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).
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.
Return to Publications page