Defects Induced Variations in Thermal and Mechanical Properties of Graphene-Silver (C-Ag) Nanocomposites: A Molecular Dynamics Simulation

Abstract

A Single Layered Graphene (Gr)sheet exhibit extraordinary mechanical and thermal properties. Understanding the GN/Ag contact is crucial for analyzing the impact on dislocation movements and how it influences thermo-mechanical performance. In this work we have create defects in graphene sheet by removing single or multiple atoms. Three orientations of Ag ((1 0 0), (1 1 0), and (1 1 1)) and different defects concentrations in monolayer graphene were selected to study the impact of temperature and stress during heating, dislocation nucleation can be caused by edges in graphene in addition to the interface. The melting temperatures of defective GN/Ag (1 0 0), GN/Ag (1 1 0), and GN/Ag (1 1 1) were measured at 300K.Additionally, all samples underwent ultimate tensile stress. The stress of defective GN/Ag (1 0 0), defective GN/Ag (1 1 0), and defective GN/Ag (1 1 1) was determined. For (100) orientation was 16.0GPa, for (110) orientation is 12.01GPa, for (111) orientation was 14.2GPa. So, we can see here ultimate tensile stress is better in (100) orientation then other orientations. According to the data provided, GN/Ag nanocomposites show promise for use in heat management applications.