Scopus İndeksli Yayınlar Koleksiyonu
Permanent URI for this collectionhttps://hdl.handle.net/20.500.12416/8651
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Conference Object Citation - WoS: 12Citation - Scopus: 11Md Study of Energetics, Melting and Isomerization of Aluminum Microclusters(Springer, 2006) Boyukata, Mustafa; Guvenc, Ziya B.Voter and Chen version of an Embedded Atom Model has been applied to study the locally stable structures, energies, melting, isomerization and growth patterns of small aluminum clusters, Al(n), in the size range of n = 2 - 13. Using molecular dynamics and thermal quenching simulations, the global minima and the other locally stable structures have been distinguished from those stationary structures that correspond to saddle points of the potential energy surface. A large number (10000) of independent initial configurations generated at high temperatures has been used to obtain the stable isomers, and the probabilities of sampling different basins of attractions, for each size of the clusters. Their energy spectra have been determined and melting, and isomerization dynamics are investigated.Conference Object Citation - WoS: 2Citation - Scopus: 4Estimation of Cross Sections for Molecule-Cluster Interactions by Using Artificial Neural Networks(Springer, 2006) Boyukata, Mustafa; Kocyigit, Yucel; Guvenc, Ziya B.The cross sections Of D-2 (v,j) + Ni-n (T), n = 19 and 20, collision systems have been estimated by using Artificial Neural Networks (ANNs). For training, previously determined cross section values via molecular dynamics simulation have been used. The performance of the ANNs for predicting any quantities in molecule-cluster interaction has been investigated. Effects of the temperature of the clusters and the rovibrational states of the molecule are analyzed. The results are in good agreement with previous studies.