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Molecular Dynamics Computer Simulation of Crystal Growth and Melting in Al50Ni50 | | Ali Kerrache
; Juergen Horbach
; Kurt Binder
; | | Date: |
18 Feb 2008 | | Abstract: | The melting and crystallization of Al50Ni50} are studied by means of
molecular dynamics computer simulations, using a potential of the embedded atom
type to model the interactions between the particles. Systems in a slab
geometry are simulated where the B2 phase of AlNi in the middle of an elongated
simulation box is separated by two planar interfaces from the liquid phase,
thereby considering the (100) crystal orientation. By determining the
temperature dependence of the interface velocity, an accurate estimate of the
melting temperature is provided. The value k=0.0025 m/s/K for the kinetic
growth coefficient is found. This value is about two orders of magnitude
smaller than that found in recent simulation studies of one-component metals.
The classical Wilson-Frenkel model is not able to describe the crystal growth
kinetics on a quantitative level. We argue that this is due to the neglect of
diffusion processes in the liquid-crystal interface. | | Source: | arXiv, 0802.2529 | | Services: | Forum | Review | PDF | Favorites | |
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