Please use this identifier to cite or link to this item:
http://bura.brunel.ac.uk/handle/2438/5729
Title: | The directional contact distance of two ellipsoids: Coarse-grained potentials for anisotropic interactions |
Authors: | Paramonov, L Yaliraki, SN |
Keywords: | Molecular biophysics;Proteins |
Issue Date: | 2005 |
Publisher: | American Institute of Physics |
Citation: | Journal of Chemical Physics, 123(19): 194111, 2005 |
Abstract: | We obtain the distance of closest approach of the surfaces of two arbitrary ellipsoids valid at any orientation and separation measured along their intercenter vector. This directional distance is derived from the elliptic contact function. The geometric meaning behind this approach is clarified. An elliptic pair potential for modeling arbitrary mixtures of elliptic particles, whether hard or soft, is proposed based on this distance. Comparisons with Gay-Berne potentials are discussed. Analytic expressions for the forces and torques acting on the elliptic particles are given. |
Description: | Copyright @ 2005 American Institute of Physics. |
URI: | http://jcp.aip.org/resource/1/jcpsa6/v123/i19/p194111_s1 http://bura.brunel.ac.uk/handle/2438/5729 |
DOI: | http://dx.doi.org/10.1063/1.2102897 |
ISSN: | 0021-9606 |
Appears in Collections: | Advanced Manufacturing and Enterprise Engineering (AMEE) Brunel Design School Research Papers |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
Fulltext.pdf | 531.23 kB | Adobe PDF | View/Open |
Items in BURA are protected by copyright, with all rights reserved, unless otherwise indicated.