Ergodicity of Thermostat Family of Nos\'e--Hoover type

Gibbs' thermodynamic entropy is given by the logarithm of the phase volume, which itself responds to heat transfer to and from thermal reservoirs. We compare the thermodynamic dissipation described by phase-volume loss with heat-transfer entropy production. Their equivalence is documented for computer simulations of the response of an ergodic harmonic oscillator to thermostated temperature gradients. In the simulations one or two thermostat variables control the kinetic energ...

We present numerical evidence supporting the validity of the Gallavotti-Cohen Fluctuation Theorem applied to the driven Lorentz gas with Nos\'e-Hoover thermostating. It is moreover argued that the asymptotic form of the fluctuation formula is independent of the amplitude of the driving force, in the limit where it is small.

A fundamental challenge is to understand nonequilibrium statistical mechanics starting from microscopic chaos in the equations of motion of a many-particle system. In this review we summarize recent theoretical advances along these lines. Particularly, we are concerned with nonequilibrium situations created by external electric fields and by temperature or velocity gradients. These constraints pump energy into a system, hence there must be some thermal reservoir that prevents...

Let H(q,p) = p^2/2 + V(q) be a 1-degree of freedom mechanical Hamiltonian with a C^n periodic potential V where n>4. The Nos\'e-thermostated system associated to H is shown to have invariant tori near the infinite temperature limit. This is shown to be true for all thermostats similar to Nos\'e's. These results complement the result of Legoll, Luskin and Moeckel who proved the existence of such tori near the decoupling limit.

Abstract: Models for studying systems in stationary states but out of equilibrium have often empirical nature and very often break the fundamental time reversal symmetry. Here a formal interpretation will be discussed of the widespread idea that, in any event, the particular friction model choice should not matter physically. The proposal is, quite generally, that for the same physical system a time reversible model should be possible. Examples about the Navier-Stokes equatio...

Aspects of the Nos\'e and Nos\'e-Hoover dynamics developed in 1983-1984 along with Dettmann's closely related dynamics of 1996, are considered. We emphasize paradoxes associated with Liouville's Theorem. Our account is pedagogical, focused on the harmonic oscillator for simplicity, though exactly the same ideas can be, and have been, applied to manybody systems. Nos\'e, Nos\'e-Hoover, and Dettmann flows were all developed in order to access Gibbs' canonical ensemble directly ...

We show that systems driven by an external force and described by Nose-Hoover dynamics allow for a consistent nonequilibrium thermodynamics description when the thermostatted variable is initially assumed in a state of canonical equilibrium. By treating the "real" variables as the system and the thermostatted variable as the reservoir, we establish the first and second law of thermodynamics. As for Hamiltonian systems, the entropy production can be expressed as a relative ent...

We apply the Nose-Hoover thermostat and three variations of it, which control different combinations of velocity moments, to the periodic Lorentz gas. Switching on an external electric field leads to nonequilibrium steady states for the four models with a constant average kinetic energy of the moving particle. We study the probability density, the conductivity and the attractor in nonequilibrium and compare the results to the Gaussian thermostated Lorentz gas and to the Loren...

We propose a generalization of classical statistical mechanics which describes the behavior of dissipative systems placed in contact with a heat bath. In contrast to conventional statistical mechanics, which assigns probabilities to the states of the system, the generalized theory assigns probabilities to the trajectories of the system. The conditional probability of pairs of states at two different times is given by a path integral. We present two simple analytically-tractab...

A thermostat of the Nose-Hoover type, based on relative velocities and a local definition of the temperature, is presented. The thermostat is momentum-conserving and Galilean-invariant, which should make it suitable for use in Dissipative Particle Dynamics simulations, as well as nonequilibrium molecular dynamics simulations.