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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Dynamic Symmetry Breaking in Chiral Magnetic Systems

The Dzyaloshinskii–Moriya interaction (DMI) in magnetic systems stabilizes spin textures with preferred chirality, applicable to next-generation memory and computing architectures. In perpendicularly magnetized heavy-metal/ferromagnet films, the interfacial DMI originating from structural inversion asymmetry and strong spin-orbit coupling favors chiral Néel-type domain walls (DWs) whose energetics and mobility remain at issue. Thus, a new effect is characterized in which domains expand unidirectionally in response to a combination of out-of-plane and in-plane magnetic fields, with the growth direction controlled by the in-plane field strength. These growth directionalities and symmetries with applied fields cannot be understood from static treatments alone. The authors theoretically demonstrate that perpendicular field torques stabilize steady-state magnetization profiles highly asymmetric in elastic energy, resulting in a dynamic symmetry breaking consistent with the experimental findings. This phenomenon sheds light on the mechanisms governing the dynamics of Néel-type DWs and expands the utility of field-driven DW motion to probe and control chiral DWs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Elastic interaction-induced anisotropic growth of dislocation loop arrays

The elastic interactions and reactions of dislocations lead to the formation of complex dislocation substructures, which is critical to the strain hardening and fatigue failure. Phase field dislocation dynamics simulations are conducted as a first step to understand the elastic interactions between dislocation loops. When the interloop spacing is small, the elastic interactions with neighboring loops become strong, rendering the edge segments strongly pinned, while allowing for the screw segments to propagate more easily. The interactions are found to result in an anisotropic stress distribution around the dislocation loops, leading to the formation of arrays of long, straight edge dislocations that could act as barriers to subsequent slip. Furthermore, the effect of initial loop size and applied strain rate on the elastic interaction-induced anisotropic pinning effect is investigated and discussed. Furthermore, the results are important for coarse-graining dislocation substructures formation into continuum level models of deformation in crystalline solids.

36 MATERIALS SCIENCE↗
NASA NTRS1991

A finite element approach for the dynamic analysis of joint-dominated structures

A finite element method to model dynamic structural systems undergoing large rotations is presented. The dynamic systems are composed of rigid joint bodies and flexible beam elements. The configurations of these systems are subject to change due to the relative motion in the joints among interconnected elastic beams. A body fixed reference is defined for each joint body to describe the joint body's displacements. Using the finite element method and the kinematic relations between each flexible element and its corotational reference, the total displacement field of an element, which contains gross rigid as well as elastic effects, can be derived in terms of the translational and rotational displacements of the two end nodes. If one end of an element is hinged to a joint body, the joint body's displacements and the hinge degree of freedom at the end are used to represent the nodal displacements. This results in a highly coupled system of differential equations written in terms of hinge degrees of freedom as well as the rotational and translational displacements of joint bodies and element nodes.

Chang, Che-Wei↗
DOE OSTI2022

The effect of stress on the migration of He gas bubbles under a thermal gradient in Fe by phase-field modeling

Here a phase-field model is parameterized to study the effect of elastic stresses on the migration of He gas bubbles in Fe under a temperature gradient. Stresses caused by the gas bubble pressure and residual stress in the Fe matrix are considered. The dependence of He bubble migration velocity on the magnitude of the residual stress, average temperature, temperature gradient, and bubble size is measured. In agreement with a theoretical model based on surface diffusion, simulation results demonstrate that He bubbles move towards the high temperature region with velocities in Fe that are orders of magnitude faster than previously reported in UO 2 . It is found that local stresses in the matrix caused by the He bubble have negligible effect on the bubble migration process; however, residual stresses in the Fe matrix, potentially caused by processing or irradiation, can modestly modify bubble kinetics through pressure dependence of the He diffusion coefficients. Compressive residual stress decreases diffusion coefficients for bulk and surface diffusion mechanisms, thus reducing the migration velocity of the gas bubble. In contrast, tensile residual stress increases the diffusion coefficients, resulting in an increase in the gas bubble migration velocity. This pressure dependence is also consistent with a theoretical model. This phase field model lays the foundation for analysis of bubble coalescence-induced fracture in He bubble-containing steels.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Magnetoelastic sensing apparatus and method for remote pressure query of an environment

