Search NASA⌕ Search

SEARCH · Search NASA

Results for “deformation function”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

ECCI analysis of shear accommodations at grain boundaries in commercially pure alpha titanium

This study uses a novel approach that couples electron channeling contrast imaging (ECCI) with controlled removal of surface material to investigate the slip system/grain boundary interactions by assessing the geometry of slip planes and grain boundaries as a function of depth. The comparison of spacing, relative distributions, and correlations of slip bands across grain boundaries reveals surface biasing on the slip band behavior in the grain boundary region. Furthermore, using analysis of the compatibility factor m’, the Schmid factor of each slip system, and the angles θ between slip planes, a more comprehensive understanding of the details of the mechanisms of strain transfer and heterogeneous deformation is developed. In general, the misalignment of primary slip systems on the grain boundary planes necessitates the activation of secondary accommodating slip systems close to the grain boundary area that are better aligned (higher m’ and lower θ) with respect to the incoming slip system across the grain boundary. Such systems have the same Burgers vector as the primary slip systems within the respective grains, but are typically on low mobility slip planes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

WE-AB-BRA-08: Correction of Patient Motion in C-Arm Cone-Beam CT Using 3D-2D Registration

Purpose: Intraoperative C-arm cone-beam CT (CBCT) is subject to artifacts arising from patient motion during the fairly long (∼5–20 s) scan times. We present a fiducial free method to mitigate motion artifacts using 3D-2D image registration that simultaneously corrects residual errors in geometric calibration. Methods: A 3D-2D registration process was used to register each projection to DRRs computed from the 3D image by maximizing gradient orientation (GO) using the CMA-ES optimizer. The resulting rigid 6 DOF transforms were applied to the system projection matrices, and a 3D image was reconstructed via model-based image reconstruction (MBIR, which accommodates the resulting noncircular orbit). Experiments were conducted using a Zeego robotic C-arm (20 s, 200°, 496 projections) to image a head phantom undergoing various types of motion: 1) 5° lateral motion; 2) 15° lateral motion; and 3) 5° lateral motion with 10 mm periodic inferior-superior motion. Images were reconstructed using a penalized likelihood (PL) objective function, and structural similarity (SSIM) was measured for axial slices of the reconstructed images. A motion-free image was acquired using the same protocol for comparison. Results: There was significant improvement (p < 0.001) in the SSIM of the motion-corrected (MC) images compared to uncorrected images. The SSIM in MC-PL images was >0.99, indicating near identity to the motion-free reference. The point spread function (PSF) measured from a wire in the phantom was restored to that of the reference in each case. Conclusion: The 3D-2D registration method provides a robust framework for mitigation of motion artifacts and is expected to hold for applications in the head, pelvis, and extremities with reasonably constrained operative setup. Further improvement can be achieved by incorporating multiple rigid components and non-rigid deformation within the framework. The method is highly parallelizable and could in principle be run with every acquisition. Research supported by National Institutes of Health Grant No. R01-EB-017226 and academic-industry partnership with Siemens Healthcare (AX Division, Forcheim, Germany).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Properties of Dislocation Drag from Phonon Wind at Ambient Conditions

It is well known that, under plastic deformation, dislocations are not only created but also move through the crystal, and their mobility is impeded by their interaction with the crystal structure. At high stress and temperature, this “drag” is dominated by phonon wind, i.e., phonons scattering off dislocations. Employing the semi-isotropic approach discussed in detail in a previous paper (J. Phys. Chem. Solids 2019, 124, 24–35), we discuss here the approximate functional dependence of dislocation drag B on dislocation velocity in various regimes between a few percent of transverse sound speed c T and c T (where c T is the effective average transverse sound speed of the polycrystal). In doing so, we find an effective functional form for dislocation drag B ( v ) for different slip systems and dislocation characters at fixed (room) temperature and low pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Meshfree Methods

