Sharif Digital Repository

In this study, a new multi-scale hierarchical technique has been employed to investigate the role of edge dislocation on nano-plates with hex atomic structure in large deformation. Two multiscale hierarchical atomistic/molecular dynamics (MD)–finite element (FE) coupling methods are proposed to illustrate the influence of temperature on mechanical properties of Magnesium in large deformation. The atomic nonlinear elastic parameters are obtained via computing second-order derivative of Representative atom’s energy and RVE’s strain energy density with respect to deformation criterions (deformation gradient and Green strain tensor) to bridge between atomistic and continuum level, the... 

In this study, a novel multi-scale hierarchical method has been employed to explore the role of edge dislocation on Nano-plates with hexagonal atomic structure in large deformation. multiscale hierarchical atomistic/molecular dynamics (MD) finite element (FE) coupling methods are proposed to demonstrate the impact of dislocation on mechanical properties of Magnesium in large deformation. The atomic nonlinear elastic parameters are attained via computing first-order derivation of stress with respect to strain of Representative Volume Element (RVE). To associate between atomistic and continuum level, the mechanical characteristics are captured in the atomistic scale and transferred to the...