A pressure sensing apparatus for operative arrangement within an environment, having: a sensor comprising a hermetically-sealed receptacle, at least one side of which has an flexible membrane to which a magnetically hard element is attached. Enclosed within the receptacle is a magnetostrictive element that vibrates in response to a time-varying magnetic field. Also included is a receiver to measure a plurality of successive values for magneto-elastic emission intensity of the sensor taken over an operating range of successive interrogation frequencies to identify a resonant frequency value for the sensor. Additional features include: (a) the magnetically hard element may be adhered to an inner or outer side of, or embedded within, the membrane; (b) the magnetostrictive element can include one or more of a variety of different pre-formed, hardened regions; (c) the magneto-elastic emission may be a primarily acoustic or electromagnetic emission; and (d) in the event the time-varying magnetic field is emitted as a single pulse or series of pulses, the receiver unit can detect a transitory time-response of the emission intensity of each pulse (detected after a threshold amplitude value for the transitory time-response is observed). A Fourier transform of the time-response can yield results in the frequency domain. Also, an associated method of sensing pressure of an environment is included that uses a sensor having a magnetostrictive element to identify a magneto-elastic resonant frequency value therefore. Using the magneto-elastic resonant frequency value identified, a value for the pressure of the environment can be identified.

Grimes, Craig A.↗
DOE OSTI2020

Polycrystal thermo-elasticity revisited: theory and applications

The self-consistent (SC) theory is the most commonly used mean-field homogenization method to estimate the mechanical response behavior of polycrystals based on the knowledge of the properties and orientation distribution of constituent single-crystal grains. The original elastic SC method can be extended to thermo-elasticity by adding a stress-free strain to an elastic constitutive relation that expresses stress as a linear function of strain. With the addition of this independent term, the problem remains linear. Although the thermo-elastic self-consistent (TESC) model has important theoretical implications for the development of self-consistent homogenization of non-linear polycrystals, in this paper, we focus on TESC applications to actual thermo-elastic problems involving non-cubic (i.e. thermally anisotropic) materials. To achieve this aim, here we provide a thorough description of the TESC theory, which is followed by illustrative examples involving cooling of polycrystalline non-cubic metals. The TESC model allows studying the effect of crystallographic texture and single-crystal elastic and thermal anisotropy on the effective thermo-elastic response of the aggregate and on the internal stresses that develop at the local level.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deformed waveshape of quantum oscillation in magnetocaloric effect for layered organic superconductor.

Magnetocaloric effect for a layered organic superconductor beta ''-(BEDT-TTF)(2)SF5CH2CF2SO3 has been investigated. At low magnetic fields, a sinusoidal quantum oscillation, arising from a closed Fermi surface, is observed. As the field increases, the waveshape of the oscillation is strongly deformed and then sharp peaks emerge. The total energy including the Landau quantized states and the elastic energy of the leads holding the sample is calculated as a function of field strength and angle, and the minimum total energy, which determines the sample angle, is obtained as a function of field. The calculated results clarify that the deformation of the quantum oscillation is ascribed to a tilting effect of the sample by the magnetic torque.

Sugiura, Shiori↗
DOE OSTI2025

Asymmetry of the Ferroelectric Phase Transition in BaTiO 3

Symmetry changes during phase transformations fundamentally determine the behavior of thermodynamic systems, governing phenomena as diverse as water evaporation, fermion condensation, and epidemic spreading. Phase transitions are conventionally divided into two classes, and this classification is typically assumed to remain invariant upon reversing the transition. Here, an asymmetric phase transformation is uncovered in the ferroelectric–paraelectric transition of single-crystal BaTiO 3 , a model system for first-order transitions. Under slow temperature variation (≤0.1 °C min −1 ), thermodynamic, dielectric, and domain-structure measurements reveal that the ferroelectric-to-paraelectric transition exhibits latent heat, phase coexistence, and a discontinuous order parameter, while these signatures are absent upon cooling. Complementary phase-field simulations demonstrate similar behavior, attributing it to distinct elastic strain energy accumulation and release during heating and cooling. These findings reveal a first-order character upon heating but a second-order-like behavior upon cooling, challenging the conventional paradigm of symmetric phase-transition classification and suggesting new possibilities for ferroelectric-based energy storage.

