STUDYING THE STRUCTURE AND THERMODYNAMIC PROPERTIES OF 2-DIMENSIONAL SILICENE MATERIALS WHEN COOLED QUICKLY BY SIMULATING MOLECULAR DYNAMICS

Abstract

This paper presents the results of two-dimensional silicene cooling studies by MD simulation with a sample of 6400 atoms. Silicene after melting to 3500K, it is cooled at a rate of 10¹³K/s to a temperature of 300K. Investigation of the dependence of energy on temperature shows a jump in the average total energy of molten silicene at the temperature T = 1772K. Investigations on the radial distribution function g(r), coordinate number distribution, ring distribution, and angular distribution all show that the freezing temperature of silicene is about 1772K. When cooled to 300K, silicene is in crystalline form, but the ratio of the defects is quite high and about 37.5%.