dorsal/arxiv
View SchemaKinetic approach to the cluster liquid-gas transition
| Authors | F. Calvo |
|---|---|
| Categories | |
| ArXiv ID | physics/0410049 |
| URL | https://arxiv.org/abs/physics/0410049 |
| DOI | 10.1103/PhysRevA.71.041201 |
Abstract
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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"abstract": "The liquid-gas transition in free atomic clusters is investigated\ntheoretically based on simple unimolecular rate theories and assuming\nsequential evaporations. A kinetic Monte Carlo scheme is used to compute the\ntime-dependent properties of clusters undergoing multiple dissociations, and\ntwo possible definitions of the boiling point are proposed, relying on the\ncluster or gas temperature. This numerical approach is supported by molecular\ndynamics simulations of clusters made of sodium atoms or C60 molecules, as well\nas simplified rate equation.",
"arxiv_id": "physics/0410049",
"authors": [
"F. Calvo"
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"categories": [
"physics.atm-clus",
"physics.chem-ph"
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"doi": "10.1103/PhysRevA.71.041201",
"title": "Kinetic approach to the cluster liquid-gas transition",
"url": "https://arxiv.org/abs/physics/0410049"
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