Multiscale modeling of armor ceramics

In this work a multiple length scale, multidisciplinary computational framework for simulating the response of ceramic materials subjected to dynamic loading is developed. The bridging between atomistic and mesoscopic length scales is addressed in a hierarchical fashion through the description of interfacial failure mechanisms and by passing bulk elastic properties. The mesoscopic length scale is treated using parallel, three-dimensional finite elements with microcracks explicitly represented on the grain boundaries using cohesive interface laws allowing investigation of crack nucleation, growth, and coalescence. The relationships at the atomic level are determined by molecular dynamics and quantum mechanical characterizations. While combining the individual pieces of the multiscale effort into a coherent framework are in the preliminary stages, this work demonstrates the feasibility of the approach and highlights areas where more attention is needed.