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Bagrets, A. ; Werner, R. ; Evers, Ferdinand ; Schneider, G. ; Schooss, D. ; Wölfle, P.

Lowering of surface melting temperature in atomic clusters with a nearly closed shell structure

Bagrets, A., Werner, R., Evers, Ferdinand , Schneider, G., Schooss, D. und Wölfle, P. (2010) Lowering of surface melting temperature in atomic clusters with a nearly closed shell structure. Physical Review B 81 (7), 075435.

Veröffentlichungsdatum dieses Volltextes: 02 Jul 2021 11:49
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.46201


Zusammenfassung

We investigate the interplay of particle number, N, and structural properties of selected clusters with N=12 up to N=562 by employing Gupta potentials parameterized for Aluminum and extensive Monte Carlo simulations. Our analysis focuses on closed shell structures with extra atoms. The latter can put the cluster under a significant stress and we argue that typically such a strained system ...

We investigate the interplay of particle number, N, and structural properties of selected clusters with N=12 up to N=562 by employing Gupta potentials parameterized for Aluminum and extensive Monte Carlo simulations. Our analysis focuses on closed shell structures with extra atoms. The latter can put the cluster under a significant stress and we argue that typically such a strained system exhibits a reduced energy barrier for (surface) diffusion of cluster atoms. Consequently, also its surface melting temperature, TS, is reduced, so that TS separates from and actually falls well below the bulk value. The proposed mechanism may be responsible for the suppression of the surface melting temperature observed in recent experiments.



Beteiligte Einrichtungen


Details

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftPhysical Review B
Verlag:American Physical Society (APS)
Band:81
Nummer des Zeitschriftenheftes oder des Kapitels:7
Seitenbereich:075435
Datum24 Februar 2010
InstitutionenPhysik > Institut für Theoretische Physik > Lehrstuhl Ferdinand Evers
Identifikationsnummer
WertTyp
10.1103/PhysRevB.81.075435DOI
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 530 Physik
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenNein
URN der UB Regensburgurn:nbn:de:bvb:355-epub-462018
Dokumenten-ID46201

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