Hershkovitz, Asaf [Technion-Israel Institute of Te↗
DOE OSTI2026

Revealing the Defect‐Driven Ferroelectric Mechanisms of Aluminum Nitride

Wurtzite III-nitride compounds are CMOS-compatible with widespread industrial interest to exercise ferroelectricity, despite their polar structure being highly resistant to polarization reversal. Here, we induce and tune ferroelectric properties in w-AlN via direct-write ion-beam processing, using nanoscale patterned defect engineering as a post-growth alternative to conventional cation substitution. Nanometric piezoresponse spectroscopy of the focused He + beam patterned defect concentrations in ferroelectric Al 0.92 B 0.08 N measures a localized 10x enhancement in effective piezoresponse and 40% reduction in switching barrier. The irradiation-induced point defects convert piezoelectric AlN into a ferroelectric system with site-saturated nucleation and raise the dielectric susceptibility, switched polarization, and effective piezoelectric coefficient. Enhanced defect-lattice interactions in AlN increase carrier conduction and phonon scattering loss but preserve long-range crystallinity. Here, based on atomistic analysis of nudged elastic band density functional theory calculations and reactive force field simulations, both nitrogen vacancies and defect complexes disrupt bond ordering, facilitating a line-by-line low-barrier switching of pristine AlN.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Modeling the contributions to acoustic nonlinearity from complex dislocation networks using 3D dislocation dynamics

Nonlinear ultrasonic parameters are highly sensitive to microstructural features that affect macroscale material behavior, providing a nondestructive means to characterize their evolution. Although dislocations are known to be a strong source of acoustic nonlinearity, establishing quantitative links between the acoustic nonlinearity parameter (β), measured via Second Harmonic Generation, and dislocation morphology—such as dislocation length and density—remains an open challenge. This work advances the numerical modeling of dislocation–β relationships using 3D dislocation dynamics (DD) simulations in two approaches: a “static” method computing strain and stress fields from dislocation configurations in the absence of external loading, and a “quasi-static” method to estimate β from the curvature of dislocation lines under applied load. First, the static method is combined with finite element analysis to investigate a recent assertion that heterogeneous initial strain fields can induce higher harmonic generation in a linear elastic medium; the present results do not corroborate this outcome. Then, the quasi-static method is applied to multiple-dislocation scenarios through parametric studies, revealing behaviors not predicted by analytical models, such as the competing interactions of edge and screw dislocations and the significant influence of applied stress on β. Finally, the simulations are used to model SHG experimental results and validate the hypothesis that β can decrease during plastic deformation, despite increasing dislocation density. As the DD code used here is open-source, it provides a practical platform for future investigation into microstructure–β relationships important to the interpretation of SHG results.

Materials science↗
DOE OSTI2025

PyDislocDyn: A Python code for calculating dislocation drag and other crystal properties

PyDislocDyn is a suite of python programs designed to perform various calculations for dislocation dynamics in the continuum limit. In particular, one of its main purposes is to calculate dislocation drag from phonon wind. Additional features include the averaging of elastic constants for polycrystals, the calculation of the dislocation field including its limiting velocities, and the calculation of dislocation self-energy and line tension.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Diffusion Behavior of Oversized Fission Products in bcc Fe Cladding: A First-Principles Study

