Atomic model and coupling with continuum model for static equilibrium problems
This paper presents a computational technique to model and simulate atomic behaviour of materials under static loads. Interatomic potential energy was used to maintain equilibrium among atoms under loads and constraints. In addition, the atomic model was coupled with the finite element analysis model so that more flexible loads and constraints could be applied to the atomistic model. Some example problems were presented to illustrate the developed technique.
atomic model static equilibrium finite element analysis nanomechanics molecular dynamics