Investigate the fast melting process of 2D SiC model by molecular dynamics

Abstract

This paper presents the results of the study of fast melting process of 2-dimensional SiC by MD simulation with a sample of 400 atoms which consists of 200 Si atoms and 200 C atoms. The model is melted from 300K to 8000K at a rate of 10¹³ K/s. Investigation of energy dependence on temperature shows a jump of the average total energy of SiC model at temperature T = 5090K. Investigation of material microstructure by a radial distribution function, ring distribution, bonding angle distribution, even distribution number distribution showed that the phase transition temperature was about 5090K.