Исследование Структуры Градиентного Аморфного Углерода, Полученного Закалкой Жидкого Углерода

Abstract

A new method for obtaining graded amorphous carbon using quenching of a graphite melt on a diamond substrate is proposed. Using molecular dynamics modeling of liquid carbon quenching on a cold diamond substrate, it is shown that the amorphous carbon obtained in the experiment is a material with a strongly gradient structure and properties along the depth of the sample. This is due to the quenching rate decrease with the distance from the substrate in the range of 10^14-10^12 K/s. In this case, the density of amorphous carbon varies from 1.50 g/cm^3 to 1.93 g/cm^3. The spatial change in the structural characteristics of the obtained amorphous carbon was studied: the distribution of carbon atoms according to the degree of chemical bond hybridization (sp^1, sp^2, sp^3), the radial distribution function, the angular distribution function, and a statistical analysis of carbon rings were carried out. It is shown that at a pressure in liquid of 1 GPa, the carbon structure within the quenched zone changes from a highly porous structure with a large number of sp^1 chains of carbon atoms near the substrate to an amorphous graphene structure at the periphery.