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Monte Carlo Simulations for a Soft Sphere Fluid Public Deposited

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https://ir.library.oregonstate.edu/concern/undergraduate_thesis_or_projects/37720f15w

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  • In this paper I present the results of Monte Carlo simulations for a soft sphere fluid with a Weeks-Chandler-Anderson (WCA) pair potential. The results are compared to Soft Fundamental Measure Theory (SFMT) results obtained by our research group. One of the research group’s goals was to show that our SFMT is accurate over a wide range of reduced temperatures and densities. The radial distribution function and pressure calculations were accurate at temperatures below freezing and higher than room temperature as well as reduced densities ranging from 0.3 to 1.0. Experimental data for the radial distribution function of argon was matched very well using a soft-sphere fluid surrounding a sphere with a Leonard-Jones pair potential.
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