A Tool For Materials Exploration

We present a tool for the simulation and analysis of materials properties. This tool comprises simulation methods for models of materials (metal and polymer materials) as well as sophisticated visualization techniques to explore materials. Here we describe the basic design principles and an example application. INTRODUCTION The complex demands on materials require simulation tools to rapidly design new or redesign old materials with prescribed properties. The complexity and richness of possible materials makes it impossible to have just one generic tool comprising all possible situations. It is possible to develop simulation methods that in principle are able to handle the simulation of models for the design of materials. Examples are the Monte Carlo and the molecular dynamics method [1, 2], as well as methods derived from these two methods. In practice there are insurmountable problems if one tries to apply the bare or generic methods. In most cases a modification of the basic simulat..

Abstract A Tool for Materials Exploration

We present a tool for the simulation and analysis of materials properties. This tool comprises simulation methods for models of materials (metal and polymer materials) as well as visualisation techniques to explore materials. In this paper we describe the basic design principles. 1