Physics – Condensed Matter – Statistical Mechanics
Scientific paper
2006-08-23
Phys. Rev. E 74, 041805 (2006)
Physics
Condensed Matter
Statistical Mechanics
11 pages, 8 figures, accepted for publication in Physical Review E
Scientific paper
10.1103/PhysRevE.74.041805
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.
Clementi Cecilia
Mossa Alessandro
Pettini Marco
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