Hamiltonian Dynamics of Thermostated Systems: Two-Temperature Heat-Conducting phi-4 Chains

Details Hamiltonian Dynamics of Thermostated Systems: Two-Temperature Heat-Conducting phi-4 Chains Hamiltonian Dynamics of Thermostated Systems: Two-Temperature Heat-Conducting phi-4 Chains

2007-01-20

arxiv.org/abs/nlin/0701041v1

Nonlinear Sciences

Chaotic Dynamics

15 pages, 6 figures, in honor of Prof Harald Posch Birthday #65

Scientific paper

10.1063/1.2720839

We consider and compare four Hamiltonian formulations of thermostated mechanics, three of them kinetic, and the other one configurational. Though all four approaches ``work'' at equilibrium, their application to many-body nonequilibrium simulations can fail to provide a proper flow of heat. All the Hamiltonian formulations considered here are applied to the same prototypical two-temperature "phi-4" model of a heat-conducting chain. This model incorporates nearest-neighbor Hooke's-Law interactions plus a quartic tethering potential. Physically correct results, obtained with the isokinetic Gaussian and Nose-Hoover thermostats, are compared with two other Hamiltonian results. The latter results, based on constrained Hamiltonian thermostats, fail correctly to model the flow of heat.

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