Heterogeneous Atomistic-Continuum Representations for Dense Fluid Systems

Nicolas G. Hadjiconstantinou () and Anthony T. Patera ()
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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

International Journal of Modern Physics C (IJMPC), 1997, vol. 08, issue 04, 967-976

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.

Keywords: Schwarz; Matching; Molecular Dynamics; Hybrid Continuum-Molecular Dynamics (search for similar items in EconPapers)
Date: 1997
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DOI: 10.1142/S0129183197000837

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