polarized light for MTW-OPAL and multipetawatt lasers

Here, our research focuses on designing metallic coatings to create broadband all-reflective phase retarders that generate circularly polarized (CP) light for the MTW-OPAL Laser System while ensuring the desired polarization state on the target. This all-reflective phase retarder can function as a phase retarder when used in an out-of-plane configuration, whereas it acts as a normal mirror set in an in-plane configuration. If the polarization of the beam is not purely s- or p-polarized, however, mirrors will in general introduce retardance, and therefore compensators or polarization-independent mirror pairs are needed to ensure the desired polarization at the target plane.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Deformed Materials: Towards a Theory of Materials Morphology Dynamics

This grant supported work on the response of crystals to external stress. Our primary work described how disordered structural materials break in two (statistical models of fracture in disordered materials), studied models of deformation bursts (avalanches) that mediate deformation on the microscale, and developed continuum dislocation dynamics models for plastic deformation (as when scooping ice cream bends a spoon, Fig. 9). Glass is brittle -- it breaks with almost atomically smooth fracture surfaces. Many metals are ductile -- when they break, the fracture surface is locally sheared and stretched, and it is this damage that makes them hard to break. Bone and seashells are made of brittle material, but they are strong because they are disordered -- lots of little cracks form as they are sheared and near the fracture surface, diluting the external force. We have studied materials like bone and seashells using simulations, mathematical tools, and statistical mechanics models from physics. In particular, we studied the extreme values of fracture strengths (how likely will a beam in a bridge break far below its design strength), and found that the traditional engineering tools could be improved greatly. We also studied fascinating crackling-noise precursors -- systems which formed microcracks of a broad range of sizes before they broke. Ductile metals under stress undergo irreversible plastic deformation -- the planes of atoms must slide across one another (through the motion of dislocations) to change the overall shape in response to the external force. Microscopically, the dislocations in crystals move in bursts of a broad range of sizes (termed 'avalanches' in the statistical mechanics community, whose motion is deemed 'crackling noise'). In this grant period, we resolved a longstanding mystery about the average shape of avalanches of fixed duration (using tools related to an emergent scale invariance), we developed the fundamental theory describing the shapes of avalanches and how they are affected by the edges of the microscope viewing window, we found that slow creep of dislocations can trigger an oscillating response explaining recent experiments, we explained avalanches under external voltage, and we have studied how avalanches in experiments on the microscale relate to deformation of large samples. Inside the crystals forming the metal, the dislocations arrange into mysterious cellular structures, usually ignored in theories of plasticity. Writing a natural continuum theory for dislocation dynamics, we found that it spontaneously formed walls -- much like models of traffic jams and sonic booms. These walls formed rather realistic cellular structures, which we examined in great detail -- our walls formed fractal structures with fascinating scaling properties, related to those found in turbulent fluids. We found, however, that the numerical and mathematical tools available to solve our equations were not flexible enough to incorporate materials-specific information, and our models did not show the dislocation avalanches seen experimentally. In the last year of this grant, we wrote an invited review article, explaining how plastic flow in metals shares features with other stressed materials, and how tools of statistical physics used in these other systems might be crucial for understanding plasticity.

36 MATERIALS SCIENCE↗