Mechanical properties of graphyne and its family – A molecular dynamics investigation

In this work a series of carbon allotropes related to graphene, called graphyne, graphdiyne, gaphene-3, graphene-4 and graphene-5 are constructed by connecting two adjacent hexagonal rings with different number of acetylenic linkages. Mechanical properties of these monolayer networks are investigated through acting tensile loads on the architectures and molecular dynamics simulations are performed to calculate the fracture strains and associated...