Abstract
Monte Carlo simulation has been performed for 4th-inverse power potential near the freezing point using parallel computers. The pair distribution function and structure factor are calculated at the same time during simulation. The obtained structure factor is different in the low wavenumber region from the result reported by Hansen and Schiff. Effective pair potentials for liquid Na near the melting point have been extracted from these two sets of low wavenumber structure factors with the help of experimental structure factors. The experimental structure data in the low wavenumber region can be well reproduced by a molecular dynamics simulation using the present effective pair potential. The results for the pair distribution function and some physical properties are presented in comparison with the experimental data.
Published Version
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