Multiscale Discrete Element Modeling

A multiscale approach to discrete element modeling is presented. distinctive feature of the method that each macroscopic has an associated atomic sample representing material’s structure. The dynamics elements on macro and micro levels are described by systems ordinary differential equations, which solved in a self-consistent manner. full cycle simulations applied polycrystalline silicon. Macroscale elastic properties silicon were obtained only using data extracted from quantum mechanical properties. results computational experiments correspond well reference data.