A multiscale coupling method for the modeling of dynamics of solids with application to brittle cracks |
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Authors: | Xiantao Li Jerry Z Yang Weinan E |
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Institution: | 1. Department of Mathematics, Pennsylvania State University, University Park, PA 16802, USA;2. School of Mathematical Sciences, Rochester Institute of Technology, Rochester, NY 14623, USA;3. Department of Mathematics and Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ 08544, USA |
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Abstract: | We present a multiscale model for numerical simulations of dynamics of crystalline solids. The method combines the continuum nonlinear elasto-dynamics model, which models the stress waves and physical loading conditions, and molecular dynamics model, which provides the nonlinear constitutive relation and resolves the atomic structures near local defects. The coupling of the two models is achieved based on a general framework for multiscale modeling – the heterogeneous multiscale method (HMM). We derive an explicit coupling condition at the atomistic/continuum interface. Application to the dynamics of brittle cracks under various loading conditions is presented as test examples. |
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Keywords: | Molecular dynamics Multiscale methods Crystalline solids |
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