Critical nucleus size for crystallization of supercooled liquids in two dimensions

Physical Review. E
Tomoko MizuguchiT Odagaki

Abstract

Using molecular dynamics simulations, we study the crystallization of supercooled liquids in two dimensions in which particles interact with other particles via the Lennard-Jones-Gauss potential. We first prepare supercooled liquids at various temperatures by rapid quenching from the melt. The simulations are performed with a crystalline seed inserted at the center of the initial system. We investigate the time evolution of the inserted nucleus and its surroundings and determine the critical nucleus size n_{c} defined as the smallest nucleus which survives. The results show that n_{c} scales as ∼(T_{m}-T)^{-2} with the melting temperature T_{m}, as expected in the classical nucleation theory. We also obtain the crystallization time at various temperatures as a function of nucleus size and show that the presence of a crystalline seed significantly affects the crystallization time when the temperature is higher than the characteristic temperature T^{*} at which the crystallization time becomes the shortest. This indicates that the crystallization is controlled by thermodynamics in this temperature range. When the temperature is lower than T^{*}, the effect of the inserted nucleus on crystallization is less significant, which indi...Continue Reading

References

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Jun 13, 2009·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Tomoko Mizuguchi, Takashi Odagaki
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Jan 24, 2016·The Journal of Chemical Physics·Jorge R EspinosaEduardo Sanz

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Citations

Nov 25, 2021·Physical Chemistry Chemical Physics : PCCP·C P LamasE Sanz

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