Reply to W. G. Hoover [arXiv:1204.0312v2]

Details Reply to W. G. Hoover [arXiv:1204.0312v2] Reply to W. G. Hoover [arXiv:1204.0312v2]

2012-04-19

arxiv.org/abs/1204.4412v1

Physics

Condensed Matter

Statistical Mechanics

2 pages, no figures

Scientific paper

In response to W. G. Hoover's comment [arXiv:1204.0312v2] on our work [arXiv:1203.5968], we show explicitly that the divergence of the velocity field associated with the Nos\'e-Hoover equations is nonzero, implying that those equations are not volume preserving, and hence, as often stated in the literature, are not Hamiltonian. We further elucidate that the trajectories {q(t)} generated by the Nos\'e-Hoover equations are generally not identical to those generated by Dettmann's Hamiltonian. Dettmann's Hamiltonian produces the same trajectories as the Nos\'e-Hoover equations only on a specific energy shell, but not on the neighboring ones. This fact explains why the Nos\'e-Hoover equations are not volume preserving. The Hamiltonian that we put forward with [arXiv:1203.5968] instead produces thermostated dynamics irrespective of the energy value. The main advantage of our Hamiltonian thermostat over previous ones is that it contains kinetic energy terms that are of standard form with coordinate-independent masses and consequently is readily matched in laboratory experiments.

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