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Grain growth competition during directional solidification of a polycrystal with hexagonal (hcp) symmetry (Mg-1wt%Gd alloy) is studied by phase-field modeling, exploring the effect of the temperature gradient G on the resulting grain…

Materials Science · Physics 2024-03-15 A. K. Boukellal , M. Sarebanzadeh , A. Orozco-Caballero , F. Sket , J. LLorca , D. Tourret

The interplay between the diffusion-controlled dynamics of a solidification front and the trajectory of a grain boundary groove at the solid-liquid interface is studied by means of thin-sample directional solidification experiments of a…

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

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

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

We propose to incorporate grain boundary (GB) anisotropy in phase-field modeling by extending the standard partial differential equations formulation to include a nonlocal functional of an orientation field. Regardless of the number of…

Materials Science · Physics 2026-02-09 Xiao Han , Axel van de Walle

In order to address the growth of crystals in veins, a multiphase-field model is used to capture the dynamics of crystals precipitating from a super-saturated solution. To gain a detailed understanding of the polycrystal growth phenomena in…

Geophysics · Physics 2013-10-21 Kumar Ankit , Britta Nestler , Michael Selzer , Mathias Reichardt

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

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

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

We present a novel phase-field approach for investigating solute segregation in a moving grain boundary. In our model, the correct choice of various parameters can control the solute-grain boundary interaction potential, resulting in…

Materials Science · Physics 2023-08-17 Sandip Guin , Miral Verma , Soumya Bandyopadhyay , Yu-Chieh Lo , Rajdip Mukherjee

We present the results of molecular dynamics modeling on the structural properties of grain boundaries (GB) in thin polycrystalline films. The transition from crystalline boundaries with low mismatch angle to amorphous boundaries is…

Disordered Systems and Neural Networks · Physics 2007-05-23 G. P. Berman , G. D. Doolen , R. Mainieri , J. Rehacek , D. K. Campbell , V. A. Luchnikov , K. E. Nagaev

We study the dynamics and morphology of grain growth with anisotropic energy and mobility of grain boundaries using a generalized phase field model. In contrast to previous studies, both inclination and misorientation of the boundaries are…

Materials Science · Physics 2009-10-31 A. Kazaryan , Y. Wang , S. A. Dregia , Bruce R. Patton

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

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

Using a phase-field model, we study the surface diffusion-controlled grooving of a moving grain boundary under the influence of an external magnetic field in thin films of a nonmagnetic material. The driving force for the grain boundary…

Mesoscale and Nanoscale Physics · Physics 2024-08-27 Soumya Bandyopadhyay , Somnath Bhowmick , Rajdip Mukherjee

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

Predicting the shape of grain boundaries is essential to control results of the growth of large graphene crystals. A global energy minimum search predicting the most stable final structure contradicts experimental observations. Here we…

Materials Science · Physics 2014-12-16 Ksenia V. Bets , Vasilii I. Artyukhov , Boris I. Yakobson

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

Grain boundaries (GBs) are central defects for describing polycrystalline materials, and playing major role in a wide-range of physical properties of polycrystals. Control over GB kinetics provides effective means to tailor polycrystal…

Materials Science · Physics 2018-10-10 Jian Han , Spencer L. Thomas , David J. Srolovitz
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