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.Article Citation - WoS: 18Citation - Scopus: 19Scattering by an Impedance Half-Plane: Comparison of the Solutions of Raman/Krishnan and Maliuzhinets/Senior(Electromagnetics Acad, 2009) Umul, Y. Z.There are three approaches for the solution of the diffraction problem of plane waves by an impedance half-plane in the literature. The diffracted field expressions, obtained by the related methods, are compared numerically. The examination of the scattered field shows that the most reliable solution is the field representation of Raman and Krishnan. Since the diffracted fields of Senior and Maliuzhinets do not compensate the discontinuities of the geometrical optics waves at the transition regions.Article Citation - Scopus: 11Rigorous Expressions for the Equivalent Edge Currents(Electromagnetics Academy, 2009) Umul, Y.Z.An exact form for the equivalent edge current is derived by using the axioms of the modified theory of physical optics and the canonical problem of half-plane. The edge current is expressed in terms of the parameters of incident and scattered rays. The analogy of the method with the boundary diffraction wave theory is put forward. The edge and corner diffracted waves are derived for the problem of a black half-strip.Conference Object Hydrogen Hosting on Aluminum-Doped Boron Clusters: Density Functional Theory(Institute of Physics Publishing, 2009) Böyükata, M.; Güvenç, Z.B.The geometries, stabilities, and energetics of aluminum doped boron clusters, up to 13-atom, and their various hydrogenated complexes have been investigated via the density functional theory (DFT). The geometry optimizations have been carried out by using B3LYP functional and 6-311++G11 basis set. Up to 5-atom clusters arrangements of the atoms, in the most stable structures, have two-dimensional forms. From 6- to 13-atom clusters three-dimensional forms are favored by the lowest energy structures. Hydrogen hosting effects the structures of AlBn clusters. Adding an Al atom to the cage B12 leads structural changes but hydrogenated boron, B12H12 can resist to Al effect. © 2009 IOP Publishing Ltd.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.