Elektronik ve Haberleşme Mühendisliği Bölümü

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Citation - WoS: 8
Citation - Scopus: 8
Dynamics of the D2+ni(100) Collision System: Analysis of the Reactive and Inelastic Channels
(Wiley-blackwell, 2001) Böyükata, M; Güvenç, ZB; Jackson, B; Jellinek, J
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 by a LEPS (London-Eyring-Polani-Sato) potential energy function. The molecule is aimed at three different impact sites (atop, bridge, and center) of a rigid Ni(100) surface along the normal direction with various collision energies less than or equal to1.0 eV. Dissociative chemisorption probabilities are computed for different rotational states of the molecule. Probability distributions of the final rovibrational states of the ground-state Dp molecule scattered from those impact sites are also computed as a function of the collision energy. Higher collision energy results in excitation of higher rotational and/or vibrational states of the scattered molecule. At collision energies below 0.1 eV an indirect dissociation mechanism (through molecular adsorption) dominates the reaction. (C) 2001 John Wiley & Sons, Inc.
Citation - WoS: 22
Citation - Scopus: 21
Structure and Reactivity of Nin (n=7-14, 19) Clusters
(Wiley, 2001) Böyükata, M; Güvenç, ZB; Özçelik, S; Durmus, P; Jellinek, J
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 the interaction between the molecule and the clusters is modeled by an LEPS (London-Eyring-Polanyi-Sato) potential energy function. The focus is on structures of the dusters and their reactive channels. The total numbers of stable isomers of the clusters are obtained by sampling their phase space, and the isomers' energy spectra are determined. On the reactive side, dissociative chemisorptions cross sections and decay-rate constants are calculated. (C) 2001 John Wiley & Sons, Inc.
Citation - WoS: 41
Citation - Scopus: 42
Eley-Rideal and Hot Atom Reactions Between Hydrogen Atoms on Ni(100): Electronic Structure and Quasiclassical Studies
(Amer inst Physics, 2001) Guvenc, ZB; Sha, XW; Jackson, B
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 with the Ni(100) surface, as well as the interactions between two H atoms near the metal surface. A model potential-energy surface based on ideas from effective medium theory is fit to the results of these electronic structure calculations. Quasiclassical trajectory methods are used to simulate the interaction of low energy H and D atom beams with H and D-covered Ni(100) surfaces. It is found that hot-atom processes dominate the formation of molecular hydrogen. The distribution of energy in the product molecules is examined with regard to the various pathways available for reaction. The initial adsorbate coverage is varied and is shown to control the relative amounts of reflection, reaction, sticking, and subsurface penetration. Our results are compared with those from similar studies on Cu(111) and available experimental data for Ni(100). (C) 2001 American Institute of Physics.
Citation - WoS: 46
Kinetic Model for Eley-Rideal and Hot Atom Reactions Between H Atoms on Metal Surfaces
(Amer inst Physics, 2002) Jackson, B; Sha, XW; Guvenc, ZB
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, reflect, penetrate into the bulk, knock an adsorbate out of its binding site, or trap to form a hot atom. These hot mobile atoms can go on to react with other adsorbates, or eventually relax and stick. A coarse-graining approach, which takes advantage of the large difference between the time scales for the kinetics experiments and the reaction dynamics, allows us to derive relatively simple kinetic equations for reaction rates and coverages. The approach is similar to a kinetic random walk model developed by Kuppers and co-workers [J. Phys. Chem. 109, 4071 (1998)] except that our equations can be used to derive analytical expressions for saturation coverages, rates, and yields. The model is applied to the case of H atom reactions on a Ni(100) surface, and a detailed comparison is made with both experimental and quasiclassical studies. (C) 2002 American Institute of Physics.
Citation - WoS: 36
Citation - Scopus: 30
Structures and Energetics of Pdn (n=2-20) Clusters Using an Embedded-Atom Model Potential
(Elsevier Science Bv, 2002) Karabacak, M; Özçelik, S; Güvenç, ZB
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 due to Voter and Chen, which contains many-body atomic interactions. The isomers' statistics are obtained from 10000 independent initial configurations, which have been generated along a high-energy trajectory (the chosen energy value is high enough to melt the cluster). The internal kinetic energy of these initial conditions is removed slowly. Because of this slow minimization process the locally stable isomers are separated from those meta-stable ones. Probabilities belonging to sampling the basins of attractions of each isomer are computed, and compared with each other. Furthermore, the spectrum, which is formed by isomers' energies, is analyzed. (C) 2002 Published by Elsevier Science B.V.
Citation - WoS: 27
Citation - Scopus: 31
The Effects of Lattice Motion on Eley-Rideal and Hot Atom Reactions: Quasiclassical Studies of Hydrogen Recombination on Ni(100)
(Amer Chemical Soc, 2002) Guvenc, ZB; Sha, XW; Jackson, B
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 potential energy surface is fit to the results of detailed total-energy calculations based on density functional theory. Most of the incident atoms trap to form hot atoms, which can eventually react with an adsorbate, or dissipate their energy and stick. The incident atom is found to lose several tenths of an eV of energy into the metal, upon initially colliding with the surface. This limits reflection to a few percent, at all coverages, and secondary reactions between adsorbates are significantly lowered. Long time hot atom reactions are also found to be damped out by the inclusion of lattice motion, leading to increased sticking, even at high coverages where dissipation into the adsorbates should be the primary energy loss mechanism. Overall, the inclusion of lattice motion is found to improve agreement with experiment.
