The effect of dislocations on the thermodynamic properties of Ta single crystal under high pressure by molecular dynamics simulation<xref rid="cpb_27_8_086401_fn1" ref-type="fn">*</xref><fn id="cpb_27_8_086401_fn1"><label>*</label><p>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).</p></fn>

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 Jun^{1, †}, Mo Dan¹, Wang Yandong²

(color online) Atomic arrangement and stress distribution with atomic resolutions, where a Ta crystal including a 1/2⟨110⟩ {112} edge dislocation (the corresponding density ρ = 0.29 × 10¹² cm⁻²) is impacted under the pressure of 100 GPa at different moments of (a) t = 0 ps, (b) t = 5 ps, (c) t = 10 ps, and (d) t = 30 ps. The shock pressure is along the ⟨110⟩ crystallographic direction.