Multiscale Methods for Micro/Nano Flows and Materials

Authors: Kalweit, Marco; Drikakis, Dimitris

Source: Journal of Computational and Theoretical Nanoscience, Volume 5, Number 9, September 2008 , pp. 1923-1938(16)

Publisher: American Scientific Publishers

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Abstract:

A review of the state-of-the-art computational strategies for micro and nanofluid dynamics and materials in the framework of hybrid molecular dynamics and continuum fluid dynamics methods, is presented. Various modelling strategies utilising hybrid solution interfaces and geometrical coupling, are described. The fundamental relation between continuum and molecular formulations for flux and state coupling are given. The advantages and disadvantages of the coupling by states and coupling by fluxes strategies are discussed in connection with different interfacial scenarios.

Keywords: MULTISCALE MODELLING; MESOSCALE; MOLECULAR DYNAMICS; CONTINUUM METHODS; CFD; MICRO/NANOFLUID DYNAMICS; MATERIAL INTERFACES

Document Type: Review article

DOI: http://dx.doi.org/10.1166/jctn.2008.906

Publication date: 2008-09-01

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Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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