Simulation of mechanical properties of two-dimensional silicon carbide film with stochastically distributed vacancy defects

Abstract

The tensile dynamics of two-dimensional silicon carbide (2D-SiC) films containing stochastically distributed vacancy defects were investigated using molecular dynamics simulations. The findings indicate that the mechanical properties of the films, including fracture strength, strain at break, and Young’s modulus, are little affected by the film size and the type of vacancy-containing defects, whereas the temperature and the concentration of defects have more significant effects on the mechanical properties. The mechanical properties of the films decreased significantly with the increase in the concentration of vacancy defects (temperature). Furthermore, the influence of vacancy defect types on film mechanical characteristics exhibits temperature-dependent variations. The fundamental understanding of the mechanical behavior provides useful guidance for the design of electronic devices using 2D-SiC films and possible limitations.