Mechanical performance of polymer systems: The relation between structure and properties

A direct relation between molecular characteristics and macroscopic mechanical properties of polymeric materials was subject of a vast number academic and industrial research studies in the past. Motivation was that an answer to this question could, in the end, result in guidelines how to construct tailored materials, either on the molecular level or, in heterogeneous materials, on the micro-scale, that could serve our needs of improved materials without the need of extensive trial and error work. Despite all attempts, no real universally applicable success was reported, and it was only after the introduction of the concept of the polymer’s intrinsic deformation behavior that some remarkable progress could be recognized. Thus, it is first important to understand where intrinsic deformation behavior of polymeric materials stands for. Second, it is interesting to understand why this intermediate step is relevant and how it relates to the molecular structure of polymers. Third and, in the end, the most computational-modeling-based question to be answered is how intrinsic behavior relates to the macroscopic response of polymeric materials. This is a multi-scale problem like encountered in many of our present research problems. q 2005 Published by Elsevier Ltd.