The effect of electric charge on the mechanical properties of graphene under tensile loading is investigated by using molecular dynamics method.A modified atomistic moment method based on the classical electrostatics ...The effect of electric charge on the mechanical properties of graphene under tensile loading is investigated by using molecular dynamics method.A modified atomistic moment method based on the classical electrostatics theory is proposed to obtain the distribution of extra charges induced by an external electric field and net electric charges stored in graphene.The electrostatic interactions between charged atoms are calculated using the coulomb law.The results show that the Young's modulus and the critical fracture stress under uniaxial tension decrease with the increase of electric potential and net charges on graphene.The failure of graphene induced by electric charges is found to be controlled by charge level.The results indicate that the carbon-carbon bonds at the edge of graphene will break first.展开更多
基金supported by the National Natural Science Foundation of China (Grant Nos. 11072093 and 11121202)
文摘The effect of electric charge on the mechanical properties of graphene under tensile loading is investigated by using molecular dynamics method.A modified atomistic moment method based on the classical electrostatics theory is proposed to obtain the distribution of extra charges induced by an external electric field and net electric charges stored in graphene.The electrostatic interactions between charged atoms are calculated using the coulomb law.The results show that the Young's modulus and the critical fracture stress under uniaxial tension decrease with the increase of electric potential and net charges on graphene.The failure of graphene induced by electric charges is found to be controlled by charge level.The results indicate that the carbon-carbon bonds at the edge of graphene will break first.
