Coupled continuum hydrodynamics and molecular dynamics method for multiscale simulation

Borg, MK; Lockerby, DA; Reese, JM; 3rd Micro and Nano Flows Conference (MNF2011)

Please use this identifier to cite or link to this item: http://bura.brunel.ac.uk/handle/2438/6751

Title:	Coupled continuum hydrodynamics and molecular dynamics method for multiscale simulation
Authors:	Borg, MK Lockerby, DA Reese, JM 3rd Micro and Nano Flows Conference (MNF2011)
Keywords:	Micro flows;Molecular dynamics;Multiscale;Hybrid;Continuum hydrodynamics
Issue Date:	2011
Publisher:	Brunel University
Citation:	3rd Micro and Nano Flows Conference, Thessaloniki, Greece, 22-24 August 2011
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.
Description:	This paper was presented at the 3rd Micro and Nano Flows Conference (MNF2011), which was held at the Makedonia Palace Hotel, Thessaloniki in Greece. The conference was organised by Brunel University and supported by the Italian Union of Thermofluiddynamics, Aristotle University of Thessaloniki, University of Thessaly, IPEM, the Process Intensification Network, the Institution of Mechanical Engineers, the Heat Transfer Society, HEXAG - the Heat Exchange Action Group, and the Energy Institute.
URI:	http://bura.brunel.ac.uk/handle/2438/6751
ISBN:	978-1-902316-98-7
Appears in Collections:	Brunel Institute for Bioengineering (BIB) The Brunel Collection

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