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Grain boundaries control a wide variety of bulk properties in polycrystalline materials, so simulation methods like density functional theory are routinely used to study their structure-property relationships. A standard practice for such…

Materials Science · Physics 2023-08-29 Malik Wagih , Christopher A. Schuh

The grain boundary-mediated mechanisms that control plastic deformation of nanocrystalline metals should cause evolution of the grain boundary network, since they directly alter misorientation relationships between crystals. Unfortunately,…

Materials Science · Physics 2016-07-21 Jason F. Panzarino , Timothy J. Rupert

The effect of slip transfer on the deformation mechanisms of Al bicrystals was explored using a rate-dependent dislocation-based crystal plasticity model. Three different types of grain boundaries (GBs) were included in the model by…

Materials Science · Physics 2020-01-27 S. Haouala , R. Alizadeh , T. R. Bieler , J. Segurado , J. LLorca

A boundary element formulation is developed to determine the complex stress intensity factors associated with cracks on the interface between dissimilar materials. This represents an extension of the methodology developed previously by the…

Computational Physics · Physics 2010-03-02 Ali R. Hadjesfandiari , Gary F. Dargush

A Phenomenological Mesoscopic Field Dislocation Mechanics (PMFDM) model is developed, extending continuum plasticity theory for studying initial-boundary value problems of small-scale plasticity. PMFDM results from an elementary space-time…

Materials Science · Physics 2016-08-31 Amit Acharya , Anish Roy

The convergence of a peridynamic model for solid mechanics inside heterogeneous media in the limit of vanishing nonlocality is analyzed. It is shown that the operator of linear peridynamics for an isotropic heterogeneous medium converges to…

Analysis of PDEs · Mathematics 2014-11-27 Bacim Alali , Max Gunzburger

A phase field model of a crystalline material at the mesoscale is introduced to develop the necessary theoretical framework to study plastic flow due to dislocation motion. We first obtain the elastic stress from the phase field free energy…

Materials Science · Physics 2018-03-07 Audun Skaugen , Luiza Angheluta , Jorge Viñals

Previous studies demonstrate that grain-boundary sliding could accelerate creep rate and give rise to large internal stresses that can lead to damage development, e.g. formation of wedge cracks. The present study provides more insight into…

Materials Science · Physics 2021-03-02 Markian Petkov , Elsiddig Elmukashfi , Edmund Tarleton , Alan C. F. Cocks

We study the settling of solid particles within a viscous incompressible fluid contained in a two-dimensional channel, where the mass density of the particles is slightly greater than that of the fluid. The fluid-structure interaction…

Fluid Dynamics · Physics 2015-09-07 Sudeshna Ghosh , John M. Stockie

A novel continuum theory of incoherent interfaces with triple junctions is applied to study three-dimensional coupled grain boundary (GB) motion in polycrystalline materials. The kinetic relations for grain dynamics, relative sliding and…

Materials Science · Physics 2017-02-08 Anup Basak , Anurag Gupta

The rapid development of modern energy applications drives an urgent need to enhance the dielectric strength of energy storage dielectrics for higher power density. Interface design is a promising strategy to regulate the crucial charge…

Materials Science · Physics 2024-11-05 Haoxiang Zhao , Lixuan An , Daning Zhang , Xiong Yang , Huanmin Yao , Guanjun Zhang , Haibao Mu , Björn Baumeier

Near-boundary Brownian motion is a classic hydrodynamic problem of great importance in a variety of fields, from biophysics to micro-/nanofluidics. However, due to challenges in experimental measurements of near-boundary dynamics, the…

Fluid Dynamics · Physics 2016-08-09 Kai Huang , Izabela Szlufarska

Most technologically useful materials are polycrystalline microstructures composed of a myriad of small monocrystalline grains separated by grain boundaries. The energetics and connectivities of grain boundaries play a crucial role in…

Analysis of PDEs · Mathematics 2020-08-20 Yekaterina Epshteyn , Chun Liu , Masashi Mizuno

Grain boundaries can exist as different grain boundary phases (also called complexions) with individual atomic structures. The thermodynamics of these defect phases in high-angle grain boundaries were studied mostly with atomistic and phase…

The numerical simulation of the inviscid Burgers' equation is often hindered by spurious oscillations near discontinuities. To mitigate this issue, a viscous term can be introduced, leading to the viscous Burgers' equation. In this work,…

Numerical Analysis · Mathematics 2026-05-14 Lorenzo Agostini , Michel Fournié , Ghislain Haine

The crystal-melt interfaces of a binary hard-sphere fluid mixture in coexistence with a single-component hard-sphere crystal is investigated using molecular-dynamics simulation. In the system under study, the fluid phase consists of a…

Chemical Physics · Physics 2009-11-07 Rachel Sibug-Aga , Brian B. Laird

Elasticity theory provides an accurate description of the long-wavelength vibrational dynamics of homogeneous crystalline solids, and with supplemental boundary conditions on the displacement field can also be applied to abrupt…

Materials Science · Physics 2013-05-29 Corey W. Bettenhausen , Wade C. Bowie , Michael R. Geller

Revealing statistics of H-defect interactions provides insights into significant ductility loss due to the particular strain partitioning in H-charged structural alloys. Experimental investigation of these interactions is extremely…

Materials Science · Physics 2025-01-22 Matthew J. Melfi , S. Mohadeseh Taheri-Mousavi

We investigate the diffusion of a grain boundary in a crystalline material. We consider in particular the case of a regularly spaced low-angle grain boundary schematized as an array of dislocations that interact with each other through…

Statistical Mechanics · Physics 2007-12-22 F. Leoni , S. Zapperi

A method for solving three dimensional discrete dislocation plasticity boundary-value problems using a monopole representation of the dislocations is presented. At each time step, the displacement, strain and stress fields in a finite body…

Computational Engineering, Finance, and Science · Computer Science 2024-06-06 A. Cruzado , M. P. Ariza , A. Needleman , M. Ortiz , A. A. Benzerga