A Dynamic Atomistic-Continuum Method for the Simulation of Crystalline Materials

摘要: We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics crystalline materials. The uses atomistic models such as molecular near interfaces, continuum away from interfaces. propose new class matching conditions between regions. These ensure accurate passage large scale information regions at same time minimize reflection phonons interface. They can be made adaptive if we choose appropriate weight functions. applications to dislocation dynamics, friction two-dimensional crystal surfaces fracture dynamics. compare results detailed model.