Stability of matching boundary conditions for diatomic chain and square lattice

Stability of MBC1, a specific matching boundary condition, is proved for atomic simulations of a diatomic chain. The boundary condition and the Newton equations that govern the atomic dynamics form a coupled system. Energy functions that decay along with time are constructed for both the boundary with the same type atoms and the one with different type atoms. For a nonlinear chain, MBC1 is also shown stable. Numerical verifications are presented. Moreover, MBC1 is proved to be stable for a two dimensional square lattice.