Wettability of a nanofluid droplet (ND) on rough substrate with fence pattern was researched by molecular dynamics (MD) method. The Embedded Atom Method (EAM) potential was used to model the interatomic interaction between nanoparticle atoms, solid rough substrate atoms and between these two. The effects of the surface morphology of substrate, the surface wettability of the nanoparticle, and the nanoparticle volume fraction (NVF) on the wettability of ND were studied. The vapor-liquid surface tension and viscosity of nanofluid were also discussed in details. The results show that the initial equilibrium contact angle (θ_e) of ND on a rough substrate is larger than that on a smooth substrate. When the interaction parameter between the substrate atoms and oxygen atoms increases, θ_e decreases. For hydrophilic rough substrates, the larger the NVF of hydrophilic nanoparticles in the ND, the greater the equilibrium contact angle of the ND, and the worse the wetting properties of the ND, which determines that the main driving force for the dynamic spreading process of the ND is the vapor-liquid surface tension and viscosity of the ND.

通过分子动力学（MD）方法研究了纳米流体液滴（ND）在具有栅栏图案的粗​​糙基底上的润湿性。嵌入式原子方法（EAM）势用于模拟纳米粒子原子，固体粗糙基质原子之间以及这两者之间的原子间相互作用。研究了基材的表面形态，纳米颗粒的表面润湿性和纳米颗粒体积分数（NVF）对ND润湿性的影响。还详细讨论了纳米流体的气液表面张力和粘度。结果表明，初始平衡接触角（θ _Ë粗糙基底上ND的）比平滑基板上大。当底物原子与氧原子之间的相互作用参数增加时，θ_e减小。对于亲水性粗糙基材，ND中亲水性纳米颗粒的NVF越大，ND的平衡接触角越大，ND的润湿性越差，这决定了NP动态扩散过程的主要驱动力ND是ND的气液表面张力和粘度。