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Phys. Rev. A 71, 041201(R) (2005) [4 pages]

Kinetic approach to the cluster liquid-gas transition

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F. Calvo
Laboratoire de Physique Quantique, IRSAMC, Université Paul Sabatier, 118 Route de Narbonne, F31062 Toulouse Cedex, France

Received 8 October 2004; published 12 April 2005

Unimolecular rate theories and equilibrium models of cluster dissociation are reconciled through a kinetic Monte Carlo approach. Assuming that fragmentation occurs sequentially, we calculate the time-dependent boiling temperature of slowly heated, free atomic clusters. Our approach is supported by molecular dynamics simulations of clusters made of sodium atoms or C60 molecules, as well as simplified rate equations.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.71.041201
DOI:
10.1103/PhysRevA.71.041201
PACS:
36.40.Qv, 05.10.Ln, 82.60.Qr