The computational analysis of the radial distribution function in a many body, Lennard Jones system

Title

The computational analysis of the radial distribution function in a many body, Lennard Jones system

Authors

Presenter(s)

Gregg Legters

Files

Description

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.

Publication Date

4-5-2017

Project Designation

Course Project - Graduate

Primary Advisor

Ivan Sudakov

Primary Advisor's Department

Physics

Keywords

Stander Symposium poster

The computational analysis of the radial distribution function in a many body, Lennard Jones system

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