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Nano-twin Structure Simulation with Phase Field Crystal Method
GAO Yingjun, WANG Jiangfan, LUO Zhirong, LU Qianghua, LIU Yao
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
2013, 30 (4):
577-581.
Two-mode phase-field-crystal (PFC) method is used to simulate coherent boundary of nano-twins.It shows that atomic arrangement in coherent twin-grain boundary is not in good order as sphere grains grow and run into each other to form dislocations.Atomic arrangement in coherent twin-grain boundary as band-shape grains colliding each other is more tidy.For designing and controlling numbers of atomic layer in nano-twins,PFC model can be used to realize manipulation for coherent nano-twins structure.It is significant for guiding experiment and revealing nano-twins structure and properties.
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