Lennard-Jones Molecular Dynamics
|Last updated:||15 April 2012|
|File size:||670 KB|
Publisher description for Lennard-Jones Molecular Dynamics
This module describes and demonstrates some of the elementary thermophysical properties of interest in the study of fluid phases. Perform a molecular dynamics simulation of a system of molecules interacting according to the Lennard-Jones model potential. Properties calculated during the simulation include thermodynamic properties (the internal energy and the pressure), structural properties (the radial distribution function), and dynamic properties (the mean-square displacement as a function of time, and the velocity distribution). The module permits variation of the system density and temperture to examine their effect on the fluid behavior as characterized by these properties.