Multiscale Modeling and Simulation Methods
This chapter is dedicated to a discussion of multiscale modeling and simulation methods. These approaches are aimed to provide a seamless bridge between atomistic and continuum approaches, sometimes by introducing intermediate “mesoscopic” methods of simulation. This chapter gives a brief overview over available models and approaches, along with a discussion of the historical development. The quasicontinuum method and a hybrid ReaxFF method are discussed in more detail. Several case studies are reviewed.
KeywordsAtomistic Modeling Multiscale Modeling Material Failure Multiscale Method Classical Molecular Dynamic
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