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Toplam kayıt 571, listelenen: 1-20

Sonraki Sayfa

Structural forms and energies of Nin, n = 12-14, clusters

Güvenç, Ziya B.; Güvenç, Dilek; Jellinek, Julius (1999)

Equilibrium structural forms of the Nin, n = 12-14, clusters, as defined by an embedded-atom potential, are obtained using molecular dynamics and thermal quenching simulations. The isomers (locally stable geometric forms) ...
Dynamics of the D(2)+Ni(100) collision system: Analysis of the reactive and inelastic channels

Böyükata, Mustafa; Güvenç, Büşra; Jackson, Bret; Jellinek, Johanna (Wiley-Blackwell, 2001)

The reactive and scattering channels of the D(2)(v, j) + Ni(100) collision system are studied using quasiclassical molecular dynamics simulations. The interaction between the D(2) and the atoms of the surface is modeled ...
Structure and reactivity of Ni(n) (n=7-14, 19) clusters

Böyükata, Mustafa; Güvenç, Ziya B.; Özçelik, Süleyman; Durmuş, Perihan; Jellinek, Julius (Wiley-Blackwell, 2001)

Results of a computer simulation study of Ni(n) (n = 7-14, 19) clusters, their structures, energetics, and reactivity with a D(2) molecule are presented. The clusters are described by an embedded atom potential, whereas ...
Eley-Rideal and hot atom reactions between hydrogen atoms on Ni(100): electronic structure and quasiclassical studies

Güvenç, Ziya B.; Sha, Xianwei; Jackson, Bret (Amer Inst Physics, 2001-11-15)

The reactions of gas-phase H (or D) atoms with D (or H) atoms adsorbed onto a Ni(100) surface are studied. Electronic structure calculations based on density functional theory are used to examine the interaction of H atoms ...
Kinetic model for Eley-Rideal and hot atom reactions between H atoms on metal surfaces

Jackson, Bret; Sha, Xianwei; Güvenç, Ziya B. (Amer Inst Physics, 2002-02-08)

A simple kinetic model is used to describe the interaction of H and D atomic beams with H- and D-covered metal surfaces. The atoms incident from the gas phase can have a direct Eley-Rideal reaction with an adsorbate, ...
Structures and energetics of Pd(n) (n=2-20) clusters using an embedded-atom model potential

Karabacak, Mehmet; Özçelik, Süleyman; Güvenç, Ziya B. (Elsevier Science BV, 2002-06-01)

We have studied the structure and energetics of the stable isomers of Pd(n) (n = 2-20) clusters by using molecular dynamics and slow-quenching techniques. Cohesion of the clusters is modeled by an embedded-atom potential ...
The effects of lattice motion on Eley-Rideal and hot atom reactions: Quasiclassical studies of hydrogen recombination on Ni(100)

Güvenç, Ziya B.; Sha, Xianwei; Jackson, Bret (Amer Chemical Soc, 2002-08-22)

Quasiclassical methods are used to simulate the interactions of H or D atom beams with D- or H-covered Ni(100) surfaces. The Ni substrate is treated as a multilayer slab, and the Ni atoms are allowed to move. The model ...
Comparison of physical optics integral and exact solutions for cylinder problem

Umul, Yusuf Ziya; Yengel, Emre; Aydın, Ayhan (2003)

The sound source composition of the urban sound environment varies depending on the geography and socio-cultural context. Current sound taxonomies in the literature categorize urban sound sources by their source types ...
Energetics and structures of small clusters: Pt(N), N=2-21

Sebetçi, Ali; Güvenç, Ziya B. (Elsevier Science BV, 2003-02-10)

The Voter and Chen version of an embedded-atom model, derived by fitting to experimental data of both diatomic molecule and bulk platinum simultaneously, has been applied to study the locally stable structures, energies ...
Hydrogen recombination on a mixed adsorption layer at saturation on a metal surface: H ->(D+H)(sat)+Ni(100)

Güvenç, Ziya B.; Güvenç, Dilek (Elsevier Science BV, 2003-04-01)

Interactions of H atom beams with (D + H)-covered Ni(1 0 0) surfaces are simulated at saturation level of 0.93 monolayer using quasi-classical microcanonical trajectory method. The Ni substrate is treated as a non-rigid ...
Structures and energetics of Pd-21-Pd-55 clusters

