计算模拟5-random-walkI.pptVIP

Roughly speaking, entropy is a measure of the amount of disorder. Roughly speaking, entropy is a measure of the amount of disorder. Roughly speaking, entropy is a measure of the amount of disorder. * * Computational Physics N.J. Giordano,H. Nakanishi An Introduction to Computer Simulation Methods applications to physical systems H. Gould J. Tobochnik Addison Wesley Publishing Co.(2nd Edition) A Guide to Monte Carlo Simulations in Statistical Physics David P. Landau Kurt Binder RANDOM WALKS Cream-in-your-coffee problem We want to reconsider it from the point of view of nonequilibrium statistical mechanics and use it to illustrate how a system approaches equilibrium. RANDOM WALKS Our initial conditions are: A cup of coffee containing a drop of cream at its center. For simplicity, we consider a two- dimensional cup with an initial cream distribution as shown in Fig. 1. RANDOM WALKS Fig. 1: The initial (t=0)cream distribution in which all of the particles were near the center of the cup. RANDOM WALKS Each of these particles executes a random walk on a 2D square lattice. There were 400 particles constrained to a 200?200 square lattice. At each time step, we choose a particle at random and let it take one step in its random walk. The configurations after 104,105,and 106 time steps are shown in Figs. 2 and 3. RANDOM WALKS Fig. 2: Random-walk simulation of diffusion of cream in coffee. After t=104 time steps, only a little spreading has taken place. RANDOM WALKS Fig. 3: Continuation of the random-walk simulation in Fig. 2. Left: after t=105 time steps; right: after t=106 time steps. RANDOM WALKS As expected, the cream spreads with time in a manner that appears by eye to be diffusive. We have assumed that there are walls at x= ?100 and y= ?100, so the particles are constrained to stay in the region shown here. Here we want to carry this example one step further, and discuss how it related to the second law of thermodynamics an