Crystal Growth of the Lennard-Jones (100) Surface by Means of Equilibrium and Nonequilibrium Molecular Dynamics

Abstract

On the basis of Onsager’s hypothesis a new method is presented to calculate growth rate constants of various crystal faces from the fluctuations of interfaces during NVT simulations. The method is applied to the (100) face of a Lennard-Jones crystal grown from the melt. The results are in perfect agreement with those obtained by means of NPT nonequilibrium… (More)

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@inproceedings{Briels1997CrystalGO, title={Crystal Growth of the Lennard-Jones (100) Surface by Means of Equilibrium and Nonequilibrium Molecular Dynamics}, author={W. J. Briels and Harold Tepper}, year={1997} }