Nanocrystallization in single-crystal copper under laser shock compression: A molecular dynamics study

QL Xiong and T Kitamura and ZH Li, MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 752, 115-127 (2019).

DOI: 10.1016/j.msea.2019.02.086

Molecular dynamics simulations are performed to investigate nanocrystallization of < 100 > -oriented monocrystal copper subjected to ultrafast laser shock compression. The differences between laser shock compression and direct mechanical shock compression are first studied. To reveal the intrinsic mechanism of nanocrystallization, the evolution of dislocations and the formation of sub-grain boundaries are presented and analyzed in detail. The nucleation of dislocations is analyzed using Schmid's law and the von Mises yield criterion. Dislocation evolution and the corresponding reactions are presented. To better understand the evolution of dislocations, typical thermophysical quantities, including stress and strain, are discussed in detail. The formation of dislocation cells, walls and entanglements due to interactions between dislocations is investigated, and the mechanism of the interactions is analyzed.

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