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