Meshfree methods have undergone substantial development and have received much attention in the last two decades. This new family of numerical methods is designed to inherit the main advantages of the finite element method such as compact supports of shape functions and good approximation properties while, at the same time, overcome the main disadvantages of the finite element method caused by the mesh dependence. The meshfree methods share a common feature that no mesh is needed and shape functions are constructed from sets of points, thus eliminating the need for time consuming mesh generation. The most significant advantage of meshfree methods is the flexibility in customizing approximation functions for desired regularity and for capturing essential physics and features of the particular problems of interest. Adaptivity formulation and multiple-scale solution strategies also can be implemented with relative ease. It has become clear that the meshfree methods provide considerable advantages over the conventional finite element methods in solving problems involving moving discontinuities, evolving material interfaces, multiple-scale phenomena, large material distortion and structural deformation, and fracture and damage processes. This Chapter gives an overview of many classes of meshfree methods, with more detailed discussions on Smoothed Particle Hydrodynamics (SPH), the Reproducing Kernel Particle Method (RKPM), Peridynamics (PD), the Material Point Method (MPM), as well as their applications in various challenging engineering problems.2

Chen, Jiun-Shyan↗
DOE OSTI2025

Diffusion and Deformation Mechanism Maps in Li Metal from Atomistic Simulations

The rate of Li transport in the Li metal anode is important for the operation of Li metal-solid state batteries. Here, transport rates due to diffusion and creep are predicted in Li using atomistic simulations. First, molecular dynamics is used to estimate the rate of Li diffusion along dislocations and in grain boundary triple junctions. By combining this data with that from a prior study of grain boundary diffusion the dominant mechanisms and rates of self-diffusion in Li polycrystals are predicted as a function of grain size, grain shape, dislocation density, and temperature. Second, the dominant creep mechanisms are predicted and used to estimate critical current densities and void annihilation times. Grain boundary sliding and coble creep are the dominant mechanisms for micron-sized grains. Lastly, a continuum model for interfacial contact loss reveals that high dislocation densities of ∼10 12 /cm 2 enable achieving battery performance targets for Li grain sizes of ∼10 μm.

Batteries↗
DOE OSTI2016

Shock interaction with deformable particles using a constrained interface reinitialization scheme

In this paper, we present axisymmetric numerical simulations of shock propagation in nitromethane over an aluminum particle for post-shock pressures up to 10 GPa. We use the Mie-Gruneisen equation of state to describe both the medium and the particle. The numerical method is a finite-volume based solver on a Cartesian grid, that allows for multi-material interfaces and shocks, and uses a novel constrained reinitialization scheme to precisely preserve particle mass and volume. We compute the unsteady inviscid drag coefficient as a function of time, and show that when normalized by post-shock conditions, the maximum drag coefficient decreases with increasing post-shock pressure. We also compute the mass-averaged particle pressure and show that the observed oscillations inside the particle are on the particle-acoustic time scale. Finally, we present simplified point-particle models that can be used for macroscale simulations. In the Appendix, we extend the isothermal or isentropic assumption concerning the point-force models to non-ideal equations of state, thus justifying their use for the current problem.

Sridharan, P. (ORCID:0000000287902423)↗
DOE OSTI2024

Effect of non-uniform void distributions on the yielding of metals

High-throughput (several thousand) calculations have been carried out to investigate the yield behavior of porous materials with randomly distributed pores, porosity levels over four orders of magnitude and up to a hundred pores per simulation box. To this end, a Galerkin based fast Fourier transform (FFT) formulation was enhanced to deal with high phase contrast materials. In addition, GPU parallelization was employed in solving the governing equation for strain fluctuations using a Krylov iterative solver. Emphasis is laid on the conditions under which percolation of plastically non-deforming zones through the porous network emerge, a regime termed unhomogeneous yielding. By way of contrast, the regime where the plastic strain fluctuations (associated with the heterogeneous void-matrix aggregate) fall below the percolation threshold is defined as homogeneous yielding. Here, we find that nonuniform pore distributions only affect unhomogeneous yielding and have a universal softening effect. The extent of this distribution softening is analyzed as a function of porosity, cell size and number of realizations. Whether the uncovered universal distribution softening has direct implications on failure resistance of porous materials is discussed.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2017

Formulation and validation of a reduced order model of 2D materials exhibiting a two-phase microstructure as applied to graphene oxide [Formulation and validation of a reduced order model of 2D materials exhibiting a two-phase microstructure]

