The unique properties of the solid-like confined liquid films: A large scale molecular dynamics simulation approach
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-hexadecane 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 micro- and nano-devices.
Key wordsconfined liquid solid-like shear-thinning slip large scale molecular dynamics simulation
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- White, F.M., Fluid Mechanics. New York: McGraw-Hill, 1994.Google Scholar
- Qin, X.C., Yuan, Q.Z., Zhao, Y.P., Xie, S.B. and Liu, Z.F., Measurement of the rate of water translocation through carbon nanotubes. Nano Letters, 2011, dx.doi.org/10.1021/nl200843g.Google Scholar
- Israelachvili, J.N., Intermolecular and Surface Forces. San Diego: Academic Press, 1992.Google Scholar
- Dauberosguthorpe, P., Roberts, V.A., Osguthorpe, D.J., Wolff, J., Genest, M. and Hagler, A.T., Structure and energetics of ligand binding to proteins: escherichia coli dihydrofolate reductase-trimethoprim, a drug-receptor system. Proteins-Structure Function and Genetics, 1988, 4: 31–47.CrossRefGoogle Scholar
- Brochard-Wyart, F., Raphael, E. and Vovelle, L., Démouillage en régime inertiel: apparitions d’ondes capillaries. Comptes Rendus de l’Académie des Sciences, 1995, 321: 367–370.Google Scholar
- Doi, M. and Edwards, S.F., The Theory of Polymer Dynamics. Oxford: Calderon Press, 1986.Google Scholar
- Wohlfarth, C. and Wohlfahrt, B., Pure Organic Liquids. New York: Springer, 2002.Google Scholar