Negin Maftouni - Phd student of Tehran University Nanotechnology-Mechanical Engineering
Azadeh Shahidian - Phd student of K.N.T. University Mechanical Engineering
Mojtaba Shariati Niasar - Associated Professor of Tehran University Chemistry Engineering

In this paper two most practical non classical modeling and simulation methods, Molecular Dynamics (MD) and Lattice-Boltzman (LB) are introduced. The equations, algorithms and softwares have been studied. In addition some of the applications of each method are listed. The goal of this study is to investigate the efficiency of these methods for different problems to give a criterion for selecting the best method for any problem. In some multiscale problems it is recommended to use hybrid methods.

Nano scale, Molecular Dynamic, Lattice Boltzmann, Simulation, Modeling