New perspectives for discrete element modeling: Merging computational geometry and molecular dynamics

Abstract

One of the most challenging problems in the realistic modeling of granular materials is how to capture the real shape of the particles. Here we present a method to simulate systems with complex-shaped particles. This method integrates developments in two traditionally separate research areas: computational geometry and molecular dynamics. The computational geometry involves the implementation of techniques of computer graphics to represent particle shape and collision detection. Traditional techniques from molecular dynamics are used to integrate the equations of motion and to perform an efficient calculation of contact forces. The algorithm to solve the dynamics of the system is much more e..