Abstract
We present constant pressure molecular dynamics simulation results of a micelle in an aqueous environment confined between two surfaces. The lipid-water interactions are described in terms of the MARTINI force field, and the constant pressure simulation approach as described in Winkler and Hentschke (J Chem Phys 99:5405–5417 (1993), [1]) is applied. The fluid–surface interactions are taken into account by a static external potential field. Our results provide a molecular picture of the surface-induced structure of the fluid, the fluid dynamics, and the corresponding non-linear properties of the micelle as a mechanical system. Hence, the performed analyses provide insight into lubrication at the nanoscale of the articulating system; the lubrication effect becomes nonlinear in terms of the basic defect creation-annihilation mechanism. According to the model of facilitated lubrication Gadomski et al. (Tribol Lett 30:83–90 (2008), [2]), micellar interactions contribute to a lowering the friction coefficient of articular cartilage (AC).
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This work has been sponsored by BS39/2014.
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Bełdowski, P., Winkler, R.G., Augé II, W.K., Hładyszowski, J., Gadomski, A. (2016). Micelle Confined in Aqueous Environment: Lubrication at the Nanoscale and Its Nonlinear Characteristics. In: Awrejcewicz, J. (eds) Dynamical Systems: Modelling. DSTA 2015. Springer Proceedings in Mathematics & Statistics, vol 181. Springer, Cham. https://doi.org/10.1007/978-3-319-42402-6_7
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DOI: https://doi.org/10.1007/978-3-319-42402-6_7
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