Molecular dynamics study of the surface nano bubble’s contact angle and volume

The current study presents the molecular dynamics simulations of a surface nanobubble on the liquid-solid interface, where the liquid phase consists of argon and dissolved neon, while the gaseous phase consists of neon and argon vapor. The interactions between all the particles are determined by the Lennard–Jones potential. The contact angle and the bubble volume are studied as a function of the Lennard–Jones parameters for the liquid-solid and gas-solid interactions. Moreover, the influence of gas concentration on the system behavior is studied. The simulations are performed for the systems of tens nm in size, which contain millions molecules. Such simulations are enabled by the use of the developed by authors data structure and the hardware acceleration based on graphics processors.