Molecular Dynamics Simulation of Potassium Chloride Melting(.I. Microcrystal Simulation and Sample Size Effect)


Physics, Isfahan University of Technology


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.