Decoding crystal growth kinetics and structural evolution in supercooled ZnSe by molecular dynamics simulation

Computational Materials Science(2022)

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Abstract
Average growth velocity, vT, in supercooled ZnSe as a function of the reduced temperature, T/Tm. The black circles display the vT obtained from the seeding method. The red circles refer to the vT obtained from spontaneous nucleation. The black and blue dashed lines show the fittings and extrapolations of v(T) using the “Normal” and the “Screw Dislocation” diffusion-controlled growth models (WF theory), respectively. The red dashed line shows the fitting and extrapolation of v(T) using the collision-controlled growth mechanism (BGJ theory).
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Key words
Crystal growth,Nucleation,Supercooled liquid,ZnSe,Molecular dynamics simulation,Seeding method
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