Novel 2D materials, e.g., graphene oxide (GO), are attractive building blocks in the design of advanced materials due to their reactive chemistry, which can enhance interfacial interactions while providing good in-plane mechanical properties. Recent studies have hypothesized that the randomly distributed two-phase microstructure of GO, which arises due to its oxidized chemistry, leads to differences in nano- vs meso–scale mechanical responses. However, this effect has not been carefully studied using molecular dynamics due to computational limitations. Herein, a continuum mechanics model, formulated based on density functional based tight binding (DFTB) constitutive results for GO nano-flakes, is establish for capturing the effect of oxidation patterns on the material mechanical properties. GO is idealized as a continuum heterogeneous two-phase material, where the mechanical response of each phase, graphitic and oxidized, is informed from DFTB simulations. A finite element implementation of the model is validated via MD simulations and then used to investigate the existence of GO representative volume elements (RVE). We find that for the studied GO, an RVE behavior arises for monolayer sizes in excess to 40 nm. Moreover, we reveal that the response of monolayers with two main different functional chemistries, epoxide-rich and hydroxyl–rich, present distinct differences in mechanical behavior. In addition, we explored the role of defect density in GO, and validate the applicability of the model to larger length scales by predicting membrane deflection behavior, in close agreement with previous experimental and theoretical observations. As such the work presents a reduced order modeling framework applicable in the study of mechanical properties and deformation mechanisms in 2D multiphase materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The effect of aspect ratio on the mechanical behavior of Li metal in solid-state cells

The Li metal anode is necessary for solid-state batteries to dramatically exceed the energy density of state-of-the-art conventional Li-ion batteries. To enable the Li metal anode, the mechanical properties of Li metal under compression in a commercially relevant cell configuration must be determined. This work examines the compression creep behavior of Li metal coupled with a relevant model solid-state electrolyte (Li 6.5 La 3 Ta 0.5 Zr 1.5 O 12 ) and current collector (Ni) as a function of applied stress (1–10 MPa) and Li foil thickness (100–700 μm). At 1 MPa applied stress, the strain rate of all Li foil thicknesses under compression was almost four orders of magnitude lower than what is predicted from tensile creep tests. Steady-state creep behavior was observed for Li foil ≥350 μm at 5 MPa and ≥250 μm at 10 MPa. Conversely, sustained creep deformation was not observed for 100 and 150 μm Li foils at any applied stress. It is suggested that friction at the Li/LLZO and Li/Ni interfaces leads to the formation of hydrostatic stress that controls Li deformation at low aspect ratios. Finally, these results have implications for battery pack stack pressure requirements, particularly relating to void formation during stripping and Li metal filament penetration during plating.

25 ENERGY STORAGE↗
DOE OSTI2025

Regulating hydrogel mechanical properties with an electric field

Stimuli-responsive polymeric materials have attracted significant attention due to their ability to change properties in response to various external stimuli. Using an electric field as the stimulus is of particular interest as it possesses the potential for seamless integration of materials with electronic systems. While many materials with electric field responsive actuation have an associated mechanical property change, it is beneficial to develop materials that exhibit mechanical property changes without accompanying significant shape deformation. To address this challenge, here we designed a semi-interpenetrating polymer network (semi-IPN) hydrogel system containing both polyelectrolytes and salt ions, which enables electric field induced changes in mechanical properties while minimizing actuation. We first successfully verified the viability of our design by removing salt ions through a diffusion-only method where we witnessed the stiffness increased to 4.5 times the initial value while still being highly deformable. After this, we applied an electric field to transport the salt ions out of the hydrogel, as shown by both Raman spectroscopy and scanning electron microscopy. We were able to show a time-dependent stiffness increase, the maximum of which was 5 times the original stiffness. We quantified ion transport and water-splitting in the hydrogel by both experiments and simulations. Following this, we showed functional system reversibility by reversing the direction of the current to reinject salt ions into the semi-IPN hydrogel and reducing its stiffness to below the initial value. It's worth noting that our simulations enable us to understand the governing mechanisms behind ion generation and salt transport that leads to mechanical property changes. Finally, we were able to fabricate a spatially variable stiffness haptic interface with our hydrogel, with demonstrated reversibility and cyclability. This research can possibly find applications in soft robotics and haptics and also inspire the development of bio-compatible electronics related devices.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Valley-dependent Lorentz force and Aharonov-Bohm phase in strained graphene p - n junction

