Étude des instabilités à l'échelle atomique du graphène par la méthode asymptotique numérique

摘要: In this study, we present a numerical technique based on the Asymptotic Numerical Method (ANM) to deal with instability phenomena in context of molecular mechanics simulation. Systems investigated consist atomic-scale single walled lattice structures (such as graphene sheets) and are subjected quasi-static tensile loading. The presence instabilities within structure brings about significant influence mechanical behaviors at larger scale. Better computational efficiency can be observed compared classical methods such Newton-Raphson those that use conjugate gradient. Mots clefs : Methode asymptotique numerique ; instabilite