ANALYSIS OF ATOMISTIC/CONTINUUM COUPLING USING MESHLESS METHODS

In this paper, we compare three interpolation functions in a discretized continuum when used in coupled dynamic atomistic-to-continuum simulations. The focus is on assessing the ability of the discrete continuum model to capture and accurately represent transient effects, namely a travelling longitudinal wave, through both the mixed atomistic-continuum interface and the non-uniform continuum mesh beyond. We specifically examine the differences among Bubnov-Galerkin, partition of unity, and moving least squares finite element methods in the continuum part of the multiscale model. Our study shows that using partition of unity interpolation functions in the continuum produces superior results compared to the other two approaches