Competing Paths for the Combination of Deformation Twins in Molybdenum under Hydrostatic Pressure via Atomistic Simulations

Y. Zhang ； D. J. Yu ； H. Wang

《Chinese Journal of Physics》 52卷3期 (2014/06) Pp. 1139-1144

https://doi.org/10.6122/CJP.52.1139

並列摘要

Molecular dynamics simulations are performed to investigate how deformation twins grow and combine in molybdenum. Both processes are found to be dependent on the external pressure, i.e., their energy barriers decrease with the pressure changing from compression to tension, while twin combination is more sensitive to external pressure. A competition between the two processes is revealed. Under hydrostatic compression, twin growth is favored with a lower energy barrier compared with twin combination, whereas under hydrostatic tension, twin combination is favored. The present result agrees with previous works on twin nucleation and sheds light on the understanding of the deformation behavior in materials, where deformation twins dominate.