Tribological and mechanical behavior of metals and polymers simulated by molecular dynamics

Abstract

Molecular dynamics computer simulations provide experimentally inaccessible insights into behavior of materials. The insights facilitate development of materials with improved properties, but at the same time are quite useful in instruction. We describe recent applications of the molecular dynamics technique in simulations of mechanical behavior of metals and polymeric materials and also of tribological behavior of polymers. Simulation results in the form of computer animations can be used as a powerful teaching tool to complement traditional instruction methods.