Ergostatting and Thermostatting at a Fixed Point

Helmuth Huffel; Sasa Ilijic

doi:10.1103/physreve.94.052115

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arXiv · 1512.08459

Ergostatting and Thermostatting at a Fixed Point

Helmuth Huffel·Sasa Ilijic

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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 Nosé - Hoover thermostat with the "internal energy" variable of active Brownian motion.

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Helmuth Huffel, Sasa Ilijic. 2016-08-23. Ergostatting and Thermostatting at a Fixed Point. https://doi.org/10.1103/physreve.94.052115

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