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Shear coupling implies that all grain boundary (GB) migration necessarily creates mechanical stresses/strains and is a key component to the evolution of all polycrystalline microstructures. We present MD simulation data and theoretical…

Materials Science · Physics 2020-11-04 Kongtao Chen , Jian Han , Spencer L. Thomas , David J. Srolovitz

Grain growth (GG), driven by grain boundary (GB) migration, is a fundamental mechanism of microstructural evolution in polycrystalline materials. GB migration is frequently accompanied by a relative shear displacement of grains meeting at…

Materials Science · Physics 2026-03-13 Caihao Qiu , David J. Srolovitz , Gregory S. Rohrer , Jian Han , Marco Salvalaglio

Grain boundary (GB) migration is a pivotal process that significantly impacts the development of microstructures, thereby influencing the practical performance of polycrystalline materials. Recent advances in 3D experimental techniques have…

Materials Science · Physics 2026-01-06 Jianfeng Hu

Grain boundary (GB) migration exhibits intriguing anti-thermal behavior (or non-Arrhenius behavior), with the temperature and driving force playing crucial roles. Through atomistic simulations on nickel bicrystals, we investigate the change…

Materials Science · Physics 2023-09-15 Xinyuan Song , Chuang Deng

GB migration plays a central role in microstructural evolution. Many experiments and simulations have been conducted to clarify the relationships between GB velocity and various parameters to tailor GB networks. However, the complexity of…

Materials Science · Physics 2024-12-13 Tingting Yu

The grain boundary (GB) mobility relates GB velocity to the thermodynamic driving forces and is central to our understanding of microstructure evolution in polycrystals. Recent molecular dynamics (MD) and experimental studies have shown…

Materials Science · Physics 2020-11-18 Kongtao Chen , Jian Han , David J. Srolovitz

Grain boundary (GB) migration stands as a linchpin process governing microstructural evolution in polycrystalline materials. Over the past decade, the concept of shear coupling, quantified through the shear coupling factor, has transformed…

Materials Science · Physics 2024-08-19 Xinyuan Song , Liang Yang , Chuang Deng

Grain rotation and grain boundary (GB) sliding are two important mechanisms for grain coarsening and plastic deformation in nanocrystalline materials. They are in general coupled with GB migration and the resulting dynamics, driven by…

Materials Science · Physics 2014-12-30 Anup Basak , Anurag Gupta

Grain boundary (GB) mobility has been conventionally computed as a single value; however, a recent study has suggested that GB mobility should be expressed as a tensor. In this work, by using atomistic simulations, the concept of GB…

Materials Science · Physics 2022-12-23 Xinyuan Song , Liang Yang , Chuang Deng

In recent years, studies have demonstrated that the grain boundary (GB) migration is a three-dimensional (3D) process, characterized by a 3D mobility tensor. In this study, we develop a 3D interface random walk theory to extract the GB…

Materials Science · Physics 2025-02-26 Xinyuan Song , Chuang Deng

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

Previous simulation and experimental studies have shown that some grain boundaries (GBs) can couple to applied shear stresses and be moved by them, producing shear deformation of the lattice traversed by their motion. While this coupling…

Materials Science · Physics 2012-06-18 Z. T. Trautt , A. Adland , A. Karma , Y. Mishin

Grain boundary (GB) migration governs microstructure evolution and can mediate plastic deformation through sliding or shear coupling. Numerous experimental and numerical studies have reported a wide range of behaviors associated with…

Materials Science · Physics 2026-02-03 Brandon Runnels

Microstructural evolution in structural materials is known to occur in response to mechanical loading and can often accommodate substantial plastic deformation through the coupled motion of grain boundaries (GBs). This can produce desirable…

Mesoscale and Nanoscale Physics · Physics 2025-06-06 Daniel Bugas , Brandon Runnels

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

Grain growth in polycrystals is traditionally considered a capillarity-driven process, where grain boundaries (GBs) migrate toward their centers of curvature (i.e., mean curvature flow) with a velocity proportional to the local curvature…

Materials Science · Physics 2025-09-12 Caihao Qiu , David J. Srolovitz , Gregory S. Rohrer , Jian Han , Marco Salvalaglio

Polycrystalline materials can be viewed as composites of crystalline particles or grains separated from one another by thin amorphous grain boundary (GB) regions. While GB have been exhaustively investigated at low temperatures, where these…

Materials Science · Physics 2015-05-13 Hao Zhang , David J. Srolovitz , Jack F. Douglas* , James A. Warren

Atomistic simulations provide the most detailed picture of grain boundary (GB) migration currently available. Nevertheless, extracting unit mechanisms from atomistic simulation data is difficult because of the zoo of competing,…

Materials Science · Physics 2025-06-06 Ian Chesser , Brandon Runnels , Elizabeth Holm

Coupled grain boundary (GB) motion has been studied in a two-dimensional tricrystal where a cylindrical grain is embedded at the center of the planar GB of a large bicrystal. Kinetic relations for GB dynamics, grain orientations, and…

Materials Science · Physics 2014-07-15 Anup Basak , Anurag Gupta

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
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