Bulgac-Kusnezov-Nosé-Hoover thermostats

Abstract

In this paper we formulate Bulgac-Kusnezov constant temperature dynamics in phase space by means of non-Hamiltonian brackets. Two generalized versions of the dynamics are similarly defined: one where the Bulgac-Kusnezov demons are globally controlled by means of a single additional Nosé variable, and another where each demon is coupled to an independent Nosé-Hoover thermostat. Numerically stable and efficient measure-preserving time-reversible algorithms are derived in a systematic way for each case. The chaotic properties of the different phase space flows are numerically illustrated through the paradigmatic example of the one-dimensional harmonic oscillator. It is found that, while the simple Bulgac-Kusnezov thermostat is apparently not ergodic, both of the Nosé-Hoover controlled dynamics sample the canonical distribution correctly.

References in corpus (1)

• Hamiltonian Dynamics of Thermostated Systems: Two-Temperature Heat-Conducting phi-4 Chains

Cited by in corpus (3)

• Phase space structure and dynamics for the Hamiltonian isokinetic thermostat
• Computer Simulation of Quantum Dynamics in a Classical Spin Environment
• Singly-Thermostated Ergodicity in Gibbs' Canonical Ensemble and the 2016 Ian Snook Prize Award