Gibbs Ensemble Molecular Dynamics


[startup structures]

Figure 1. A: Subsytems at the start of run

[structures after 50000 time units]

Figure 1. B: Subsytem snapshot after 50 time units (50000 iterations). Two yellow spheres are the fractions of an atom.


[density profile plot]

Figure 2: Approach to material equilibrium. The density profile over 200 time units for a run at T_star = 0.9 with time step 2.5 fs.