Please use this identifier to cite or link to this item:
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.
ISSN: 0021-9606
Appears in Collections:Advanced Manufacturing and Enterprise Engineering (AMEE)
Dept of Design Research Papers

Files in This Item:
File Description SizeFormat 
Fulltext.pdf531.23 kBAdobe PDFView/Open

Items in BURA are protected by copyright, with all rights reserved, unless otherwise indicated.