Crystal growth and interface relaxation rates from fluctuations in an equilibrium simulation of the Lennard-Jones (100) crystal-melt system

H.L. Tepper, Willem J. Briels

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Abstract

The kinetic coefficient of crystallization is calculated according to a previously introduced equilibrium method [Phys. Rev. Lett. 79, 5074 (1997)]. The existence of two regimes of interface relaxation and macroscopic growth, such as they were found in previous nonequilibrium simulations, is fully confirmed by the results of the equilibrium method. Special attention is given to the relation between pressure fluctuations and fluctuations of the amount of crystalline material. Furthermore, we investigate the density and order parameter profiles of the interface and make a clear distinction between the instantaneous structure and the time-averaged profile which is usually presented.
Original languageUndefined
Pages (from-to)5186-5195
Number of pages10
JournalJournal of chemical physics
Volume116
Issue number12
DOIs
Publication statusPublished - 2002

Keywords

  • IR-59755
  • METIS-207182

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