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).
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.
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