Multi-scale modeling of mechanical behavior of polycrystalline materials

A systematic procedure for multi-scale computational modeling is presented to simulate polycrystalline material behaviors for structural application. The modeling procedure bridged different length scales, from macro-scale to nano-scale, by proper flow of information from one scale to the next scale. The multi-scale model could include material characteristics at different length scales like nano-, micro-, meso-, and macro-scale. Both finite element analysis and molecular dynamics were used in the multi-scale analysis. An example of a large plate with a center hole is given to demonstrate the multi-scale modeling procedure.