Veselago lens focusing in graphene p-n junction is promising for realizations of new generation electron optics devices. However, the effect of the strain-induced Aharonov-Bohm interference in a p-n junction has not been discussed before. We provide an experimentally feasible setup based on the Veselago lens in which the presence of strain can result in both the valley-dependent Lorentz force and Aharonov-Bohm interference. Inparticular, by employing the Green’s function and tight-binding methods, we study the strain induced by dislocations and line defects in a p-n junction and show how the resulting Aharonov-Bohm phase and interference can be detected. Furthermore, for a different strain configuration, e.g., corresponding to corrugated graphene, we find strong signatures of valley splitting induced by the fictitious magnetic field. Our proposal can be useful for mapping elastic deformations and defects, and for studying valley-dependent effects in graphene.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Numerical Analysis of Regular Material Point Method and its Application to Multiphase Flows

The material point method (MPM) is gaining wide popularity in engineering research to model and simulate complex multiphase flow dynamics. The method relies on solving the governing equations of motion and transport in a Lagrangian framework using particles also known as material points. The fluid and kinematic properties are stored on the material points while the spatial gradient calculation and temporal integration are performed on a background grid. This Lagrangian framework allows for large deformations, easy integration of constitutive models, and direct import of complex geometries as particles. However, despite their increasing popularity, very few studies have addressed the issues of numerical resolution and stability of MPM techniques. The presence of additional factors such as the number of material points-per-cell, the location of the material points, the CFL-like condition used in time update, and the grid shape functions also increase the complexity of the error analysis when compared to other finite element methods. In this presentation, we analyze the various forms of error incurred in the application of MPM to continuum mechanics and multiphase flows. The effect of the previously mentioned factors on the error dynamics is studied. The application of these principles to canonical and industrial problems is also presented.

high pressure reverse osmosis↗
DOE OSTI2022

Microstructural modification of a high-pressure die-cast A380 alloy through friction stir processing and its effect on mechanical properties

Aluminum alloy A380 is one of the major high-pressure die-cast (HPDC) alloys fabricated in the die casting sector. However, microstructural features such as shrinkage and gas porosity, entrapped oxide inclusions, change in the morphology of eutectic Si particles as a function of casting location, and the presence of multiple second phase particulates, especially Fe-bearing phases in HPDC A380 alloy results in limited ductility, thus, affecting its structural application. However, through proper modification of the as-cast microstructure, it is possible to improve the mechanical performance of alloy A380. In this study, we report the effect of friction stir processing (FSP), a well-known severe plastic deformation (SPD) and thermomechanical processing tool for selective microstructural modification, on A380. FSP effectively refines the as-cast microstructure and breaks down the coarse Si particles, creating a homogenized distribution of equiaxed Si particles in the aluminum matrix. Additionally, FSP eliminates porosity that acts as crack initiation sites, leading to improved mechanical strength and ductility.

Friction stir processing, Aluminum alloys, Mechani↗
DOE OSTI2019

Preferred states of open electronic systems

System-environment interaction may introduce dynamic destruction of quantum coherence, resulting in a special representation named as pointer states. In this work, pointer states of an open electronic system are studied. The decoherence effect is taken into account through two different ways which are Büttiker's virtual probe model and strong electron-phonon interaction in the polaron picture. The pointer states of the system with different coupling strength are investigated. Here, the pointer states are identified by tracking the eigenstates of the density matrix in real-time propagation. It is found that the pointer states can emerge for arbitrary coupling strength. And the pointer states deform to the eigenstates of the system in the strong coupling limit, which indicates the vanish of quantumness in the strong coupling limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Microscopic description of the torque acting on fission fragments

