Crystal Growth of the Lennard-Jones (100) Surface by Means of Equilibrium and Nonequilibrium Molecular Dynamics
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چکیده
منابع مشابه
Crystal Growth of the Lennard-Jones (100) Surface by Means of Equilibrium and Nonequilibrium Molecular Dynamics
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 simulations. The new method allows for...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 1997
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.79.5074