Molecular dynamic simulation for investigation of temperature, neck length and sheet size influence on mechanical properties of graphene nanobud

Subject Areas : Creep, Fatigue and Fracture Mechanic

marjan khorasani ¹ , Abdolhosein Fereidon ²

1 - دانشجو
2 - Department of Mechanical Engineering, Semnan University, Semnan, Iran.

Received: 2015-11-09 Accepted : 2016-10-19 Published : 2013-08-23

Keywords: Mechanical Properties, Molecular dynamics simulation, Young's modulus, graphene nanobud,

Abstract :

Carbon has several allotropes. One of the newest carbon allotrope is graphene nanobud. It isn’t available in laboratory. Graphene nanobud is formed by connecting fullerene and graphene sheet. Molecular dynamic simulation is used for calculating mechanical properties of graphene nanobuds. Influence of temperature, neck length and size of graphene sheet are estimated in this study. The results shows that Young’s modulus has a little changes with temperature arrises. In another word, with increasing temperature the Young’s modulus doesn’t change very much and just alittle decrease. Also seen that in constant temperature with increasing the size of graphene sheet, the Young’s modulus arises. Our simulation findings afford not only a molecular level understanding of graphene nanobud but also may be instructive to mechanical engineers and scientists who attempt to develop effective mechanical properties.