On the coupling of molecular dynamics to continuum computational fluid dynamics

Molecular dynamics (MD) is a discrete modelling technique that is used to capture the nanoscale motion of molecules. MD can be used to accurately simulate a range of physical problems where the continuum assumption breaks down. Examples include surface interaction, complex molecules, local phase cha...

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Bibliographic Details
Main Author: Smith, Edward
Other Authors: Dini, Daniele : Zaki, Tamer A.
Published: Imperial College London 2014
Subjects:
621
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.624094