Atomistic simulation methods for computing the kinetic coefficient in solid-liquid systems

J. J. Hoyt, M. Asta, A. Karma, Interfacial Science, 10, 181 (2002).

The kinetic coefficient, mu , is the constant of proportionality between the velocity of a solid-liquid interface and the interface undercooling. The value of mu and its anisotropy are critical parameters in phase field modeling of dendritic solidification. In this paper we review several different molecular dynamics simulation methods which have been proposed to compute the kinetic coefficient. Techniques based on forced velocity simulations, free solidification simulations and fluctuation analyses are discussed and compared. In addition, a model of crystalline growth kinetics due to Broughton, Gilmer and Jackson (1982) will be compared with available atomistic simulation data.

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