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Browsing Mühendislik Fakültesi by Author "120207"

Now showing items 1-7 of 7

An investigation of hydrogen bonded neutral B4Hn (n=1-11) and anionic B4H11(-1) clusters: Density functional study

Böyükata, Mustafa; Özdoğan, Cem; Güvenç, Ziya B. (Elsevier Science, 2007-03-28)

In this study, detailed analysis of the structural stability of hydrogen bonded four-atom boron clusters within the framework of density functional theory (DFT) is presented. Effects of the number of hydrogen atoms on the ...
Determination of chemisorption probabilities of hydrogen molecules on a nickel surface by Artificial Neural Network

Böyükata, Mustafa; Koçyiğit, Yücel; Güvenç, Büşra (Croatian Chemical Soc, 2008-06)

Dissociative chemisorption probabilities for H(2)(v, j) + Ni(100) collision systems have been estimated by using Artificial Neural Network (ANN). For training, previously determined probability values via molecular dynamics ...
Effects of hydrogen hosting on cage structures of boron clusters: density functional study of B(m)H(n) (m=5-10 and n <= m) complexes

Böyükata, Mustafa; Özdoğan, Cem; Güvenç, Ziya B. (IOP Publishing Ltd, 2008-02)

The structural stability of hydrogen bonded boron microclusters has been studied by using the density functional theory. Effects of the increasing number of hydrogen atoms on the cage geometries of B(5)-B(10) clusters, and ...
Effects of molecular rovibrational states and surface topologies for molecule-surface interaction: Chemisorption dynamics of D(2) collision with rigid Ni surfaces

Böyükata, Mustafa; Güvenç, Ziya B. (Springer, 2006-09)

A quasiclassical and micro-canonical molecular dynamic simulation techniques have been applied for D(2)(v,j) + Ni-surface collision systems. Dissociative adsorptions of a D(2) molecule on the rigid low index (100), (110) ...
Estimation of cross sections for molecule-cluster interactions by using artificial neural networks

Böyükata, Mustafa; Koçyiğit, Yücel; Güvenç, Büşra (Springer, 2006-09)

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 ...
Lyapunov exponent as an indicator of phase transition in melting Pd-13 clusters

Kurt, Erol; Böyükata, Mustafa; Güvenç, Büşra (Royal Swedish Acad Sciences, 2006-09)

In this study, the chaotic behaviour of Pd13 clusters is investigated in a wide total energy range. To identify interactions between atoms, the embedded atom potential is used in the computer simulation. Various analyses ...
MD study of energetics, melting and isomerization of aluminum microclusters

Böyükata, Mustafa; Güvenç, Ziya B. (Springer, 2006-09)

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 ...

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Browsing Mühendislik Fakültesi by Author "120207"

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