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Related papers: A Three-dimensional Study of Coupled Grain Boundar…

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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

Rate of grain growth, which aides in achieving desired properties in polycrystalline materials, is conventionally estimated by measuring the size of grains and tracking its change in micrographs reflecting the temporal evolution. Techniques…

Materials Science · Physics 2024-06-17 Manoj Prabakar , P G Kubendran Amos

Grain structure plays a key role in the mechanical properties of alloy materials. Engineering the grain structure requires a comprehensive understanding of the evolution of grain boundaries (GBs) when a material is subjected to various…

Materials Science · Physics 2021-10-26 Junyan He , Nikhil Chandra Admal

Experiments, theory and atomistic simulations show that finite triple junction mobility results in non-equilibrium triple junction angles in evolving polycrystalline systems. These angles have been predicted and verified for cases where…

Materials Science · Physics 2017-02-07 Quan Zhao , Wei Jiang , David J. Srolovitz , Weizhu Bao

We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental bcc tungsten. While grain boundary structures created by the \gamma-surface method as a union of two perfect half…

Materials Science · Physics 2017-11-21 T. Frolov , W. Setyawan , R. J. Kurtz , J. Marian , A. R. Oganov , R. E. Rudd , Q. Zhu

Grain Boundaries (GB) whose energy is larger than twice the energy of the solid/liquid interface exhibit the premelting phenomenon, for which an atomically thin liquid layer develops at temperatures slightly below the bulk melting…

Computational Physics · Physics 2021-12-01 M. Torabi Rad , G. Boussinot , M. Apel

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

Understanding and controlling the properties and dynamics of topological defects is a lasting challenge in the study of two-dimensional materials, and is crucial to achieve high-quality films required for technological applications. Here…

Materials Science · Physics 2017-06-28 Doaa Taha , S. K. Mkhonta , K. R. Elder , Zhi-Feng Huang

A continuum model of the two dimensional low angle grain boundary motion and the dislocation structure evolution on the grain boundaries has been developed in Ref. [48]. The model is based on the motion and reaction of the constituent…

Materials Science · Physics 2020-01-14 Luchan Zhang , Yang Xiang

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

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 prove a local existence result for a PDE system that describes curvature motion of networks with a dynamic boundary condition known as triple junction drag. This model arises in the study of grain boundary evolution in polycrystalline…

Analysis of PDEs · Mathematics 2025-09-09 Yuchuan Yang , Selim Esedoglu

Grain boundary (GB) kinetics is important for many applications in 2d materials and metal thin films. To study how the substrate shape affects GB mobility and kinetics, we develop a kinetic Monte Carlo (kMC) simulation method and an…

Materials Science · Physics 2022-01-24 Kongtao Chen

As a central part of microstructure evolution, grain boundary (GB) migration is believed to be both monolithic and unidirectional. But here, we introduce the concept of GB decomposition: one GB separates into two new GBs by exerting…

Materials Science · Physics 2025-09-11 Wei Wan , Junwen Deng , Changxin Tang

We develop a continuum model for the dynamics of grain boundaries in three dimensions that incorporates the motion and reaction of the constituent dislocations. The continuum model is based on a simple representation of densities of curved…

Materials Science · Physics 2021-11-08 Xiaoxue Qin , Luchan Zhang , Yang Xiang

Grain boundaries (GBs) and interfaces in polycrystalline materials are significant research subjects in the field of materials science. Despite a more than 50-year history of their study, there are still many open questions. The main…

Materials Science · Physics 2021-06-28 Arslan B. Mazitov , Artem R. Oganov

Plastic deformation in polycrystals is governed by the interplay between intra-granular slip and grain boundary-mediated plasticity. However, while the role played by bulk dislocations is relatively well-understood, the contribution of…

Materials Science · Physics 2017-10-02 Nikhil Chandra Admal , Giacomo Po , Jaime Marian

Grain boundaries (GBs) can be treated as two-dimensional (2-D) interfacial phases (also called 'complexions') that can undergo interfacial phase-like transitions. As bulk phase diagrams and calculation of phase diagram (CALPHAD) methods are…

Materials Science · Physics 2022-09-05 Jian Luo

Interaction of vacancies with grain boundaries (GBs) is involved in many processes occurring in materials, including radiation damage healing, diffusional creep, and solid-state sintering. We analyze a model describing a set of processes…

Materials Science · Physics 2019-12-23 G. B. McFadden , W. J. Boettinger , Y. Mishin

High energy x-ray diffraction microscopy was used to image the microstructure of $\alpha$-Fe before and after a 600 $^\circ$C anneal. These data were used to determine the areas, curvatures, energies, and velocities of approximately 40,000…