arXiv:1701.01234 Abstract | arXiv Analytics

arXiv:1701.01234 [cond-mat.stat-mech]Abstract References Reviews Resources

Temperature Control of Inhomogeneous Systems with Molecular Dynamics Simulations

Published 2017-01-05Version 1

We demonstrate that some kinds of thermostats fail to control temperature of inhomogeneous systems. When a system consists of several subsystems and interactions between them are sufficiently weak, then the subsystems have different temperatures while the total temperature seems to be controlled as intended. Typical examples are a binary alloy and a vapor-droplet coexisting systems. This problem is common among thermostats which control temperature in the similar way to Nose-Hoover method, such as the velocity scaling method, the Berendsen thermostat, and so forth. Multivariable thermostats or configurational temperature thermostats are no exceptions.

Comments: 4 pages, 4 figures

Categories: cond-mat.stat-mech

Keywords: molecular dynamics simulations, inhomogeneous systems, temperature control, control temperature, configurational temperature thermostats

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