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

VS Dozhdikov and AY Basharin and PR Levashov, XXXIII INTERNATIONAL CONFERENCE ON EQUATIONS OF STATE FOR MATTER, 1147, 012008 (2019).

DOI: 10.1088/1742-6596/1147/1/012008

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 ReaxFF(C-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.

Return to Publications page