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Computation of the hydrodynamic boundary parameters of a confined fluid via non-equilibrium molecular dynamics

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  • Mundy, Christopher J.
  • Balasubramanian, Sundaram
  • Klein, Michael L.

Abstract

Hydrodynamic boundary parameters (HBP) are computed for a model soft-sphere fluid confined between two corrugated surfaces. The connection between the fluctuation formulae, derived earlier by Bocquet and Barrat, and linear response theory is reviewed. Applications to isomers of hexane on graphite are discussed.

Suggested Citation

  • Mundy, Christopher J. & Balasubramanian, Sundaram & Klein, Michael L., 1997. "Computation of the hydrodynamic boundary parameters of a confined fluid via non-equilibrium molecular dynamics," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 240(1), pages 305-314.
    • Handle: RePEc:eee:phsmap:v:240:y:1997:i:1:p:305-314
    DOI: 10.1016/S0378-4371(97)00154-4
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    1. Barratt, A. & Reznik, R. & Irwig, L. & Cuff, A. & Simpson, J.M. & Oldenburg, B. & Horvath, J. & Sullivan, D., 1994. "Work-site cholesterol screening and dietary intervention: The Staff Healthy Heart Project," American Journal of Public Health, American Public Health Association, vol. 84(5), pages 779-782.
    2. Grest, Gary S. & Kremer, Kurt & Duering, Edgardo R., 1993. "Kinetics and relaxation of end crosslinked polymer networks," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 194(1), pages 330-337.
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