Moving window techniques to model shock wave propagation using the concurrent atomistic–continuum method

Atomistic methods have successfully modeled different aspects of shock wave propagation in materials over the past several decades, but they suffer from limitations which restrict total runtime and system size. Multiscale been able to increase length time scales that can be employing such schemes simulate evolution through engineering-scale domains is an active area research. In this work, we develop two distinct moving window approaches within a Concurrent Atomistic–Continuum (CAC) framework model one-dimensional monatomic chain. first method, entire CAC travels with conveyor fashion maintains front middle overall domain. second atomistic region follows by simultaneous coarsening refinement continuum regions. The frameworks are verified dispersion relation studies phonon packet tests. We achieve good agreement between simulated velocities values obtained theory technique, while coarsen-refine technique allows us follow propagating large-scale This work showcases ability method accurately shocks also demonstrates how used multiscale study highly nonlinear, transient phenomena.