Ergostatting and thermostatting at a fixed point
- Author(s)
- Helmuth Hüffel, Sasa Ilijic
- Abstract
We propose an innovative 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 Nosé-Hoover thermostat with the "internal energy" variable of active Brownian motion.
- Organisation(s)
- Particle Physics
- External organisation(s)
- University of Zagreb
- Journal
- Physical Review E
- Volume
- 94
- No. of pages
- 10
- ISSN
- 1539-3755
- DOI
- https://doi.org/10.1103/PhysRevE.94.052115
- Publication date
- 11-2016
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103036 Theoretical physics, 103029 Statistical physics
- Keywords
- ASJC Scopus subject areas
- Condensed Matter Physics, Statistical and Nonlinear Physics, Statistics and Probability
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/ergostatting-and-thermostatting-at-a-fixed-point(fd7ae0eb-41c3-4d2e-a3af-7761bb835fe0).html