Discontinuous Molecular Dynamics for Semi-Flexible and Rigid Bodies

Simple item page
dc.creatorde la Pena, Lisandro Hernandez
dc.creatorvan Zon, Ramses
dc.creatorSchofield, Jeremy
dc.creatorOpps, Sheldon B.
dc.date2006-07-20
dc.date.accessioned2026-07-07T07:47:25Z
dc.date.available2026-07-07T07:47:25Z
dc.descriptionA general framework for performing event-driven simulations of systems with semi-flexible or rigid bodies interacting under impulsive torques and forces is outlined. Two different approaches are presented. In the first, the dynamics and interaction rules are derived from Lagrangian mechanics in the presence of constraints. This approach is most suitable when the body is composed of relatively few point masses or is semi-flexible. In the second method, the equations of rigid bodies are used to derive explicit analytical expressions for the free evolution of arbitrary rigid molecules and to construct a simple scheme for computing interaction rules. Efficient algorithms for the search for the times of interaction events are designed in this context, and the handling of missed interaction events is discussed.
dc.description16 pages, double column revtex
dc.identifierhttps://arxiv.org/abs/cond-mat/0607527
dc.identifierhttp://arxiv.org/abs/cond-mat/0607527
dc.identifierJ. Chem. Phys. 126, 074105 (2007)
dc.identifierdoi:10.1063/1.2434957
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/124160
dc.subjectStatistical Mechanics
dc.subjectSoft Condensed Matter
dc.titleDiscontinuous Molecular Dynamics for Semi-Flexible and Rigid Bodies
dc.typetext

Files

Collections

arXiv