Modelling of structural materials

Abstract

A brief review is presented of modelling techniques that can facilitate the complex task of developing new and improved structural materials. Materials modelling covers a wide range of techniques spanning over 10 orders of magnitude in spatial dimension that can be used in combination to provide cost effective solutions to materials problems. This paper looks more specifically at methods that make quantitative predictions of the relationship between atomic structure and engineering properties in a material, which is an essential component of the overall modelling hierarchy. Practical examples are used to illustrate some of the advantages that modelling can bring to a materials development project, with emphasis upon polymers, where modelling is established as an important tool in all aspects of development, processing, and application of the material.

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