An important charter in the ICMSE initiative is to develop and solve micro-scale and meso-scale initial-boundary value problems subject to monotonic and cyclic loading conditions with explicit representation of heterogeneities in the form of fibers, defects, precipitates, grains and their boundaries and sub-grain phases. Prediction of the evolution of deformation, shear bands, nucleation and growth of damage and their interaction with heterogeneities, is of high interest. Stress and strain localization in the microstructure and their interaction with defects, such as interfaces, grain boundaries lead to multiple failure sites both in monotonic and cyclic loading conditions.
This project will develop novel spatial and temporal multi-scale models and codes for deformation, localization, and failure of heterogeneous materials and structures. In spatial multi-scaling, hierarchical and adaptive-concurrent multi-level models will incorporate bottom-up and top-down coupling between scales equipped with “error indicators” for transcending scales. Novel methods of temporal multi-scaling will be developed for accelerated MD and fatigue simulations.