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Molecular dynamics (MD) simulations focusing on the interactions between MoS2 films and water droplets are carried out in this article. First, the wettability of an ideal MoS2 film is investigated at room temperature, then the influences of ambient temperature and charge density of the MoS2 film on the wetting behaviors of water droplets on the film are also discussed. The simulation results indicate...
Evaporation and explosive boiling of ultra-thin liquid film are of great significant fundamental importance for both science and engineering applications. Wettability, as one of the important properties of solid surface. So it is necessary to understand the influence of wetting property between liquid film and solid surface on explosive boiling. The simulations are carried out for three systems with...
Molecular dynamics simulations based on reactive empirical bond-order potentials were conducted to investigate the bending and vibration of defect-free and defective monolayer MoS2. The effects of constrained boundary conditions and single sulfur point vacancies were concerned. Three types of boundary conditions were discussed in our work, including the simply supported boundary, the pinned-pinned...
In order to model the adhesive contact across different length scales, a multiscale approach is developed and used to study the adhesive contact behaviors between a rigid cylinder and an elastic face-centered cubic (FCC) substrate. The approach combines an atomistic treatment of the interfacial region with an elastic mechanics method description of the continuum region. The two regions are connected...
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