Modelling of grain boundary dynamics using amplitude equations

DOI10.1007/S00161-015-0424-7MaRDI QIDQ680851zbMATH OpenOpenAlexFDO

Authors Claas Hüter, Jörg Neugebauer, Guillaume Boussinot, Bob Svendsen, Ulrich Prahl, Robert Spatschek

Publication date 29 January 2018

Published in Continuum Mechanics and Thermodynamics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1407.4283

zbMATH Keywords

nonlinear elasticityamplitude equationscoupled motiongrain rotation

Mathematics Subject Classification ID

Foundations of thermodynamics and heat transfer (80A05)

Abstract: We discuss the modelling of grain boundary dynamics within an amplitude equations description, which is derived from classical density functional theory or the phase field crystal model. The relation between the conditions for periodicity of the system and coincidence site lattices at grain boundaries is investigated. Within the amplitude equations framework we recover predictions of the geometrical model by Cahn and Taylor for coupled grain boundary motion, and find both $langle100angle$ and $langle110angle$ coupling. No spontaneous transition between these modes occurs due to restrictions related to the rotational invariance of the amplitude equations. Grain rotation due to coupled motion is also in agreement with theoretical predictions. Whereas linear elasticity is correctly captured by the amplitude equations model, open questions remain for the case of nonlinear deformations.

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