I'm running an NVT (constant number of particles, volume and temperature) Monte Carlo simulation (Metropolis algorithm) of particles in two dimensions interacting via Lennard-Jonse potential (U=4(1r12−1r6), in reduced units). boundary conditions are periodic.
From this simulation I'm calculating the instantaneous pressure and potential energy. in the first steps the system is not in equilibrium, so I need to start averaging after the system is in equilibrium.
I'm starting my simulation from a random configuration.
My question: even after the system has reached equilibrium, it fluctuates around this equilibrium. these fluctuations may be large for large temperatures. so how do I know that I have reached equilibrium?
Here are some examples of the curve:
↑

↑

↑
No comments:
Post a Comment