Ergodicity of the Nosé-Hoover method

H. Watanabe; Hiroto Kobayashi

doi:10.1080/08927020601075311

Ergodicity of the Nosé-Hoover method

H. Watanabe, Hiroto Kobayashi

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

Abstract

Ergodicity of the systems with Nos-Hoover thermostat are studied. The dynamics of the heatbath variables are investigated and they can be periodic when the system has quick oscillation. Their periodic behaviour causes the system to lose its ergodicity. The kinetic-moments method is also studied, and the heatbath variables in this method are found to be chaotic. The chaotic behaviour makes the whole system ergodic.

Original language	English
Pages (from-to)	77-81
Number of pages	5
Journal	Molecular Simulation
Volume	33
Issue number	1-2
DOIs	https://doi.org/10.1080/08927020601075311
Publication status	Published - 2007 Jan
Externally published	Yes

Keywords

Ergodicity
Heatbath
Kinetic-moments method
Nosé-Hoover thermostat

ASJC Scopus subject areas

Chemistry(all)
Information Systems
Modelling and Simulation
Chemical Engineering(all)
Materials Science(all)
Condensed Matter Physics

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10.1080/08927020601075311

Cite this

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title = "Ergodicity of the Nos{\'e}-Hoover method",

abstract = "Ergodicity of the systems with Nos-Hoover thermostat are studied. The dynamics of the heatbath variables are investigated and they can be periodic when the system has quick oscillation. Their periodic behaviour causes the system to lose its ergodicity. The kinetic-moments method is also studied, and the heatbath variables in this method are found to be chaotic. The chaotic behaviour makes the whole system ergodic.",

keywords = "Ergodicity, Heatbath, Kinetic-moments method, Nos{\'e}-Hoover thermostat",

author = "H. Watanabe and Hiroto Kobayashi",

note = "Funding Information: We thank Miyashita, Ito, and Todo groups for fruitful discussion. We also thank Sasa group for useful suggestions. This work was partially supported by the 21st COE program, “Frontiers of Computational Science”, Nagoya University.",

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doi = "10.1080/08927020601075311",

language = "English",

volume = "33",

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journal = "Molecular Simulation",

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T1 - Ergodicity of the Nosé-Hoover method

AU - Watanabe, H.

AU - Kobayashi, Hiroto

N1 - Funding Information: We thank Miyashita, Ito, and Todo groups for fruitful discussion. We also thank Sasa group for useful suggestions. This work was partially supported by the 21st COE program, “Frontiers of Computational Science”, Nagoya University.

PY - 2007/1

Y1 - 2007/1

N2 - Ergodicity of the systems with Nos-Hoover thermostat are studied. The dynamics of the heatbath variables are investigated and they can be periodic when the system has quick oscillation. Their periodic behaviour causes the system to lose its ergodicity. The kinetic-moments method is also studied, and the heatbath variables in this method are found to be chaotic. The chaotic behaviour makes the whole system ergodic.

AB - Ergodicity of the systems with Nos-Hoover thermostat are studied. The dynamics of the heatbath variables are investigated and they can be periodic when the system has quick oscillation. Their periodic behaviour causes the system to lose its ergodicity. The kinetic-moments method is also studied, and the heatbath variables in this method are found to be chaotic. The chaotic behaviour makes the whole system ergodic.

KW - Ergodicity

KW - Heatbath

KW - Kinetic-moments method

KW - Nosé-Hoover thermostat

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JO - Molecular Simulation

JF - Molecular Simulation

IS - 1-2

ER -

Ergodicity of the Nosé-Hoover method

Abstract

Keywords

ASJC Scopus subject areas

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