Karabacak, M.; Özçelik, S.; Güvenç, Ziya B. (Elsevier Science BV, 2003-06-10)

Using molecular dynamics and thermal quenching simulations the stable geometrical structures and energies of Pd-n (n = 21-55) clusters are identified. The interaction between the cluster atoms is modeled by an embedded-atom ...
Structures and melting of Cu-n (n=13, 14, 19, 55, 56) clusters

Özçelik, Süleyman; Güvenç, Ziya B. (Elsevier Science BV, 2003-06-10)

Constant-energy molecular dynamics simulation was utilized to study the most stable geometrical structures, binding energy, melting, phase changes of Cu-n (n = 13, 14, 19, 55, 56) clusters. These sizes form shell and near ...
Collisionless fragmentation of non-rotating Ni-n (n=4-14) clusters: a molecular dynamics study

Avcı, H.; Çivi, M.; Güvenç, Ziya B.; Jellinek, Julius (IOP Publishing LTD, 2003-08-28)

Collisionless fragmentation of non-rotating Ni-n (n = 4-14) clusters is studied using micro-canonical molecular dynamics (MD) computer simulations. The clusters are modelled by an embedded-atom potential energy surface. ...
Cosine-Gaussian laser beam intensity in turbulent atmosphere

Eyyuboğlu, Halil T.; Baykal, Yahya (Spie-Int Soc Optical Engineering, 2004)

The effects of turbulent atmosphere on cosine-Gaussian laser beams are examined. To this end, a cosine-Gaussian excitation is taken at the source plane, and subsequently the average intensity profile at the receiver plane ...
Average transmittance in turbulence for partially coherent sources

Baykal, Yahya (Elsevier Science BV, 2004-02-15)

Average intensity and power-transmittance in turbulence are formulated for a source with arbitrary degree of coherence (both spatial and temporal). Average power-transmittance is shown to reduce to the average intensity- ...
Dynamics of phase changes and melting of Pd-7 clusters

Karabacak, M.; Özçelik, S.; Güvenç, Ziya B. (Slovak Acad Sciences Inst Physics, 2004-06)

wWe have obtained the stable geometrical structures, energetics, melting behaviors and phase changes of Pd-7 clusters by using molecular dynamics and thermal quenching simulations. Cohesion of the clusters is modeled by ...
Rate averaging in free space optics systems using incoherent sources

Baykal, Yahya (Spie-Int Soc Optical Engineering, 2004-06-23)

Effect of the information rate on the scintillation index is examined for free space optical (FSO) broadband access applications that use spatially incoherent sources. For this purpose, intensity fluctuations are formulated ...
Global minima for free Pt-N clusters (N=22-56): a comparison between the searches with a molecular dynamics approach and a basin-hopping algorithm

Sebetçi, Ali; Güvenç, Ziya B. (Springer, 2004-07)

Using molecular dynamics and thermal quenching simulation techniques, and the basin-hopping Monte Carlo algorithm we have studied the global minima and energetics of free Pt-N clusters in the size range of N = 22-56. The ...
Molecule-surface interaction: dissociative chemisorption of a D(2) (v=0, j=0) molecule on rigid low index Ni surfaces

Böyükata, M.; Güvenç, Ziya B. (Elsevier Science BV, 2004-08-01)

D(2) + Ni-surface collision system has been studied by a quasiclassical molecular dynamic simulation method. Dissociative adsorption of a D(2) molecule on rigid Ni(1 0 0), Ni(1 1 0) and Ni(1 1 1) surfaces are investigated. ...
Reactivity of the Ni(n)(T) (n=54,55,56) clusters with D(2)(v,j) molecule: molecular dynamics simulations

Özçelik, Süleyman; Güvenç, Ziya B.; Durmuş, Perihan; Jellinek, Julius (Elsevier Science BV, 2004-09-20)

The reactive channel of the D(2) (v, j) + Ni(n) (T) (n = 54, 55, 56) collision system is studied via quasiclassical molecular dynamics simulations. The cluster is described using an embedded-atom potential, and the interaction ...

Toplam kayıt 571, listelenen: 1-20

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