Acta Mechanica Sinica

, Volume 22, Issue 6, pp 503–508 | Cite as

A constrained particle dynamics for continuum-particle hybrid method in micro- and nano-fluidics

  • Jia Cui
  • Guowei He
  • Dewei Qi
Research Paper


A hybrid method of continuum and particle dynamics is developed for micro- and nano-fluidics, where fluids are described by a molecular dynamics (MD) in one domain and by the Navier–Stokes (NS) equations in another domain. In order to ensure the continuity of momentum flux, the continuum and molecular dynamics in the overlap domain are coupled through a constrained particle dynamics. The constrained particle dynamics is constructed with a virtual damping force and a virtual added mass force. The sudden-start Couette flows with either non-slip or slip boundary condition are used to test the hybrid method. It is shown that the results obtained are quantitatively in agreement with the analytical solutions under the non-slip boundary conditions and the full MD simulations under the slip boundary conditions.


Hybrid method Molecular dynamic simulation Navier–Stokes equation Microfluidics 


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G. W. He would like to thank Prof. S. Y. Chen for his help on the work.


  1. Squires T.M., Quake S.R. (2005) Microfluidics: fluid physics at the nanoliter scale. Rev. Mod. Phys. 77, 977–1026CrossRefGoogle Scholar
  2. Gad-el-Hak M. (2004) Transport phenomena in microdevice. ZAMM 84, 494–498CrossRefzbMATHGoogle Scholar
  3. Thompson P.A., Troian S.M. (1997) A general boundary condition for liquid flow at solid surface. Nature 389, 360–362CrossRefGoogle Scholar
  4. Pit R., Hervet H., Leger L. (2000) Direct experimental evidence of slip in hexadecane. Phys. Rev. Lett. 85, 980–983CrossRefGoogle Scholar
  5. Guo W.L., Zhu C.Z., Yu T.X., Woo C.H., Zhang B., Dai Y.T. Formation of sp(3) bonding in nanoindented carbon nanotubes and graphite. Phys. Rev. Lett. 93, Art. No. 245502–5 (2004)Google Scholar
  6. Koumoutsakos P. (2005) Multiscale flow simulation using particle. Ann. Rev. Fluid. Mech. 37, 457–487MathSciNetCrossRefzbMATHGoogle Scholar
  7. O’Connell S.T., Thompson P.A. (1995) Molecular - dynamics continuum hybrid computations: a tool for studying complex fluid flows. Phys. Rev. E. 52, 5792–5795CrossRefGoogle Scholar
  8. Hadjiconstaniou N.G., Patera A.T. (2004) Heterogeneous and atomistic–continuum representations for dense fluid systems. Inter. J. Modern. Phys. 8, 967–976Google Scholar
  9. Flekkoy E.G., Wagner G., Feder G. (2000) Hybrid model for combined particle and continuum dynamics. Europhys. Lett. 52, 271–276CrossRefGoogle Scholar
  10. Nie X.B., Chen S.Y., Robbins M.O. (2004) A continuum and molecular dynamics hybrid method for micro- and nano-fluid flow. J. Fluid. Mech. 500, 55–64CrossRefzbMATHGoogle Scholar
  11. Frenkel D., Smit B. (1996) Understanding Molecular Simulation-from Algorithms to Applications. Academic, New YorkzbMATHGoogle Scholar
  12. Liu D.Y. (1993) Fluid Dynamics of Two-phase System. Higher Education Press, BeijingGoogle Scholar
  13. Tannehill J., Anderson D.A., Pletcher R.H. (1997) Computational Fluid Mechanics and Heat Transfer, 2nd edn. Taylor & Francis, New YorkzbMATHGoogle Scholar

Copyright information

© Springer-Verlag 2006

Authors and Affiliations

  1. 1.LNM, Institute of MechanicsChinese Academy of SciencesBeijingChina
  2. 2.Department of Paper and Chemical EngineeringWestern Michigan UniversityKalamazooUSA

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