Molecular dynamics simulation of nonodroplets with the modified Lennard-Jones potential function

Abstract

An Argon droplet in contact with a Platinum surface was simulated by molecular dynamics method. Argon molecules were modeled with modified Lennard-Jones potential function and the Platinum surface was represented by three layers of molecules. The system temperature is fixed at saturation temperature from 72 to 108 K. An Argon droplet in contact with a Platinum surface is also simulated, at different solid–fluid combinations $$ \left( {{\frac{{\varepsilon_{sf} }}{\varepsilon }}} \right) $$ (at fixed $$ \sigma_{sf} = 0.9\sigma $$ ) from 0.4 to 0.8, and at a temperature of 84 K. It is concluded that the contact angle decreases by increasing system temperature and increases when solid–fluid interaction energy parameter decreases. When the temperature is high enough, the contact angle drops to zero.