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Phase-Field Model of Deformation Twin - Grain Boundary Interactions in Polycrystalline Hexagonal Systems

44 Pages Posted: 23 Jun 2020 Publication Status: Under Review

See all articles by Xin Hu

Xin Hu

Hunan University - Key Laboratory of Advanced Technology for Vehicle Body Design & Manufacture

Yanzhou Ji

Pennsylvania State University - Materials Science Institute

Tae Wook Heo

Lawrence Livermore National Laboratory - Materials Science Division

Long-Qing Chen

Pennsylvania State University - Department of Materials Science and Engineering; Pennsylvania State University - Materials Science Institute

Xiangyang Cui

Hunan University - Key Laboratory of Advanced Technology for Vehicle Body Design & Manufacture

Abstract

A phase-field model for describing dynamic interactions between deformation twins and grain boundaries in a hexagonal close packed (HCP) metal is established. It is applied to simulating the coupled evolution mechanisms of grains and twins in magnesium (Mg) by probing the transmission of {101 ̅2} deformation twins across grain boundaries. We analyze the effect of the strain relaxation near a grain boundary, which is related to the geometric compatibility arising from the misorientation angle between adjoining grains. Phase-field simulations demonstrate that twin transmission across a grain boundary into a neighboring grain leads to grain boundary migration towards the neighboring grain with a reduced grain boundary width. The preferred nucleation site of new twin variant in the neighboring grain is related to the elastic interaction energy distribution. These predicted transmission behaviors agree well with existing experimental observations and molecular dynamics simulations. By analyzing set of systematic phase-field simulation results, we establish a rotation-angle-related twin variant selection rule for analyzing the transmission of {101 ̅2} deformation twins across grain boundaries in Mg and its alloys.

Keywords: Phase-field method, Microstructures, Magnesium, Deformation twinning, Grain boundary

Suggested Citation

Hu, Xin and Ji, Yanzhou and Heo, Tae Wook and Chen, Long-Qing and Cui, Xiangyang, Phase-Field Model of Deformation Twin - Grain Boundary Interactions in Polycrystalline Hexagonal Systems. Available at SSRN: https://ssrn.com/abstract=3628968 or http://dx.doi.org/10.2139/ssrn.3628968

Xin Hu (Contact Author)

Hunan University - Key Laboratory of Advanced Technology for Vehicle Body Design & Manufacture

Changsha, 410082
China

Yanzhou Ji

Pennsylvania State University - Materials Science Institute ( email )

United States

Tae Wook Heo

Lawrence Livermore National Laboratory - Materials Science Division ( email )

Livermore, CA
United States

Long-Qing Chen

Pennsylvania State University - Department of Materials Science and Engineering ( email )

University Park
State College, PA 16802
United States

Pennsylvania State University - Materials Science Institute ( email )

United States

Xiangyang Cui

Hunan University - Key Laboratory of Advanced Technology for Vehicle Body Design & Manufacture ( email )

Changsha, 410082
China

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