Liquid carbon quenching on a cold diamond layer: Multiparticle molecular dynamics simulation

Abstract

In the present paper, in order to create the model structure of amorphous carbon, we have performed classical molecular-dynamic calculations of liquid carbon quenching on a cold diamond substrate. For this purpose a double-layer simulation cell diamond-liquid carbon containing 90 000 atoms of carbon at a pressure of 1.2 GPa has been used. We have exploited a classical potential ReaxFFC-2013. Characteristic quenching rates versus the distance from the diamond substrate and the velocity of thermal front of quenching have been obtained. The influence of the number of particles in a simulation cell on the results has been investigated as well.