Evaluation of the mechanical properties and interfacial thermal resistance of hybrid BC6N–BC2N

The mechanical properties and interfacial thermal resistance (ITR) of hybrid BC6N-BC2N structure are studied via molecular dynamics (MD) simulation. Different vacancy atoms type (B, N and C) dramatically affect the ITR and mechanical properties of hybrid BC6N-BC2N. When the vacancy defects are positioned throughout the entire or interface of hybrid structure, the ITR of hybrid structure increases. The effect of C atom vacancy defect on the ITR of hybrid structure is higher compared to others. The vacancy defects located along the interface have more influence on the ITR than those located throughout the entire of hybrid structure. Hybrid structure indicates high mechanical properties. The mechanical properties of hybrid structure are studied for various strain rates and temperatures. At high temperature, the strain rate effects on the mechanical properties of hybrid structure are more pronounced. Additionally, the effects of temperatures on the mechanical properties of hybrid structure rise at low strain rate. As the concentrations of defects increase to 3%, the mechanical properties of defective hybrid structure reduce. C atom vacancy defect demonstrates the most influence on the mechanical properties. Besides, the vacancy defects located throughout the interface have less influence on the mechanical properties than the ITR.