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The grain boundary (GB) microstructure influences and is influenced by the development of residual stresses during synthesis of polycrystalline thin films. Recent studies have shown that the frustration between the preferred growth…

Materials Science · Physics 2022-12-14 Mengyuan Wang , Ruilin Yan , Xiao Han , Hailong Wang , Moneesh Upmanyu

Grain boundary (GB) segregation is a powerful approach for optimizing the thermal and mechanical properties of metal alloys. In this study, we report significant GB interstitial segregation in a representative substitutional binary alloy…

Materials Science · Physics 2025-05-27 Zuoyong Zhang , Chuang Deng

Solute segregation in materials with grain boundaries (GBs) has emerged as a popular method to thermodynamically stabilize nanocrystalline structures. However, the impact of varied GB crystallographic character on solute segregation has…

Materials Science · Physics 2025-03-10 Lydia Harris Serafin , Ethan R. Cluff , Gus L. W. Hart , Eric R. Homer

The microstructure of polycrystalline materials consists of networks of grain boundaries (GBs) and triple junctions (TJs), along which three GBs meet. The evolution of such microstructures may be driven by surface tension (capillarity),…

Computational Physics · Physics 2019-08-01 Chaozhen Wei , Luchan Zhang , Jian Han , David J. Srolovitz , Yang Xiang

Despite the large number of experiments demonstrating that grains in a metallic material can grow at room temperature due to applied mechanical load, the mechanisms and the driving forces responsible for mechanically induced grain…

Materials Science · Physics 2019-04-08 Oleksandr Glushko , Gerhard Dehm

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

The initiation of intergranular corrosion at various types of grain boundaries (GBs) was studied at the nanometer scale on microcrystalline copper in 1 mM HCl aqueous solution. In situ Electrochemical Scanning Tunneling Microscopy (ECSTM)…

This study investigates the boundary migration mechanisms near the sample surface of recrystallizing grains in high-purity Al subjected to cryogenic rolling. Local strain and stress tensors were characterized during \textit{in situ}…

Materials Science · Physics 2026-04-14 Yubin Zhang , Qiwei Shi , Guilin Wu

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

The microstructural evolution at and near pre-existing grain boundaries (GBs) and dislocations in materials under high radiation doses is still poorly understood. In this work, we use the creation relaxation algorithm (CRA) developed for…

This paper presents an overview of recent computer simulations of grain boundary (GB) diffusion focusing on atomistic understanding of diffusion mechanisms. At low temperatures when GB structure is ordered, diffusion is mediated by point…

Materials Science · Physics 2019-04-25 Y. Mishin

Grain boundaries (GBs) are ubiquitous in polycrystalline graphene materials obtained by various growth methods. It has been shown previously that considerable electrical transport gap can be opened by grain boundaries. On the other hand,…

Mesoscale and Nanoscale Physics · Physics 2012-08-31 S. Bala Kumar , Jing Guo

The mechanical properties and deformation mechanisms of Cu/Nb nanoscale metallic multilayers (NMMs) manufactured by accumulative roll bonding (ARB) are studied at 25C and 400C. Cu/Nb NMMs with individual layer thicknesses between 7 and 63…

Dislocations in ceramics have recently gained renewed research interest, in contrast to the traditional belief that ceramics are inherently brittle. Understanding dislocation mechanics in representative oxides is beneficial for effective…

The dynamics of dislocation assemblies in deforming crystals indicate the emergence of collective phenomena, intermittent fluctuations and strain avalanches. In polycrystalline materials, the understanding of plastic deformation mechanisms…

Materials Science · Physics 2009-11-13 Paolo Moretti , Lasse Laurson , Mikko J. Alava

Grain boundaries (GBs) are structural imperfections that typically degrade the performance of materials. Here we show that dislocations and GBs in two-dimensional (2D) metal dichalcogenides MX2 (M = Mo, W; X = S, Se) can actually improve…

Materials Science · Physics 2013-08-21 Zhuhua Zhang , Xiaolong Zou , Vincent H. Crespi , Boris I. Yakobson

A numerical investigation of grain-boundary (GB) grooving by means of the Level Set (LS) method is carried out. GB grooving is emerging as a key element of electromigration drift in polycrystalline microelectronic interconnects, as…

Materials Science · Physics 2007-05-23 M. Khenner , A. Averbuch , M. Israeli , M. Nathan , E. Glickman

Characterizing plasticity mechanisms below the ductile-to-brittle transition temperature is traditionally difficult to accomplish in asystematic fashion. Here, we use a new experimental setup to perform in situ cryogenic mechanical testing…

Materials Science · Physics 2021-04-05 A. Lupinacci , J. Kacher , A. A. Shapiro , P. Hosemann , A. M. Minor

Grain boundaries (GB) profoundly influence the electrical properties of polycrystalline ionic solids. Yet, precise control of their transport characteristics has remained elusive, thereby limiting the performance of solid-state…

Solute decoration at grain boundaries (GB) leads to a number of phenomenon such as changes in interface structure,mobility,cohesion etc.Recent experimental investigations on interfacial segregation in steels are based on microstructural…

Materials Science · Physics 2022-03-01 Mainak Saha