Nanoscale van der Waals interactions
| Autor: | Milton W. Cole, Hye-Young Kim, Amand Lucas, Darrell Velegol |
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| Rok vydání: | 2009 |
| Předmět: |
Continuum (topology)
Chemistry General Chemical Engineering Hamaker constant Physical system Van der Waals surface Van der Waals strain General Chemistry Condensed Matter Physics symbols.namesake Classical mechanics Modeling and Simulation Atom (measure theory) Physics::Atomic and Molecular Clusters symbols General Materials Science Van der Waals radius van der Waals force Information Systems |
| Zdroj: | Molecular Simulation. 35:849-866 |
| ISSN: | 1029-0435 0892-7022 |
| DOI: | 10.1080/08927020902929794 |
| Popis: | Despite the fact that van der Waals (VDW) interactions are often considered to be weak, they dominate the behaviour of all neutral physical systems at separations of order 0.5 nm or larger. For simple geometries – geometric half spaces, spheres, cylinders, or points – VDW interactions are often calculated using a form of Lifshitz theory, which is based on continuum descriptions. But for nanoscale systems, it is often the case that the geometries involve corners, sharp edges, discrete atom placement or small sizes, so that bulk continuum models do not apply. In these cases it is common to compute the VDW interactions using two-body calculations, for instance from Lennard-Jones parameters, the Derjaguin or Hamaker approximation, or pairwise additivity. In this review, we show that none of these estimates predicts VDW interactions accurately; rather, one must use a ‘nanoscale Lifshitz theory’, which we call the ‘coupled dipole method’ (CDM). The CDM accounts for all many-body interactions in the nonretarded ... |
| Databáze: | OpenAIRE |
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