Computational Nanomechanics of Materials

We present a review of computational methods and their applications for nanoscale mechanics of materials. Brief introductory overviews of first-principles calculations and molecular dynamics simulations are first provided, followed by various applications such as fracture mechanics and plasticity at the nanoscale. Next, recent advancement of multiscale materials modeling is reviewed, spanning from electronic scale to continuum scale. Among many multiscale methods, two newly proposed methods, the multiscale continuum theory and the virtual atom cluster model, are introduced with more details.