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We study the Grain Boundary (GB) migration based on the underlying disconnection structure and mechanism. Disconnections are line defects that lie solely within a GB and are characterized by both a Burgers vector and a step height, as set…

Materials Science · Physics 2019-10-23 Chaozhen Wei , Spencer L. Thomas , Jian Han , David J. Srolovitz , Yang Xiang

Continuum models of dislocation plasticity require constitutive closure assumptions, e.g., by relating details of the dislocation microstructure to energy densities. Currently, there is no systematic way for deriving or extracting such…

Materials Science · Physics 2021-05-26 Hengxu Song , Nina Gunkelmann , Giacomo Po , Stefan Sandfeld

We explore the effects of surface tension and mobility models in simulations of grain growth using threshold dynamics algorithms that allow performing large scale simulations, while naturally capturing the Herring angle condition at…

Materials Science · Physics 2019-07-29 Tiago Salvador , Selim Esedoglu

In this work, we investigate the shape evolution of rotated, embedded, initially cylindrical grains (with [001] cylinder axis) in Ni under an applied synthetic driving force via molecular dynamics simulations and a continuum,…

Materials Science · Physics 2024-08-28 Anqi Qiu , Caihao Qiu , Ian Chesser , Jian Han , David Srolovitz , Elizabeth Holm

Equations for dislocation evolution bridge the gap between dislocation properties and continuum descriptions of plastic behavior of crystalline materials. Computer simulations can help us verify these evolution equations and find their…

Materials Science · Physics 2020-11-11 Kamyar M. Davoudi , Joost J. Vlassak

The granular microstructure of metals evolves significantly during thermomechanical processing through viscoplastic deformation and recrystallization. Microstructural features such as grain boundaries (GBs), subgrains, localized deformation…

Materials Science · Physics 2025-06-11 Izzet Tarik Tandogan , Michael Budnitzki , Stefan Sandfeld

In this work, a coarse-graining method previously proposed by the authors in a companion paper based on solving diffusion equations is applied to CFD-DEM simulations, where coarse graining is used to obtain solid volume fraction, particle…

Computational Physics · Physics 2015-01-07 Rui Sun , Heng Xiao

Dislocation based modeling of plasticity is one of the central challenges at the crossover of materials science and continuum mechanics. Developing a continuum theory of dislocations requires the solution of two long standing problems: (i)…

Materials Science · Physics 2016-01-20 Thomas Hochrainer

We present a collision model for phase-resolved Direct Numerical Simulations of sediment transport that couple the fluid and particles by the Immersed Boundary Method. Typically, a contact model for these types of simulations comprises a…

Fluid Dynamics · Physics 2017-04-18 Edward Biegert , Bernhard Vowinckel , Eckart Meiburg

Dynamic recrystallization is one of the main phenomena responsible for microstructure evolutions during hot forming. Consequently, getting a better understanding of DRX mechanisms and being able to predict them is crucial. This paper…

Computational Engineering, Finance, and Science · Computer Science 2022-12-14 Victor Grand , Baptiste Flipon , Alexis Gaillac , Marc Bernacki

A discrete model and the regular solution approximation are applied to describe the effect of grain boundary motion on grain boundary phase transformations in a binary alloy. The model predicts all thermodynamic properties of the grain…

Materials Science · Physics 2019-05-13 Y. Mishin

A numerical investigation of grain-boundary grooving by means of a Level Set method is carried out. An idealized polygranular interconnect which consists of grains separated by parallel grain boundaries aligned normal to the average…

Materials Science · Physics 2009-10-31 M. Khenner , A. Averbuch , M. Israeli , M. Nathan

We propose a two dimensional frame-invariant phase field model of grain impingement and coarsening. One dimensional analytical solutions for a stable grain boundary in a bicrystal are obtained, and equilibrium energies are computed. We are…

Materials Science · Physics 2007-05-23 Ryo Kobayashi , James A. Warren , W. Craig Carter

This work is based upon a coupled, lattice-based continuum formulation that was previously applied to problems involving strong coupling between mechanics and mass transport; e.g. diffusional creep and electromigration. Here we discuss an…

Computational Physics · Physics 2007-05-23 Hashem M. Mourad , Krishna Garikipati

Continuum dislocation dynamics (CDD) has become the state-of-the-art theoretical approach for mesoscale dislocation plasticity of metals. Within this approach, there are multiple CDD theories that can all be derived from the principles of…

Materials Science · Physics 2026-04-13 Joseph Pierre Anderson , Anter El-Azab

Although continuum theory has been widely used to describe the long-range elastic behavior of dislocations, it is limited in its ability to describe mechanical behaviors that occur near dislocation cores. This limit of the continuum theory…

Materials Science · Physics 2020-10-28 Soon Kim , Keonwook Kang , Sung Youb Kim

We derive general relations between grain boundaries, rotational deformations, and stress-free states for the mesoscale continuum Nye dislocation density tensor. Dislocations generally are associated with long-range stress fields. We…

Disordered Systems and Neural Networks · Physics 2009-11-11 Surachate Limkumnerd , James P. Sethna

The kinetics of dislocations is studied with computer simulation at loadings of different intensity. It is established that the dislocations have a few different structural states. The dislocations "with the micropore" play important role…

Materials Science · Physics 2007-05-23 L. S. Metlov

To develop a dislocation-based statistical continuum theory of crystal plasticity is a major challenge of materials science.During the last two decades such a theory has been developed for the time evolution of a system of parallel edge…

Materials Science · Physics 2021-05-12 István Groma , Péter Dusán Ispánovity , Thomas Hochrainer

Coarse-grained descriptions of dislocation motion in crystalline metals inherently represent a loss of information regarding dislocation-dislocation interactions. In the present work, we consider a coarse-graining framework capable of…

Materials Science · Physics 2020-12-21 Joseph Anderson , Anter El-Azab