Molecular dynamic simulations of plasticity and phase transition in Mg polycrystalline under shock compression

ZY Jian and YC Chen and SF Xiao and L Wang and XF Li and K Wang and HQ Deng and WY Hu, APPLIED PHYSICS EXPRESS, 15, 015503 (2022).

DOI: 10.35848/1882-0786/ac43e3

We have investigated the shock-induced plasticity and phase transition in the hexagonal columnar nanocrystalline Mg by large-scale nonequilibrium molecular dynamics simulations. The preexisting grain boundaries (GBs) induce the nucleation of the 10-12 twins for the local stress relaxation. The twins grow up in grains leading to the orientation rotation. The phase transition from the hexagonal close- packed phase to the body-centered cubic phase begins when the migrating twin GBs meet in A- and C-type grains, and continues in the plastic deformation regions. The phase-transition pathway involves two steps: the reorientation and phase transformation.

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