Multiscale materials modelling: Procedures, examples and challenges

Abstract eng:
In the recent past, Multiscale Materials Modelling (MMM) became a central approach in understanding present day’s complex composites and in achieving progress in the development of advanced materials. There exists, however, a discrepancy between available results described in literature and the expression “multiscale modelling”, because typical cases are treated with two length scales only and sometimes additional one or two time scales. The present paper will describe several running multiscale examples which are used in analyzing pipeline steel weldments, metal/ceramic interfaces, and fatigue problems of metals and polymer material development which are employed for a better understanding of physical phenomena in the materials leading to their deformation and fracture behavior. It will be shown that not only several length and time scales are required but also several methods have to be involved for performing successful hierarchical analyses with quantitative results in the field of modern materials research. In addition, studies will be shown which provide the basis for new material alloys when taking ab-initio, Monte Carlo or Molecular Dynamics modelling approaches into account. As an example solid solution hardening is considered for Fe-base materials where property predictions are in close agreement to experimental findings.

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