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08 February 2025
 
  » arxiv » 1109.0107

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Crystal nucleation as delocalization of local symmetry breaking in supercooled liquid
John Russo ; Hajime Tanaka ;
Date 1 Sep 2011
AbstractBy means of computer simulations of the simplest nontrivial model of a liquid, the hard sphere system, we show that, in contrast to classical nucleation theory, the crystallization process does not occur homogeneously in the melt, but in pre-existing regions of high orientational order. This provides a new selection principle of crystal polymorph: the crystal to be formed first has the local symmetry of the ordered regions. Furthermore, we find that the liquid-solid transition occurs microscopically without any density change, and is instead characterized by a discontinuous jump of the orientational order, contrary to the common belief that crystal nucleation accompanies the jump in local density. Crystal nucleation is, thus, triggered by the transition from local to extended symmetry breaking, and not by translational ordering.
Source arXiv, 1109.0107
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