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For potentially wider applications of ceramics with dislocation-tuned mechanical and functional properties, it is pertinent to achieve dislocation engineering in polycrystalline ceramics. However, grain boundaries (GBs) in general are…

Materials Science · Physics 2025-09-08 Kuan Ding , Atsutomo Nakamura , Patrick Cordier , Xufei Fang

Grain boundaries (GBs) merge and grains disappear during microstructure evolution. However, the Peach-Koehler model predicts that particular stress states may reverse such a process by exerting differential Peach-Koehler forces on different…

Materials Science · Physics 2025-09-04 Wei Wan , Changxin Tang , Eric R Homer

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

We analyze the dislocation content of grain boundary (GB) phase junctions, i.e., line defects separating two different GB phases coexisting on the same GB plane. While regular GB disconnections have been characterized for a variety of…

Materials Science · Physics 2021-05-26 T. Frolov , D. L. Medlin , M. Asta

The interactions between dislocations and interface/grain boundaries, including dislocation absorption, transmission, and reflection, have garnered significant attention from the research community for their impact on the mechanical…

Applied Physics · Physics 2023-09-29 Jinxin Yu , Alfonso H. W. Ngan , David J. Srolovitz , Jian Han

Microscopic models of the interaction between grain boundaries (GBs) and both dislocations and cracks are of importance in understanding the role of microstructure in altering the mechanical properties of a material. A recently developed…

Materials Science · Physics 2009-10-30 V. B. Shenoy , R. Miller , E. B. Tadmor , R. Phillips , M. Ortiz

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

Knowledge about grain boundary migration is a prerequisite for understanding and ultimately modulating the properties of polycrystalline materials. Evidence from experiments and molecular dynamics (MD) simulations suggests that the…

Materials Science · Physics 2021-12-08 Mahi Gokuli , Brandon Runnels

In this paper, we present a continuum model for the dynamics of low angle grain boundaries in two dimensions based on the motion of constituent dislocations of the grain boundaries. The continuum model consists of an equation for the motion…

Materials Science · Physics 2018-06-13 Luchan Zhang , Yang Xiang

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

This paper studies how solute segregation and its relationship to grain boundary energy in binary alloys is captured in the phase field crystal (PFC) formalism, a continuum method that incorporates atomic scale elasto-plastic effects on…

Materials Science · Physics 2013-04-10 Jonathan Stolle , Nikolas Provatas

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

We present a continuum model to determine the dislocation structure and energy of low angle grain boundaries in three dimensions. The equilibrium dislocation structure is obtained by minimizing the grain boundary energy that is associated…

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

This work investigates how grain boundaries (GBs) modify magnetic exchange interactions in bcc iron, with particular focus on the effect of phosphorus segregation. Using density-functional theory combined with the…

Materials Science · Physics 2026-04-14 Martin Zelený , Martin Heczko , Petr Šesták , Denis Ledue , Renaud Patte , Miroslav Černý

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

Grain boundaries can exist as different grain boundary phases (also called complexions) with individual atomic structures. The thermodynamics of these defect phases in high-angle grain boundaries were studied mostly with atomistic and phase…

Nanoindentation is a convenient method to investigate the mechanical properties of materials on small scales by utilizing low loads and small indentation depths. However, the effect of grain boundaries (GB) on the nanoindentation response…

Materials Science · Physics 2019-03-27 Songjiang Lu , Bo Zhang , Xiangyu Li , Junwen Zhao , Michael Zaiser , Haidong Fan , Xu Zhang

The internal energy associated with the defect microstructure of strongly deformed crystals provides an important driving force for grain boundary motion during recrystallization. Typical dislocation microstructures are strongly…

Materials Science · Physics 2026-01-13 Yufan Zhang , Michael Zaiser

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

We use the phase-field-crystal (PFC) method to investigate the equilibrium premelting and nonequilibrium shearing behaviors of $[001]$ symmetric tilt grain boundaries (GBs) at high homologous temperature over the complete range of…

Materials Science · Physics 2015-06-12 Ari Adland , Alain Karma , Robert Spatschek , Dorel Buta , Mark Asta
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