Neck width effect on melting of graphene nanomesh

Molecular dynamics simulations are exploited to investigate the melting of graphene nanomesh. Theinteratomic interactions are described by the Reactive Empirical Bond Order potential (REBO). Melting temperature andlatent heat of fusion as a function of neck width of graphene nanomesh were calculated in isobaric, isothermal ensemble(NPT). We found that these quantities exhibit increasing behaviour versus neck width.

Keywords:

graphene nanomesh , neck width , melting