Elektronik ve Haberleşme Mühendisliği Bölümü Yayın Koleksiyonu
Permanent URI for this collectionhttps://hdl.handle.net/20.500.12416/260
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Article Citation - WoS: 1Citation - Scopus: 1Structures and Energetics of Cu21-Cu71 Clusters: a Molecular Dynamics Study(Gazi Univ, 2009) Güvenç, Ziya Burhanettin; Cetin, Saime Sebnem; Ozcelik, Suleyman; Guvenc, Ziya B.; Bilgisayar MühendisliğiUsing Molecular Dynamics and thermal quenching simulations the stable geometrical structures and energies of Cun (n=21-71) clusters are identified. The interaction between the cluster atoms is modeled by an EmbeddedAtom Potential Surface, Voter and Chen's version. The stable geometrical structures and energies are obtained from 500 phase space coordinates generated along high-energy trajectories. The internal energy (about T=2500 K) is above the melting temperature of the Cun clusters. The thermal quenching technique is employed to remove slowly the internal kinetic energy of the clusters. Because of this slow minimization process the locally stable isomers are separated from those meta-stable ones.Correction Uniform Theory for the Diffraction of Evanescent Plane Waves: Publisher's Note (Vol 24, Pg 2426, 2007)(Optical Soc Amer, 2007) Umul, Yusuf Z.Conference Object Citation - WoS: 3Citation - Scopus: 5Reactivity of the Nin(T) (N=54,55,56) Clusters With D2(V,j) Molecule: Molecular Dynamics Simulations(Elsevier Science Bv, 2004) Özçelik, S; Güvenç, ZB; Durmus, P; Jellinek, JThe 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 between the molecule and the cluster is modeled by a LEPS (London-Eyring-Polanyi-Sato) potential energy function. Dissociative chemisorption probabilities are computed as functions of the impact parameter and the collision energy, and are used to evaluate the reaction cross-sections. Effects of the initial rovibrational states of the molecule and the temperatures of the clusters on the reactive channel are analyzed. Reaction rate constants are also computed and compared with those measured experimentally. (C) 2004 Elsevier B.V. All rights reserved.Article Citation - WoS: 24Citation - Scopus: 24Molecular Dynamics Simulation of the Melting Behaviour of 12-, 13-, 14-Atom Icosahedral Platinum Clusters(Iop Publishing Ltd, 2004) Sebetci, A; Guvenc, ZBUsing the molecular dynamics simulation technique, we have studied the melting behaviour of free, icosahedral Pt-N clusters in the size range of N = 12-14. The Voter and Chen version of an embedded-atom model, derived by fitting to experimental data of both the diatomic molecule and bulk platinum simultaneously, has been employed in this study. We present an atom-resolved analysis method that includes physical quantities such as the root mean square bond-length fluctuation and coordination number for individual atoms as functions of temperature. The results show that while the 13-atom icosahedron and the 12-atom cluster with a vacancy on the icosahedral surface exhibit one-stage melting, the 14-atom cluster with an adatom on the icosahedral surface undergoes two-stage melting, as the temperature increases.Article Citation - WoS: 7Citation - Scopus: 8Molecule-Surface Interaction: Dissociative Chemisorption of a D2 (V=0, J=0) Molecule on Rigid Low Index Ni Surfaces(Elsevier Science Bv, 2004) Böyükata, M; Güvenç, ZBD(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. Interactions between the molecule and Ni surfaces were described by a LEPS potential. The contour plots of the LEPS function is presented as functions of the distances between the center of mass of the D(2) and surface, and between the two deuterium atoms (D-D) for topologically different sites of the surfaces. Dissociative chemisorption probabilities of the D(2) (nu = 0, j = 0) molecule on various sites of the surfaces are presented for different translation energies between 0.001 and 1.0 eV. The probabilities obtained at each collision site have unique behavior. At low collision energies indirect processes enhance the reactivity. The results are compared with the available studies. The physical mechanisms underlying the results are discussed. (C) 2004 Elsevier B.V. All rights reserved.Article Citation - WoS: 19Citation - Scopus: 19Global Minima for Free Ptn Clusters (n=22-56): a Comparison Between the Searches With a Molecular Dynamics Approach and a Basin-Hopping Algorithm(Springer, 2004) Sebetci, A; Güvenç, ZBUsing 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 clusters have been described by the Voter and Chen version of an embedded-atom model, which is derived by fitting to experimental data of both the diatomic molecule and bulk platinum simultaneously. A comparison between the two search techniques has been performed and it is found that the basin-hopping algorithm is more efficient than a molecular dynamics minimization approach in the investigation of the global minima. The results show that the global