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THE UNIQUE PROPERTIES OF THE solid-like CONFINED LIQUID FILMS:A LARGE SCALE MOLECULAR DYNAMICS SIMULATION APPROACH

Acta Mechanica solida Sinica 2011年第2期24卷 101-116页

作者： Fengchao Wang Yapu Zhao State Key Laboratory of Nonlinear Mechanics Institute of Mechanics Chinese Academy of Sciences Beijing 100190 China

The properties of the confined liquid are dramatically different from those of the bulk state, which were reviewed in the present work. We performed large-scale molecular dynamics simulations and full-atom nonequilibrium molecular dynamics simulations to investigate the shear response of the confined simple liquid as well as the n-hexadecane ultrathin films. The shear viscosity of the confined simple liquid increases with the decrease of the film thickness. Apart from the well-known ordered structure, the confined n-hexaxiecane exhibited a transition from 7 layers to 6 in our simulations while undergoing an increasing shear velocity. Various slip regimes of the confined n-hexadecane were obtained. Viscosity coefficients of individual layers were examined and the results revealed that the local viscosity＇coefficient varies with the distance from the wall. The individual n-hexadecane layers showed the shear-thinning behaviors which can be correlated with the occurrence of the slip. This study aimed at elucidating the detailed shear response of the confined liquid and may be used in the design and application of microand nano-devices.

关键词： confined liquid solid-like shear-thinning slip large scale molecular dynamics simulation

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