English

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