Title :
Effects of free edges and vacancy defects on the mechanical properties of graphene
Author :
Dewapriya, M.A.N. ; Rajapakse, R.K.N.D.
Author_Institution :
Sch. of Eng. Sci., Simon Fraser Univ., Burnaby, BC, Canada
Abstract :
Defects are unavoidable during synthesizing and fabrication of graphene based nanoelecromechanical systems. This paper presents a comprehensive molecular dynamics simulation study on the mechanical properties of finite graphene with vacancy defects. We characterize the strength and stiffness of graphene using the concept of surface stress in three-dimensional crystals. Temperature and strain rate dependent atomistic model is also presented to evaluate the strength of defective graphene. Free edges have a significant impact on the stiffness; the strength, however, is less affected. The vacancies exceedingly degrade the strength and the stiffness of graphene. These findings provide a remarkable insight into the strength and the stiffness of defective graphene, which is critical in designing experimental and instrumental applications.
Keywords :
elastic constants; graphene; internal stresses; materials preparation; molecular dynamics method; nanomechanics; tensile strength; vacancies (crystal); C; free edge; graphene based nanoelecromechanical system; graphene stiffness; graphene strength; mechanical properties; molecular dynamics simulation; strain rate dependent atomistic model; surface stress; temperature dependent atomistic model; vacancy defect; Atomic measurements; Computational modeling; Graphene; Mathematical model; Strain; Stress; Temperature dependence; Graphene fracture; effects of free edges; molecular dynamics; nanomechanics; vacancy defects;
Conference_Titel :
Nanotechnology (IEEE-NANO), 2014 IEEE 14th International Conference on
Conference_Location :
Toronto, ON
DOI :
10.1109/NANO.2014.6968087