Ergodicity of the Nosé-Hoover method

Details Ergodicity of the Nosé-Hoover method Ergodicity of the Nosé-Hoover method

2006-07-28

arxiv.org/abs/cond-mat/0607745v1

Physics

Condensed Matter

Statistical Mechanics

6 pages, 6 figures, Symposium on Progress and Future Prospects in Molecular Dynamics Simulation -In Memory of Professor Shuich

Scientific paper

Ergodicity of the systems with Nos\'e-Hoover thermostat are studied. The dynamics of the heatbath variables are investigated and they can be periodic when the system has quick oscillation. The periodic behaviour of them 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.

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