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This work presents the development of a computational approach to evaluate the radial distribution function for a large ensemble of particles with Lennard-Jones interactions. Whereas the equilibrium distance between two Lennard-Jones bodies can be analytically determined, the analysis of the average interaction distance in a non-crystalline many-body system must be performed numerically. Furthermore, a distribution function for the particle density surrounding a particle gives a more detailed description of the structure of the medium than just the average distance. For this moving, stochastic, and finite temperature system of particles, a velocity verlet algorithm was implemented to simulate an ensemble of particles whose interactions are sufficiently described by the Lennard-Jones potential. Periodic boundary conditions were used, and an algorithm to sample the radial distribution function, g(r), was written. Both the time average and the evolution of g(r) are presented.
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Stander Symposium poster
"The computational analysis of the radial distribution function in a many body, Lennard Jones system" (2017). Stander Symposium Posters. 1083.