LennardJones

From Wiketomica
Jump to: navigation, search
Introduction
Background
Basic Layout
Examples
Problems
Run Simulation
Assessment
Credits
Etomica Modules

This module describes and demonstrates some of the elementary thermophysical properties of interest in the study of fluid phases. Here we 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.

Run the simulation