Published April 2005 | Version v1
Journal article Metadata-only

Kinetic approach to the cluster liquid-gas transition

Creators

  • 1. Laboratoire de Physique Quantique, IRSAMC, Universite Paul Sabatier, 118 Route de Narbonne, F31062 Toulouse Cedex (France)

Description

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

Additional details

Identifiers

DOI
10.1103/PhysRevA.71.041201;
arXiv
arXiv:physics/0410049v1;

Publishing Information

Journal Title
Physical Review. A
Journal Volume
71
Journal Issue
4
Journal Page Range
p. 041201-041201.4
ISSN
1050-2947
CODEN
PLRAAN

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
36092825
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS; S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Descriptors DEI
ATOMIC CLUSTERS; ATOMS; COMPUTERIZED SIMULATION; DISSOCIATION; EQUILIBRIUM; FULLERENES; LIQUIDS; MOLECULAR DYNAMICS METHOD; MOLECULES; MONTE CARLO METHOD; PHASE TRANSFORMATIONS; SODIUM; TIME DEPENDENCE
Descriptors DEC
ALKALI METALS; CALCULATION METHODS; CARBON; ELEMENTS; FLUIDS; METALS; NONMETALS; SIMULATION

Optional Information

Notes
(c) 2005 The American Physical Society