minima of the Pt clusters have structures based on either octahedral, decahedral or icosahedral packing. Some of the icosahedral global minima do not have a central atom. The 54-atom icosahedron without a central atom is found to be more stable than the 55-atom complete icosahedron. The resulting structures have been compared with the previous theoretical calculations.Article Citation - WoS: 127Citation - Scopus: 135Average Intensity and Spreading of Cosh-Gaussian Laser Beams in the Turbulent Atmosphere(Optical Soc Amer, 2005) Eyyuboglu, HT; Baykal, YThe average intensity and spreading of cosh-Gaussian laser beams in the turbulent atmosphere are examined. Our research is based principally on formulating the average-intensity profile at the receiver plane for cosh-Gaussian excitation. The limiting cases of our formulation for the average intensity are found to reduce correctly to the existing Gaussian beam wave result in turbulence and the cosh-Gaussian beam result in free space (in the absence of turbulence). The average intensity and the broadening of the cosh-Gaussian beam wave after it propagates in the turbulent atmosphere are numerically evaluated versus source size, beam displacement, link length, structure constant, and two wavelengths of 0.85 and 1.55 mum, which are most widely used in currently employed free-space-optical links. Results indicate that in turbulence the beam is widened beyond its free-space diffraction values. At the receiver plane, analogous to the case of free space, this diffraction eventually leads to transformation of the cosh-Gaussian beam into an oscillatory average-intensity profile with a Gaussian envelope. (C) 2005 Optical Society of America.Article Citation - WoS: 6Citation - Scopus: 7Bombardment of Ni(100) Surface With Low-Energy Argons: Molecular Dynamics Simulations(Elsevier Science Sa, 2005) Güvenç, ZB; Hippler, R; Jackson, BResults of molecular dynamics simulations of the sputtering of Ni(100) by Ar atoms are reported. The solid is described by an embedded atom potential, and the interaction between the projectile and the metal atoms is modelled by a Morse-like function. Processes leading to Ni atom emissions from the lattice are analysed over the energy range of 70-80 eV In this energy range cluster (larger than three atoms) emission is not observed. The maximum penetration depth of Ar, the kinetic energy and angular distributions of the reflected Ar, and the sputtered Ni atoms are evaluated as functions of the impact energy and sputtering time. The computed sputtering yield is compared with the available theoretical and experimental data. (C) 2004 Elsevier B.V. All rights reserved.Article Citation - WoS: 48Citation - Scopus: 55Log-Amplitude and Phase Fluctuations of Higher-Order Annular Laser Beams in a Turbulent Medium(Optical Soc Amer, 2005) Baykal, YLog-amplitude and phase-correlation and structure functions of higher-order annular laser beams in a turbulent atmosphere are derived. A higher-order annular beam source is defined as the superposition of two different higher-order Hermite-Gaussian beams. A special case of such an excitation is the annular Gaussian beam in which two beams operate at fundamental modes of different Gaussian beam sizes, yielding a doughnut-shaped (annular) beam when the second beam is subtracted from the first beam. Our formulation utilizes Rytov approximation, which makes it applicable in the weak-turbulence regime, especially for log-amplitude fluctuations. Limiting cases of our formulations correctly match with known higher-order-mode solutions that in turn reduce to the Gaussian-beam-wave (TEM00-mode) results. Our results can be applied to determine the scintillation index and the phase fluctuations in free-space optics links under higher-order annular laser beam excitation. Except for the numerical evaluation of a specific example covering an annular Gaussian beam, the results in general are left in integral form and need to be numerically evaluated in detail to obtain quantitative results. (c) 2005 Optical Society of America.Article Citation - WoS: 3Citation - Scopus: 3Collisionless Fragmentation of Non-Rotating Nin (n=4-14) Clusters: a Molecular Dynamics Study(Iop Publishing Ltd, 2003) Avci, H; Çivi, M; Güvenç, ZB; Jellinek, JCollisionless 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. The distributions of the channel-specific fragmentation probabilities, and the global and channel-specific fragmentation rate constants are computed and analysed as functions of the internal energy and size of the clusters. The trends derived from the dynamical calculations are compared to the fragmentation energy patterns, those of the Rice-Ramsperger-Kassel (RRK) and statistical approaches. The rate constants are an order of magnitude smaller for the RRK model than with both the MD and transition-state theory approaches. The results are also compared with the other multi-channel fragmentation works.