The effect of dislocations on the thermodynamic properties of Ta single crystal under high pressure by molecular dynamics simulation*

Project supported by the National Natural Science Foundation of China (Grant No. 51231002) and the Basic Scientific Research Projects in Central Colleges and Universities (Grant No. 2018ZD10).

Li Yalin1, Cai Jun1, †, Mo Dan1, Wang Yandong2
       

(color online) (a) The elastic constants, (b) sound velocity, and (c) the enthalpy difference between fcc/hcp and bcc structure of Ta as a function of the hydrostatic pressure.