Molecular dynamics simulation of a 2D Lennard-Jones liquid

Demonstration

LJ2MDApp

Downloads

Download: source code.

Explanation

The potential between two particles is given by

V(r) = 4 (r−12r−6),
where r is the distance between the two particles. The potential energy of the system is the sum of potentials from all pairs.

To reduce the finite-size effect, we have used the periodic boundary conditions, and the potential is truncated at half box size.