Molecular dynamics study of nanodroplet diffusion on smooth solid surfaces  

作　　者：Zhao-Xia Niu Tao Huang Yong Chen 

机构地区：[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

出　　处：《Frontiers of physics》2018年第5期103-108,共6页物理学前沿（英文版）

基　　金：This work was supported by the National Natural Science Foundation of China under Grant Nos. 11675008 and 21434001.

摘　　要：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 short- time 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 hydrophilie surfaces.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 short- time 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 hydrophilie surfaces.

关 键 词：NANODROPLET Brownian motion surface diffusion 

分 类 号：O561.3[理学—原子与分子物理] TQ028.32[理学—物理]