Mc04最新版-绪论及蒙特卡罗方法.ppt

计算物课程参考书 Tao Pang: “An introduction to Computational Physics” 1997. Andrew R. Leach: “Molecular Modelling” 1996 K.H. Hoffmann, M.Schreiber “Computational Physics” 1996 Force Field -Van der Waals Lennard-Jones potential, useful to representing van der Waals force and model for noble gases Properties of Interests Average energy, specific heat, free energy Pair correlation functions Equation of state (pressure) Pair Correlation Let ρ(r) = ∑i δ(r-ri), we define the pair correlation function as g(r) = ρ(r’) ρ(r’+r) Both the average potential energy and pressure can be expressed in terms of g(r) (for system with pair-wise potentials). Most Recent Work on 2D Hard disks The hexatic phase of the two-dimensional hard disks system A. Jaster May 11, 2003 We report Monte Carlo results for the two-dimensional hard disk system in the transition region. Simulations were performed in the NVT ensemble with up to 10242 disks. The scaling behaviour of the positional and bond-orientational order parameter as well as the positional correlation length prove the existence of a hexatic phase as predicted by the Kosterlitz-Thouless-Halperin-Nelson-Young theory. The analysis of the pressure shows that this phase is outside a possible first-order transition. Cond-mat/0305239 In 1925, Pro. Lenz suggested to his graduate student Ernst Ising to solve a statistical mechanics problem relevant to the magnetic properties of matter. Ising was able to solve it on a one-dimensional lattice. Almost twenty years were passed before L. Onsager found analytic solution to the two- dimensional version of the problem. The Ising Model The spin is in one of only two states: up or down. Moreover, we usually assume that only nearest neighbors influence each other. This simplification is ideal for computers; only one bit is needed for each site. The Ising Model H 1 2 3 4 N ?:(1,1,1,1,-1,-1,-1,-1,1,1); {Si }=(S1 S2 , ?,