Molecular dynamics investigation on the nano-mechanical behaviour of C<sub>60</sub> fullerene and its crystallized structure
Kuk-Jin Seo, Dae‐Eun Kim
Abstract
molecules experienced permanent deformation. The maximum values of the normal virial stress in the compression direction before the permanent deformation of the molecules were almost same for both the single and crystallized models.
Topics & Concepts
FullereneMolecular dynamicsMaterials scienceNano-Work (physics)Chemical physicsNanotechnologyDynamics (music)Computational chemistryThermodynamicsComposite materialChemistryOrganic chemistryPhysicsAcousticsFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials ResearchCarbon Nanotubes in Composites