Molecular Dynamics Simulation of a Liquid Droplet on a Solid Surface

Japanese mode is here.


Graduate Student: Toshitake KURASHIGE

Four hundred argon molecules represented the liquid droplet and the vapor in contact with the solid surface which was composed of up to 3 layers of molecules with the harmonic potential. The interaction potential between argon molecules and solid surface molecules was expressed by the Lennard-Jones potential. From simulations for various length scale sINT and energy scale eINT of this potential, it was found that cosine of the measured contact angle was well correlated by the depth eSURF of the integrated surface potential proportional to eINT*sINT2/R02. The effect of the thermal motion of the solid surface was negligible on the measured contact angle, the layered structure observed in the density profile, and the Brownian motion of the liquid droplet.

An example of calculated liquid droplet on surface

A liquid droplet in contact with a solid surface is calculated by molecular dynamics method. The solid material is made of metal and the liquid and vapor are argon.





Contact: maruyama [at] photon.t.u-tokyo.ac.jp