Fuel-Cladding Chemical Interaction (FCCI) poses significant challenges in nuclear reactors, where fission products from nuclear fuel interact with Fe-based cladding materials, potentially compromising their structural integrity. This study investigates the diffusion behavior of oversized fission products, Pr, Nd, Ce, and La, within bcc Fe cladding using density functional theory (DFT), nudged elastic band (NEB) method, and self-consistent mean field (SCMF) theory. Our results reveal significant long-range vacancy binding energies, particularly up to the 6th nearest neighbor, with La exhibiting the strongest binding affinity, followed by Nd, Ce, and Pr. The NEB calculations indicate significant high barriers for the dissociation of 1nn vacancy-solute pairs for all fission products. The tracer diffusion coefficients of these fission products was derived in Arrhenius form. The significant trapping effect of vacancies by a very dilute amount of fission products reduces vacancy mobility, leading to an oversaturation of point defects, void nucleation, and swelling. These are critical issues for irradiated cladding materials. The tracer diffusion coefficients indicate that Nd diffuses the fastest, followed by La, Ce, and Pr. This study provides essential insights for developing advanced cladding materials and design strategies to mitigate FCCI, ultimately enhancing nuclear reactor safety and performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1964

Pressurized star crack.

Stress and displacement fields resulting from star cracks in pressurized infinite thin elastic plate, utilizing mellin transforms

ELASTIC DEFORMATION↗
NASA NTRS1982

Boundary-layer effects in composite laminates. I - Free-edge stress singularities. II - Free-edge stress solutions and basic characteristics

The fundamental nature of the boundary-layer effect in fiber-reinforced composite laminates is formulated in terms of the theory of anisotropic elasticity. The basic structure of the boundary-layer field solution is obtained by using Lekhnitskii's stress potentials (1963). The boundary-layer stress field is found to be singular at composite laminate edges, and the exact order or strength of the boundary layer stress singularity is determined using an eigenfunction expansion method. A complete solution to the boundary-layer problem is then derived, and the convergence and accuracy of the solution are analyzed, comparing results with existing approximate numerical solutions. The solution method is demonstrated for a symmetric graphite-epoxy composite.

Wang, S. S.↗
NASA NTRS1989

Mechanics of graben formation in crustal rocks - A finite element analysis

The mechanics of the initial stages of graben formation are examined, showing that the configuration of a graben (a pair of antithetically dipping normal faults) is the most energetically favorable fault configuration in elastic-brittle rocks subjected to pure extension. The stress field in the vicinity of a single initial normal fault is computed with a two-dimensional FEM. It is concluded that the major factor controlling graben width is the depth of the initial fault.

Melosh, H. J.↗
NASA NTRS1993

Air-mass flux measurement system using Doppler-shifted filtered Rayleigh scattering

An optical system has been investigated to measure mass flux distributions in the inlet of a high speed air-breathing propulsion system. Rayleigh scattered light from air is proportional to the number density of molecules and hence can be used to ascertain the gas density in a calibrated system. Velocity field measurements are achieved by spectrally filtering the elastically-scattered Doppler-shifted light with an absorbing molecular filter. A novel anamorphic optical collection system is used which allows optical rays from different scattering angles, that have different Doppler shifts, to be recorded separately. This is shown to obviate the need to tune the laser through the absorption to determine velocities, while retaining the ability to make spatially-resolved measurements along a line. By properly selecting the laser tuning and filter parameters, simultaneous density measurements can be made. These properties are discussed in the paper and experiments demonstrating the velocimetry capability are described.

Shirley, John A.↗
NASA NTRS2004

Predicting Hall Thruster Operational Lifetime

A simple analytic model predicted Hall thruster channel erosion based on thruster geometry, operating conditions, and magnetic field configuration. This model relied on a one-dimensional representation of the plasma with a fixed ionization fraction and variable ion energies based on the magnetic field distribution. Sputtering was modeled as the result of elastic scattering of ions by neutrals within the channel. Not all scattered ions and neutrals were assumed to reach the channel walls as a result of additional subsequent scattering events. Incorporating this phenomenon resulted in a greater predicted decrease in erosion rate with time than predicted based only on geometric effects. Results from this model were compared to SPT 100 experimental erosion data.

Manzella, David↗