Hamiltonian dynamics of homopolymer chain models

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dc.creatorMossa, Alessandro
dc.creatorPettini, Marco
dc.creatorClementi, Cecilia
dc.date2006-08-23
dc.date.accessioned2026-07-07T07:19:47Z
dc.date.available2026-07-07T07:19:47Z
dc.descriptionThe Hamiltonian dynamics of chains of nonlinearly coupled particles is numerically investigated in two and three dimensions. Simple, off-lattice homopolymer models are used to represent the interparticle potentials. Time averages of observables numerically computed along dynamical trajectories are found to reproduce results given by the statistical mechanics of homopolymer models. The dynamical treatment, however, indicates a nontrivial transition between regimes of slow and fast phase space mixing. Such a transition is inaccessible to a statistical mechanical treatment and reflects a bimodality in the relaxation of time averages to corresponding ensemble averages. It is also found that a change in the energy dependence of the largest Lyapunov exponent indicates the theta-transition between filamentary and globular polymer configurations, clearly detecting the transition even for a finite number of particles.
dc.description11 pages, 8 figures, accepted for publication in Physical Review E
dc.identifierhttps://arxiv.org/abs/cond-mat/0608516
dc.identifierhttp://arxiv.org/abs/cond-mat/0608516
dc.identifierPhys. Rev. E 74, 041805 (2006)
dc.identifierdoi:10.1103/PhysRevE.74.041805
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/114756
dc.subjectStatistical Mechanics
dc.titleHamiltonian dynamics of homopolymer chain models
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