Young's moduli of nanotubes (pure or embedded)
Nanotubes - based on carbon, or boron-nitride or embedded in composite materials – are a promising class of new materials with highly relevant properties. The nano-tubes' response e.g. to stress and other properties are accessible via sophisticated MD simulations, employing the Parrinello-Rahman approach. To capture realistic behaviour beyond a material's linear response all systems are modelled with a reactive many-body bond order Tersoff-potential, which is able to accurately describe covalent bonding and rupture.