The surface nucleation of tension twin via pure-shuffle mechanism: The energy landscape sampling and dynamic simulations

The surface nucleation of tension twin in magnesium monocrystalline is investigated by potential energy landscape sampling and dynamic simulations. Surface nucleation via pure-shuffle mechanism is proved without any other pre-existing defects or defect interactions as a trigger event. The stress-dep...

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Bibliographic Details
Published in:Journal of applied physics 2018-05, Vol.123 (20)
Main Authors: Tang, Xiao-Zhi, Zu, Qun, Guo, Ya-Fang
Format: Article
Language:English
Subjects:
Applied physics
Crystal defects
HCP metals
Molecular dynamics
Nucleation
Potential energy
Sampling
Simulation
Twin boundaries
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Summary:The surface nucleation of tension twin in magnesium monocrystalline is investigated by potential energy landscape sampling and dynamic simulations. Surface nucleation via pure-shuffle mechanism is proved without any other pre-existing defects or defect interactions as a trigger event. The stress-dependent reaction pathways and activation potential energies of a tension twin nucleus are reported. The growth of a tension twin nucleus in a submicron-sized sample is simulated by molecular dynamics. During the growth, a twin nucleus with basal-prismatic interfaces as its dominant boundaries evolves into a twin grain which is characterized by coherent twin boundaries. A better understanding of shuffle-induced plasticity in hexagonal close-packed metals is pursued.
ISSN:0021-8979
1089-7550
DOI:10.1063/1.5022880