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Heterogeneous Atomistic-Continuum Representations for Dense Fluid Systems

Author

Listed:
  • Nicolas G. Hadjiconstantinou

    (Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA)

  • Anthony T. Patera

    (Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA)

Abstract

We present a formulation and numerical solution procedure for heterogeneous atomistic-continuum representations of fluid flows. The ingredients from atomistic and continuum perspectives are non-equilibrium molecular dynamics and spectral element, respectively; the matching is provided by a classical procedure, the Schwarz alternating method with overlapping subdomains. The technique is applied to microscale flow of a dense fluid (supercritical argon) in a complex two-dimensional channel.

Suggested Citation

  • Nicolas G. Hadjiconstantinou & Anthony T. Patera, 1997. "Heterogeneous Atomistic-Continuum Representations for Dense Fluid Systems," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 8(04), pages 967-976.
    • Handle: RePEc:wsi:ijmpcx:v:08:y:1997:i:04:n:s0129183197000837
    DOI: 10.1142/S0129183197000837
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    Cited by:

    1. Dimitris Drikakis & Michael Frank & Gavin Tabor, 2019. "Multiscale Computational Fluid Dynamics," Energies, MDPI, vol. 12(17), pages 1-17, August.

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