### Abstract

We recently proposed a possible variational principle for ergodic, nonequilibrium steady states (NESS) far from equilibrium (1991, Phys. Rev. Lett., 67, 2597). We provided computer simulation results in support of the hypothesis that in NESS with fixed internal energy, volume, number of particles and applied external field, the decrease of the volume of phase space which is accessible to the system is a local minimum with respect to variations in endogenous variables. This hypothesis is a microscopic and nonlinear generalization of the principle of minimum entropy production which is valid only for NESS close to equilibrium where both the local thermodynamic equilibrium and the Onsager reciprocal relations are valid. In the present paper, we point out that for a wide class of possible thermostatting mechanisms, the Gaussian thermostat minimizes the phase space compression. With respect to our variational principle, the Gaussian thermostat is therefore the optimal thermostat. Further, for this class of possible thermostats, the Gaussian thermostat is the only one which satisfies the recently discovered conjugate pairing rule.

Original language | English |
---|---|

Pages (from-to) | 1209-1216 |

Number of pages | 8 |

Journal | Molecular Physics |

Volume | 77 |

Issue number | 6 |

DOIs | |

Publication status | Published - Dec 20 1992 |

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### ASJC Scopus subject areas

- Biophysics
- Molecular Biology
- Physical and Theoretical Chemistry
- Condensed Matter Physics

### Cite this

*Molecular Physics*,

*77*(6), 1209-1216. https://doi.org/10.1080/00268979200103081

**The gaussian thermostat, phase space compression and the conjugate pairing rule.** / Evans, Denis J.; Baranyai, A.

Research output: Contribution to journal › Article

*Molecular Physics*, vol. 77, no. 6, pp. 1209-1216. https://doi.org/10.1080/00268979200103081

}

TY - JOUR

T1 - The gaussian thermostat, phase space compression and the conjugate pairing rule

AU - Evans, Denis J.

AU - Baranyai, A.

PY - 1992/12/20

Y1 - 1992/12/20

N2 - We recently proposed a possible variational principle for ergodic, nonequilibrium steady states (NESS) far from equilibrium (1991, Phys. Rev. Lett., 67, 2597). We provided computer simulation results in support of the hypothesis that in NESS with fixed internal energy, volume, number of particles and applied external field, the decrease of the volume of phase space which is accessible to the system is a local minimum with respect to variations in endogenous variables. This hypothesis is a microscopic and nonlinear generalization of the principle of minimum entropy production which is valid only for NESS close to equilibrium where both the local thermodynamic equilibrium and the Onsager reciprocal relations are valid. In the present paper, we point out that for a wide class of possible thermostatting mechanisms, the Gaussian thermostat minimizes the phase space compression. With respect to our variational principle, the Gaussian thermostat is therefore the optimal thermostat. Further, for this class of possible thermostats, the Gaussian thermostat is the only one which satisfies the recently discovered conjugate pairing rule.

AB - We recently proposed a possible variational principle for ergodic, nonequilibrium steady states (NESS) far from equilibrium (1991, Phys. Rev. Lett., 67, 2597). We provided computer simulation results in support of the hypothesis that in NESS with fixed internal energy, volume, number of particles and applied external field, the decrease of the volume of phase space which is accessible to the system is a local minimum with respect to variations in endogenous variables. This hypothesis is a microscopic and nonlinear generalization of the principle of minimum entropy production which is valid only for NESS close to equilibrium where both the local thermodynamic equilibrium and the Onsager reciprocal relations are valid. In the present paper, we point out that for a wide class of possible thermostatting mechanisms, the Gaussian thermostat minimizes the phase space compression. With respect to our variational principle, the Gaussian thermostat is therefore the optimal thermostat. Further, for this class of possible thermostats, the Gaussian thermostat is the only one which satisfies the recently discovered conjugate pairing rule.

UR - http://www.scopus.com/inward/record.url?scp=0039215406&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0039215406&partnerID=8YFLogxK

U2 - 10.1080/00268979200103081

DO - 10.1080/00268979200103081

M3 - Article

AN - SCOPUS:0039215406

VL - 77

SP - 1209

EP - 1216

JO - Molecular Physics

JF - Molecular Physics

SN - 0026-8976

IS - 6

ER -