Ergostatting and Thermostatting at a Fixed Point
Statistical Mechanics
2016-11-15 v2
Abstract
We propose a novel type of ergostats and thermostats for molecular dynamics simulations. A general class of active particle swarm models is considered, where any specific total energy (alternatively any specific temperature) can be provided at a fixed point of the evolution of the swarm. We identify the extended system feedback force of the Nos\'e - Hoover thermostat with the "internal energy" variable of active Brownian motion.
Keywords
Cite
@article{arxiv.1512.08459,
title = {Ergostatting and Thermostatting at a Fixed Point},
author = {Helmuth Huffel and Sasa Ilijic},
journal= {arXiv preprint arXiv:1512.08459},
year = {2016}
}
Comments
26 pages, 12 figures, v2: extended Introduction and Outlook, added references