Molecular dynamics study of nanodroplet diffusion on smooth solid surfaces
Zhao-Xia Niu1,2, Tao Huang1,3, Yong Chen1,2()
1. Center of Soft Matter Physics and its Applications, Beihang University, Beijing 100191, China 2. School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191, China 3. Institute of Theoretical Physics, Lanzhou University, Lanzhou 730000, China
We perform molecular dynamics simulations of Lennard–Jones particles in a canonical ensemble to study the diffusion of nanodroplets on smooth solid surfaces. Using the droplet-surface interaction to realize a hydrophilic or hydrophobic surface and calculating the mean square displacement of the center-of-mass of the nanodroplets, the random motion of nanodroplets could be characterized by shorttime subdiffusion, intermediate-time superdiffusion, and long-time normal diffusion. The short-time subdiffusive exponent increases and almost reaches unity (normal diffusion) with decreasing droplet size or enhancing hydrophobicity. The diffusion coefficient of the droplet on hydrophobic surfaces is larger than that on hydrophilic surfaces.
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