The influence of interlayer interactions on the mechanical properties of polymeric nanocomposites

摘要

In this paper the influence of types of interlayer interactions on the elastic modules of multilayer graphene sheets (GS) and nanocomposites is studied. The modeling and investigation of mechanical properties of graphite layers are performed using molecular mechanics (MM) method. Initially, due to improving the model and decreasing the amount of computations, three types of elements such as beam, linear spring and nonlinear spring are used. To continue, the mechanical properties of multilayers and nanocomposites are compared using three types of interlayer interactions. Initially, nonlinear spring defined by Leonard Jones potential is used to define interlayer interactions (ordinary case). To continue, linear spring with certain stiffness, to obtain an equal linear spring and also to investigate the ultimate capacity of interlayer interactions in the force translation, by increasing the stiffness of linear springs, is employed (chemical change). Then once by omitting all Van der Waals interactions and defects creation in graphite layers, they are devoted to create covalent interlayer interactions (using Morse potential) and another time, Van der Waals and covalent interlayer interactions are created spontaneously to study the properties of multilayers and nanocomposites (functionalization). The results are compared with other available literatures in this case to validate the modeling.