When two fragments are created in a fission decay, any torque due to nuclear and Coulomb interaction can change the fragment's angular momentum. This paper explores the character and magnitude of the angular momentum as a function of the initial conditions around the scission point using the time-dependent Hartree-Fock theory. To understand the torque acting on the fragments, the Frozen Hartree-Fock method is also used to determine the collective potential at scission. Two 240 Pu fission channels ( 132 Sn + 108 Ru and 144 Ba + 96 Sr) are studied. Further, these two channels cover different shapes (spherical, quadrupole, and octupole deformation) of the fragments. It is found that the angular momentum generated by the Coulomb interaction after fission is mainly collective, while this is not the case for the angular momentum generated at scission. The competition between rotational modes (bending, wriggling, and twisting) is discussed and shows that the angular momentum is generated mainly perpendicular to the fission axis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

RF signature detection for waveguide deformation

A radio frequency (RF) based waveguide health monitoring system is disclosed. The system employs an RF transmitter for launching a probe RF waveform into a waveguide. Reflections, etc., from the interior of the waveguide of the probe RF waveform create a signature RF waveform, with a health RF receiver receiving this resultant signature RF waveform. A health processing system analyzes the signature RF waveform, and when it detects a change indicative of a deformation of the waveguide, generates a warning signal. This change may be due to bends, flexes, vibrations (or changes in vibrations), or separations of the waveguide. The system may have low frequency, high frequency, or high frequency imaging modes. The system may employ a high-power probe RF waveform, thereby enabling a wireless charging system with power RF receivers located along the length of the waveguide providing additional functionality.

Curtis, Shane Keawe↗
DOE OSTI2019

A study of quantum field theories in AdS at finite coupling

We study the $O(N)$ and Gross-Neveu models at large $N$ on AdS$_{d+1}$ background. Thanks to the isometries of AdS, the observables in these theories are constrained by the SO$(d,2)$ conformal group even in the presence of mass deformations, as was discussed by Callan and Wilczek, and provide an interesting two-parameter family of quantities which interpolate between the S-matrices in flat space and the correlators in CFT with a boundary. For the actual computation, we judiciously use the spectral representation to resum loop diagrams in the bulk. After the resummation, the AdS $4$-particle scattering amplitude is given in terms of a single unknown function of the spectral parameter. We then "bootstrap" the unknown function by requiring the absence of double-trace operators in the boundary OPE. Our results are at leading nontrivial order in $\frac{1}{N}$, and include the full dependence on the quartic coupling, the mass parameters, and the AdS radius. In the bosonic $O(N)$ model we study both the massive phase and the symmetry-breaking phase, which exists even in AdS$_2$ evading Coleman's theorem, and identify the AdS analogue of a resonance in flat space. We then propose that symmetry breaking in AdS implies the existence of a conformal manifold in the boundary conformal theory. We also provide evidence for the existence of a critical point with bulk conformal symmetry, matching existing results and finding new ones for the conformal boundary conditions of the critical theories. For the Gross-Neveu model we find a bound state, which interpolates between the familiar bound state in flat space and the displacement operator at the critical point.

Resummation↗
DOE OSTI2022

“Self-trapping” in solar cell hybrid inorganic-organic perovskite absorbers

In the simplest picture, a “self-trapped” polaron forms when an excess electron or hole deforms a crystal lattice, creating a potential well with bound states. Properties of self-trapped polarons in methylammonium lead iodide perovskite (MAPbI 3 ), which is widely used as solar cell absorber, are of great interest, and are a subject of ongoing investigations and debates concerning the existence of large polarons with the co-presence of metastable self-trapping. Herein, we employ a self-interaction-free density functional theory method to investigate the stability of small polarons in tetragonal MAPbI 3 phase. The electron small polaron is found to be unstable, while the hole small polaron is found to be metastable at realistic operation temperatures of solar cells. Further, the hole polaron is found to have a hole band close to the conduction band, which in conjunction with its metastability suggests that small polarons will have an appreciable effect on charge-carrier recombinations in MAPbI 3 . Further, in this study, we posit that the existence of the metastable polarons in addition to the large polarons may explain the experimentally observed non-monotonic temperature dependence of bimolecular charge-carrier recombination rate in tetragonal MAPbI 3 phase.

14 SOLAR ENERGY↗