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Continuous versus discrete for interacting carbon nanostructures

Hilder, Tamsyn; Hill, James M

Description

Intermolecular forces between two interacting nanostructures can be obtained by either summing over all the individual atomic interactions or by using a continuum or continuous approach, where the number of atoms situated at discrete locations is averaged over the surface of each molecule. This paper aims to undertake a limited comparison of the continuum approach, the discrete atom-atom formulation and a hybrid discrete-continuum formulation for a range of molecular interactions involving a...[Show more]

CollectionsANU Research Publications
Date published: 2007
Type: Journal article
URI: http://hdl.handle.net/1885/35929
Source: Journal of Physics A: Mathematical and Theoretical
DOI: 10.1088/1751-8113/40/14/008

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