Continuous versus discrete for interacting carbon nanostructures
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]
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|Source:||Journal of Physics A: Mathematical and Theoretical|
|01_Hilder_Continuous_versus_discrete_for_2007.pdf||260.31 kB||Adobe PDF||Request a copy|
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