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Negative heat capacities in nanoclusters

F. Calvo, D. J. Wales, J.P.K. Doye, R.S. Berry, P. Labastie and M. Schmidt

EPL 82, 43003 (2008)

Abstract

Contrary to recent claims by Michaelian and Santamaria-Holek [Europhys. Lett. 79 (2007) 43001], we argue that microcanonical heat capacities can indeed be negative for finite systems. Converged simulations achieved for Na147 show a clear S-bend in the kinetic temperature, thus providing yet another example of this seemingly peculiar behaviour.


The full paper is available from epl online