Hamiltonian dynamics of homopolymer chain models
arXiv:cond-mat/0608516 · doi:10.1103/PhysRevE.74.041805
Abstract
The 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.
arXiv comment11 pages, 8 figures, accepted for publication in Physical Review E
References in corpus (6)
- Geometric approach to Hamiltonian dynamics and statistical mechanics
- Molecular Dynamics Simulations
- Riemannian theory of Hamiltonian chaos and Lyapunov exponents
- Geometry of dynamics, Lyapunov exponents and phase transitions
- Weak and strong chaos in FPU models and beyond
- Hamiltonian dynamics and geometry of phase transitions in classical XY models