Adaptive atomistic-to-continuum modeling of propagating defects

摘要

An adaptive atomistic-to-continuum approach is presented for modeling material defects andinhomogeneous deformations as they propagate.The method extends the bridging domain method(BDM) to allow the atomic domain to dynamically conform to the evolving defect regions duringa simulation,without introducing lattice disruptions or shocK–Waves,and without requiringMesh refinement.