Ergostatting and thermostatting at a fixed point
- Autor(en)
- Helmuth Hüffel, Sasa Ilijic
- Abstrakt
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(en)
- Teilchenphysik
- Externe Organisation(en)
- University of Zagreb
- Journal
- Physical Review E
- Band
- 94
- Anzahl der Seiten
- 10
- ISSN
- 1539-3755
- DOI
- https://doi.org/10.1103/PhysRevE.94.052115
- Publikationsdatum
- 11-2016
- Peer-reviewed
- Ja
- ÖFOS 2012
- 103036 Theoretische Physik, 103029 Statistische Physik
- Schlagwörter
- ASJC Scopus Sachgebiete
- Condensed Matter Physics, Statistical and Nonlinear Physics, Statistics and Probability
- Link zum Portal
- https://ucrisportal.univie.ac.at/de/publications/fd7ae0eb-41c3-4d2e-a3af-7761bb835fe0