COMPARISON OF QUASICONTINUUM APPROACHES USING VARIOUS LEVELS OF SIMPLIFICATION

Abstract eng:
Atomistically based simulations of materials with disordered microstructure often lead to a high number of degrees of freedom (DOFs) and extreme computational costs. The quasicontinuum method (QC) is a multiscale simulation technique which combines fast continuum and exact atomistic approaches. The key idea of QC is to reduce the computational cost by reducing degrees of freedom of the fully atomistic approach. In the present work, the QC idea is applied to particle systems with elastic-brittle links representing a specific material microstructure. Three approaches using various levels of simplification based on the idea of QC are described and implemented. Accuracy and specific properties of QC-inspired approaches are evaluated by comparing the results with the fully resolved particle model.

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