Multi-scale modeling strategies in materials science -- The quasicontinuum method

摘要

The problem of prediction of finite temperature properties of materials poses great computational challenges. The computational treatment of the multitude of length and time scales involved in determining macroscopic properties has been attempted by several workers with varying degrees of success. This paper will review the recently developed quasicontinuum method which is an attempt to bridge the length scales in a single seamless model with the aid of the finite element method. Attempts to generalize this method to finite temperatures will be outlined.