文章基本信息

标题：Ergodicity of the Martyna-Klein-Tuckerman Thermostat and the 2014 Ian Snook Prize
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作者：Wm.G. Hoover ; C.G. Hoover
期刊名称：Computational Methods in Science and Technology
印刷版ISSN：1505-0602
出版年度：2015
卷号：21
期号：1
页码：5-10
DOI：10.12921/cmst.2015.21.01.002
出版社：Poznan Supercomputing and Networking Center
摘要：Nosé and Hoover’s 1984 work showed that although Nosé and Nosé-Hoover dynamics were both consistent with Gibbs’ canonical distribution neither dynamics, when applied to the harmonic oscillator, provided Gibbs’ Gaussian distribution. Further investigations indicated that two independent thermostat variables are necessary, and often sufficient, to generate Gibbs’ canonical distribution for an oscillator. Three successful time-reversible and deterministic sets of two-thermostat motion equations were developed in the 1990s. We analyze one of them here. It was developed by Martyna, Klein, and Tuckerman in 1992. Its ergodicity was called into question by Patra and Bhattacharya in 2014. This question became the subject of the 2014 Snook Prize. Here we summarize the previous work on this problem and elucidate new details of the chaotic dynamics in the neighborhood of the two fixed points. We apply six separate tests for ergodicity and conclude that the MKT equations are fully compatible with all of them, in consonance with our recent work with Clint Sprott and Puneet Patra.
其他关键词：chaotic dynamics, time reversibility, ergodicity, fixed points