Thermostat algorithm for generating target ensembles

被引：38

作者：

Bravetti, A. ^{[1
]}

Tapias, D. ^{[2
]}

机构：

[1] Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, AP 70543, Mexico City 04510, DF, Mexico

[2] Univ Nacl Autonoma Mexico, Fac Ciencias, AP 70543, Mexico City 04510, DF, Mexico

来源：

PHYSICAL REVIEW E | 2016年 / 93卷 / 02期

关键词：

PHASE-SPACE; HAMILTONIAN-SYSTEMS; MOLECULAR-DYNAMICS; TAYLOR-SERIES;

D O I：

10.1103/PhysRevE.93.022139

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

We present a deterministic algorithm called contact density dynamics that generates any prescribed target distribution in the physical phase space. Akin to the famous model of Nose and Hoover, our algorithm is based on a non-Hamiltonian system in an extended phase space. However, the equations of motion in our case follow from contact geometry and we show that in general they have a similar form to those of the so-called density dynamics algorithm. As a prototypical example, we apply our algorithm to produce a Gibbs canonical distribution for a one-dimensional harmonic oscillator.

引用

页数：6

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