물 분자막의 두께와 윤활특성의 상관관계에 대한 분자시뮬레이션 연구
Molecular Simulation Study on Influence of Water FilmThickness on Lubrication Characteristics
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This paper presents a numerical investigation of the influence of water molecule thickness on frictional behavior at the nanoscale using molecular dynamics simulation. Three different models, comprising water thin films of various thicknesses, were built, and indentation and sliding simulations were performed using the models. Various normal loads were applied by indenting the Si tip on the water film for the sliding simulation to evaluate the interplay between the water thin film thickness and the normal load. The results of the simulations showed that the friction force generally increased with respect to the normal load and thickness of the water thin film. The friction coefficient varied with respect to the normal load and the water film thickness. The friction coefficient was the smallest under a moderate normal force and increased with decreasing or increasing normal loads. As the water film became thicker, the contact area between the tip and water film became larger. Under well-lubricated conditions, the friction force was proportional to the contact area regardless of the water film thickness. As the normal force increased above a critical condition, the water molecules beneath the Si tip spread out; thus, the film could not provide lubrication. Consequently, the substrate was permanently deformed by direct contact with the Si tip, while the friction force and friction coefficient significantly increased. The results suggest that a thin water film can effectively reduce friction under relatively low normal load and contact pressure conditions. In addition, the contact area between the contacting surfaces dominates the friction force.
Abstract
This paper presents a numerical investigation of the influence of water molecule thickness on frictional behavior at the nanoscale using molecular dynamics simulation. Three different models, comprising water thin films of various thicknesses, were built, and indentation and sliding simulations were performed using the models. Various normal loads were applied by indenting the Si tip on the water film for the sliding simulation to evaluate the interplay between the water thin film thickness and the normal load. The results of the simulations showed that the friction force generally increased with respect to the normal load and thickness of the water thin film. The friction coefficient varied with respect to the normal load and the water film thickness. The friction coefficient was the smallest under a moderate normal force and increased with decreasing or increasing normal loads. As the water film became thicker, the contact area between the tip and water film became larger. Under well-lubricated conditions, the friction force was proportional to the contact area regardless of the water film thickness. As the normal force increased above a critical condition, the water molecules beneath the Si tip spread out; thus, the film could not provide lubrication. Consequently, the substrate was permanently deformed by direct contact with the Si tip, while the friction force and friction coefficient significantly increased. The results suggest that a thin water film can effectively reduce friction under relatively low normal load and contact pressure conditions. In addition, the contact area between the contacting surfaces dominates the friction force.
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