Structure and dynamical properties of Au-N, N=12-14 clusters: Molecular dynamics simulation
Yükleniyor...
Tarih
2005
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
World Scientific Publ Co Pte Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Using molecular dynamics and thermal quenching methods on the basis of Voter-Chen version of the embedded-atom method, we have studied the melting behavior of Au-N (N = 12, 13, 14) clusters. This behavior is described in terms of overall and atom resolved root-mean-square bond-length fluctuations, specific-heat, short- and long-time average coordination numbers of each atom and short-time average temperatures of the clusters. The isomer sampling probabilities are obtained from the thermal quenching of the molten clusters, and their energy-spectrum widths are investigated. Phase change of a cluster takes place with the collective and simultaneous motion of all the atoms.
Açıklama
ATIS, Murat/0000-0003-4429-6897
Anahtar Kelimeler
cluster, gold, Au, molecular dynamics, embedded-atom methods, melting
Kaynak
International Journal Of Modern Physics C
WoS Q Değeri
Q2
Scopus Q Değeri
Q2
Cilt
16
Sayı
1
Künye
closedAccess
