Molecular Dynamics Simulation and Visualization
نویسندگان
چکیده
We have developed atomic-scale material models capable of melting, crystallization and amorphization. These models feature molecular dynamics governed by Langevin equations of motion in which particle interact through attractive covalent forces and short-range repulsion forces. Also, we present an interactive virtual visualization tool for the simulation of atomic scale material behavior. An application of this research is to understand the processes that can control the quality of a single-crystal Si grown from the melt.
منابع مشابه
Molecular Dynamics Simulation of Potassium Chloride Melting(.I. Microcrystal Simulation and Sample Size Effect)
The effect of sample size on the melting parameter of simulated potassium chloride microcrystal is investigated by molecular dynamics simulation. The size of microcrystal is varied from 8 to 4096 ions. The increase in melting temperature with sample size was found to be in good agreement with the theory.
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