Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations.
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DOI: 10.1103/physrevlett.119.015701
Abstract: Crystallization is a process of great practical relevance in which rare but crucial fluctuations lead to the formation of a solid phase starting from the liquid. As in all first order first transitions, there is… read more here.
Keywords: drive crystallization; crystallization; collective variables; enthalpy fluctuations ... See more keywords