Kinetic approach to the cluster liquid-gas transition

Details Kinetic approach to the cluster liquid-gas transition Kinetic approach to the cluster liquid-gas transition

2004-10-08

arxiv.org/abs/physics/0410049v1

Physics

Atomic and Molecular Clusters

Scientific paper

10.1103/PhysRevA.71.041201

The liquid-gas transition in free atomic clusters is investigated theoretically based on simple unimolecular rate theories and assuming sequential evaporations. A kinetic Monte Carlo scheme is used to compute the time-dependent properties of clusters undergoing multiple dissociations, and two possible definitions of the boiling point are proposed, relying on the cluster or gas temperature. This numerical approach is supported by molecular dynamics simulations of clusters made of sodium atoms or C60 molecules, as well as simplified rate equation.

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