EXPONENTIAL RELAXATION OF THE NOSE-HOOVER THERMOSTAT UNDER BROWNIAN HEATING

被引:0
作者
Herzog, David P. [1 ]
机构
[1] Iowa State Univ, Dept Math, Ames, IA 50011 USA
基金
美国国家科学基金会;
关键词
Langevin dynamics; Nose-Hoover equation; Lennard-Jones potential; geometric ergodicity; molecular dynamics simulation; random sampling; KINETIC-EQUATIONS; ERGODICITY; HYPOCOERCIVITY; APPROXIMATIONS;
D O I
暂无
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
We study a stochastic perturbation of the Nose-Hoover equation (called the Nose-Hoover equation under Brownian heating) and show that the dynamics converges at a geometric rate to the augmented Gibbs measure in a weighted total variation distance. The joint marginal distribution of the position and momentum of the particles in turn converges exponentially fast in a similar sense to the canonical Boltzmann-Gibbs distribution. The result applies to a general number of particles interacting through a wide class of potential functions, including the usual polynomial type as well as the singular Lennard-Jones variety.
引用
收藏
页码:2231 / 2260
页数:30
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