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DOI http://dx.doi.org/10.1063/1.1305821
Title On the temperature, equipartition, degrees of freedom, and finite size effects: Application to aluminum clusters
Creator/Author Jellinek, J. [Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)] ; Goldberg, A. [Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)]
Publication Date2000 Aug 15
OSTI IdentifierOSTI ID: 20217183
Other Number(s)Journal ID: ISSN 0021-9606; JCPSA6; TRN: US00Z2230
Resource TypeJournal Article
Resource RelationJournal Name: Journal of Chemical Physics; Journal Volume: 113; Journal Issue: 7; Other Information: PBD: 15 Aug 2000
Research OrgArgonne National Laboratory (ANL), Argonne, IL
Subject74 ATOMIC AND MOLECULAR PHYSICS; ALUMINIUM; ATOMIC CLUSTERS; SIZE; PHASE TRANSFORMATIONS; SPECIFIC HEAT; THEORETICAL DATA
Description/AbstractThe relationship between statistical ensembles (especially microcanonical ensemble) and dynamics, the equipartition theorem, and the notion of dynamical temperature are reexamined with an emphasis on finite size effects. A (dynamical) equipartition ansatz (postulate) is formulated and the notion of dynamical degrees of freedom is introduced. The utility of the dynamical degrees of freedom as an analysis tool is discussed and illustrated in applications to model aluminum clusters. (c) 2000 American Institute of Physics.
Country of PublicationUnited States
LanguageEnglish
FormatMedium: X; Size: page(s) 2570-2582
System Entry Date2008 Jul 28

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