The phase transition of rapidly super-cooled Tungsten under 100 GPa

XZ Deng and L Lang and YF Mo and ZA Tian and WY Hu, CHEMICAL PHYSICS LETTERS, 755, 137789 (2020).

DOI: 10.1016/j.cplett.2020.137789

The structural evolution during a rapid cooling of pure W metal under 100 GPa was investigated by MD simulation, in terms of the pair distribution function and the largest standard cluster analysis (LSCA). At a cooling rate 0.1 K/ps the W melt crystallizes into HCP crystal, via liquid, supercooled liquid, mixture of ordered and disordered structures, bcc crystal, and a serials of BCC-HCP coexisting states; and the topologically close-packed structures play an important role in these phase transitions. These findings are useful for understanding the crystallization of metals, especially those have multiple phases stable in different temperature ranges.

Return to Publications page