engleski

Ergostatting and thermostatting at a fixed point

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.

Active Brownian motion ; swarm ; thermostat ; ergostat

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