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

XZ Tang and Q Zu and YF Guo, JOURNAL OF APPLIED PHYSICS, 123, 205112 (2018).

DOI: 10.1063/1.5022880

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. Published by AIP Publishing.

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