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Coupled continuum hydrodynamics and molecular dynamics method for multiscale simulation

Borg, Matthew Karl and Lockerby, Duncan A. and Reese, Jason (2011) Coupled continuum hydrodynamics and molecular dynamics method for multiscale simulation. In: 3rd Micro and Nano Flows Conference, MNF11, 2011-08-22 - 2011-08-24, Thessaloniki.

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    Abstract

    We present a new hybrid methodology for carrying out multiscale simulations of flow problems lying between continuum hydrodynamics and molecular dynamics, where macro/micro lengthscale separation exists only in one direction. Our multiscale method consists of an iterative technique that couples mass and momentum flux between macro and micro domains, and is tested on a converging/diverging nanochannel case containing flow of a simple Lennard-Jones liquid. Comparisons agree well with a full MD simulation of the same test case.

    Item type: Conference or Workshop Item (Paper)
    ID code: 36513
    Keywords: micro flows, molecular dynamics, multiscale, hybrid, continuum hydrodynamics, Mechanical engineering and machinery, Solid state physics. Nanoscience
    Subjects: Technology > Mechanical engineering and machinery
    Science > Physics > Solid state physics. Nanoscience
    Department: Faculty of Engineering > Mechanical and Aerospace Engineering
    Technology and Innovation Centre > Advanced Engineering and Manufacturing
    Related URLs:
    Depositing user: Pure Administrator
    Date Deposited: 20 Dec 2011 11:46
    Last modified: 13 Jun 2013 23:21
    URI: http://strathprints.strath.ac.uk/id/eprint/36513

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