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In this paper, we present a continuum model to compute the energy of low angle grain boundaries for any given degrees of freedom (arbitrary rotation axis, rotation angle and boundary plane orientation) based on a continuum dislocation…

Materials Science · Physics 2016-12-20 Luchan Zhang , Yejun Gu , Yang Xiang

Grain boundaries affect properties of polycrystalline materials. The influence of a boundary is largely determined by its energy. Grain boundary energy is often portrayed as a function of macroscopic boundary parameters representing grain…

Materials Science · Physics 2025-01-07 Adam Morawiec

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

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

In this paper, the dynamics of a system of a finite number of screw dislocations is studied. Under the assumption of antiplane linear elasticity, the two-dimensional dynamics is determined by the renormalised energy. The interaction of one…

Dynamical Systems · Mathematics 2017-06-30 Thomas Hudson , Marco Morandotti

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

The study of defect phases is important for designing nanostructured metals and alloys. Grain boundaries (GBs) form one class of defects that directly influence materials properties, such as deformability and strength. At the same time,…

Materials Science · Physics 2023-03-20 P. Mathews , S. Zhang , C. Scheu , R. Janisch , J. Neugebauer , T. Hickel

In this note we discuss two aspects of screw dislocations dynamics: their behavior near the boundary and a way to confine them inside the material. In the former case, we obtain analytical results on the estimates of collision times (one…

Analysis of PDEs · Mathematics 2017-05-24 Marco Morandotti

Grain boundary sliding (GBS) is a key deformation mechanism at high homologous temperatures in polycrystalline materials, however, its intrinsic behavior is often obscured by additional strain accommodation processes. In this study,…

Materials Science · Physics 2026-04-20 Divya Sri Bandla , Subin Lee , Christoph Kirchlechner

The gradient crystal plasticity framework of Wulfinghoff et al. [53] incorporating an equivalent plastic strain and grain boundary yielding, is extended with additional grain boundary hardening. By comparison to averaged results from many…

Computational Physics · Physics 2015-12-18 E. Bayerschen , M. Stricker , S. Wulfinghoff , D. Weygand , T. Böhlke

A Phenomenological Mesoscopic Field Dislocation Mechanics (PMFDM) model is developed, extending continuum plasticity theory for studying initial-boundary value problems of small-scale plasticity. PMFDM results from an elementary space-time…

Materials Science · Physics 2016-08-31 Amit Acharya , Anish Roy

We investigate the diffusion of a grain boundary in a crystalline material. We consider in particular the case of a regularly spaced low-angle grain boundary schematized as an array of dislocations that interact with each other through…

Statistical Mechanics · Physics 2007-12-22 F. Leoni , S. Zapperi

Interface migration in microstructures is mediated by the motion of line defects with step and dislocation character, i.e., disconnections. We propose a continuum model for arbitrarily-curved grain boundaries or heterophase interfaces…

Materials Science · Physics 2023-05-15 Caihao Qiu , Marco Salvalaglio , David J. Srolovitz , Jian Han

Solute segregation at low-angle grain boundaries (LAGBs) critically affects the microstructure and mechanical properties of magnesium (Mg) alloys. In modern alloys containing multiple substitutional elements, understanding solute-solute…

We demonstrate that an arbitrary system of screw dislocations in a smectic-A liquid crystal may be consistently treated within harmonic elasticity theory, provided that the angles between dislocations are sufficiently small. Using this…

Soft Condensed Matter · Physics 2009-11-07 Igor Bluestein , Randall D. Kamien , T. C. Lubensky

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

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

In a recent letter, (Phys. Rev. Lett. 82, 2892(1999); cond-mat/9808306) Kamien and Lubensky calculated the energy of the surface constructed via a linear superposition of screw dislocations in SmA phase, and obtained the positive…

Soft Condensed Matter · Physics 2007-05-23 I. Luk'yanchuk

Phase transformations in metallic grain boundaries (GBs) present significant fundamental interest in the context of thermodynamics of low-dimensional physical systems. We report on atomistic computer simulations of the Cu-Ag system that…

Materials Science · Physics 2015-07-01 Timofey Frolov , Mark Asta , Yuri Mishin

The complex arrangements of atoms near grain boundaries are difficult to understand theoretically. We propose a phenomenological (Ginzburg-Landau-like) description of crystalline phases based on symmetries and fairly general stability…

Materials Science · Physics 2015-06-25 Denis Boyer , David Romeu