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Disconnection flow-mediated grain rotation.

Authors
  • Qiu, Caihao1
  • Salvalaglio, Marco2, 3
  • Srolovitz, David J4
  • Han, Jian1
  • 1 Department of Materials Science and Engineering, City University of Hong Kong, Hong Kong Special Administrative Region, China. , (China)
  • 2 Institute of Scientific Computing, Technische Universität Dresden, Dresden 01062, Germany. , (Germany)
  • 3 Dresden Center for Computational Materials Science, Technische Universität Dresden, Dresden 01062, Germany. , (Germany)
  • 4 Department of Mechanical Engineering, The University of Hong Kong, Hong Kong Special Administrative Region, China. , (China)
Type
Published Article
Journal
Proceedings of the National Academy of Sciences
Publisher
Proceedings of the National Academy of Sciences
Publication Date
Jan 02, 2024
Volume
121
Issue
1
Identifiers
DOI: 10.1073/pnas.2310302121
PMID: 38154066
Source
Medline
Keywords
Language
English
License
Unknown

Abstract

Grain rotation is commonly observed during the evolution of microstructures in polycrystalline materials of different kinds, including metals, ceramics, and colloidal crystals. It is widely accepted that interface migration in these systems is mediated by the motion of line defects with step and dislocation character, i.e., disconnections. We propose a crystallography-respecting continuum model for arbitrarily curved grain boundaries or heterophase interfaces, accounting for the disconnections' role in grain rotation. Numerical simulations demonstrate that changes in grain orientations, as well as interface morphology and internal stress field, are associated with disconnection flow. Our predictions agree with molecular dynamics simulation results for pure capillarity-driven evolution of grain boundaries and are interpreted through an extended Cahn-Taylor model.

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