Modeling the mechanical properties of nanoparticles: a review

Nanoparticles are commonly used in various fields of applications such as electronics, catalysis or engineering where they can be subjected to a certain amount stress leading structural instabilities irreversible damages. In contrast with bulk materials, nanoparticles sustain extremely high stresses (in the GPa range) and ductility, even case originally brittle materials. This review article focuses on modeling mechanical properties nanoparticles, an emphasis elementary deformation processes. Various simulation methods described, from classical molecular dynamics calculations, best suited method when applied mechanics dislocation based hybrid methodologies. We detail behaviour for large array material classes (metals, semi-conductors, ceramics, etc.), well their Regular crystalline addressed, more complex systems nanoporous core-shell particles. addition exhaustive recent works published topic, challenges future trends proposed, providing solid foundations forthcoming investigations.