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Crystallization and vitrification of tetrahedral liquids are important bothfrom a fundamental and a technological point of view. Here, we study viaextensive umbrella sampling Monte Carlo computer simulations the nucleationbarriers for a simple model for tetrahedral patchy particles in the regimewhere open tetrahedral crystal structures (namely cubic and hexagonal diamondand their stacking hybrids) are thermodynamically stable. We show that bychanging the angular bond width, it is possible to move from a glass-formingmodel to a readily crystallizing model. From the shape of the barrier we inferthe role of surface tension in the formation of the crystalline clusters.Studying the trends of the nucleation barriers with the temperature and thepatch width, we are able to identify an optimal value of the patch size thatleads to easy nucleation. Finally, we find that the nucleation barrier is thesame, within our numerical precision, for both diamond crystals and for theirstacking forms.

Nucleation barriers in tetrahedral liquids spanning glassy and crystallizing regimes