We present a multiscale model for numerical simulation of dynamics of crystalline solids. The method couples nonlinear elastodynamics as the continuum description and molecular dynamics as another component at the atomic scale. The governing equations on the macroscale are solved by the discontinuous Galerkin method, which is built up with an appropriate local curl-free space to produce a coherent displacement field. The constitutive data are based on the underlying atomistic model: it is either calibrated prior to the computation or obtained from molecular dynamics as the computation proceeds. The decision to use either the former or the latter is made locally for each cell based on suitable criteria.
All Science Journal Classification (ASJC) codes
- Modeling and Simulation
- Ecological Modeling
- Physics and Astronomy(all)
- Computer Science Applications