Comparisons of coupling General Finite Element Techniques with Molecular Dynamics
M. Macri1, P. Chung1
The International Conference on Computational & Experimental Engineering and Sciences, Vol.7, No.2, pp. 77-82, 2008, DOI:10.3970/icces.2008.007.077
Abstract 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, which generally fall under the framework of the meshless Petrov-Galerkin Finite Elements, in the continuum part of the multiscale model, where the key More >