Citation - WoS: 73
Citation - Scopus: 70
Energetics and Structures of Small Clusters: Ptn, N=2-21
(Elsevier, 2003) Sebetci, A; Güvenç, ZB
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 and growth patterns of small platinum clusters in the size range of N = 2-21. 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. Ten thousand independent initial configurations generated at high temperatures (about 2600 K) were used to obtain the number of isomers and the probabilities of sampling different basins of attractions, for each size of the clusters. Their energy spectra have been analyzed. Comparisons have been made with the results of previous calculations using electronic structure and empirical potential methods. Although many of the lowest energy structures correspond to icosahedral growth, a number of new structures have been identified for N = 15, 16, 17, 18, 20 and 21. It has been found that the lowest energy structures are not always the most probable isomers for each size. (C) 2002 Elsevier Science B.V. All rights reserved.
Comparison of physical optics integral and exact solutions for cylinder problem
(2003) Umul, Yusuf Ziya; Yengel, Emre; Aydın, Ayhan
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 (e.g., human-made, natural, electromechanical) and respective semantic attributes. This study aims to add another taxonomical layer to the existing urban sound source categorization methods. The additional layer is a recently proposed sound source classification framework (CLIC). The CLIC framework identifies sound sources based on their Diegesis and Intention parametric attributes. The former parametric attribute, diegesis, was derived from film sound design. The geographical and socio-cultural context of the built environment can be considered as its narrative; hence, every event that happens within the functional context can be called diegetic, while the events that do not belong to that specific place can be called nondiegetic. The latter parametric attribute, intention, was derived from product design. One of the prominent sound source categorization methods in product sound design is to group the product emitted sounds as consequential and intentional. Combining these two parametric attributes with the existing taxonomies, the CLIC framework outputs a place-specific design guideline, clearly dictating the actions a sound designer should take. The two parametric attributes group the sound sources under four distinct areas, which dictates the degree of influence of designers on the specific sound source. The four zones are defined as the creation zone, limitation zone, isolation zone, and control zone. Each zone dictates step-by-step sound design instructions for the sound designer. This study consists of two main phases: field recordings and web-based listening tests. The sound sources present in the urban sound environment were identified in the field recordings phase. Later, in the web-based listening tests phase, the identified sound sources were evaluated based on the CLIC framework, and hence, their respective zones on the model were identified. The outcomes of the study propose clear step-by-step design guidelines and present action suggestions for environmental sound designers.
Citation - WoS: 3
Citation - Scopus: 3
Collisionless Fragmentation of Non-Rotating Nin (n=4-14) Clusters: a Molecular Dynamics Study
(Iop Publishing Ltd, 2003) Avci, H; Çivi, M; Güvenç, ZB; Jellinek, J
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. 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.
Citation - WoS: 14
Citation - Scopus: 13
Structures and Energetics of Pd21-Pd55 Clusters
(Elsevier Science Bv, 2003) Karabacak, M; Özçelik, S; Güvenç, ZB
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 (EA) potential energy surface, Voter and Chen's version. The stable geometrical structures and their minimum energies are obtained from 500 phase space coordinates generated along high-energy trajectories. The internal energies (about T = 2500 K) are above the melting temperature of the Pd-n 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. Stability of the clusters is examined by the first and the second energy differences. The average bond lengths are obtained and analyzed as a function of the size of the clusters. (C) 2003 Elsevier Science B.V. All rights reserved.
Citation - WoS: 29
Citation - Scopus: 30
Structures and Melting of Cun (N=13, 14, 19, 55, 56) Clusters
(Elsevier Science Bv, 2003) Özçelik, S; Güvenç, ZB
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 shell structures. The cohesion of clusters is modeled by an embedded-atom potential, which contains many-body atomic interaction terms. Phase space coordinates which are generated along high-energy trajectories are used as the initial configurations (500 independent configurations) for thermal quenching in order to obtain the most stable isomers. The melting temperatures of the clusters are estimated. The melting-like transition is described in terms of relative root-mean-square bond-length fluctuations, specific heats, and caloric curves. (C) 2003 Elsevier Science B.V. All rights reserved.
Citation - WoS: 10
Citation - Scopus: 9
Hydrogen Recombination on a Mixed Adsorption Layer at Saturation on a Metal Surface: H→(D+h)sat+ni
(Elsevier, 2003) Güvenç, ZB; Güvenç, D
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 multilayer slab using an embedded-atom method. The model many-body potential energy surface London-Eyring-Polanyi-Sato used to characterize the interactions between H-H and H-Ni(1 0 0) systems parameterized by fitting to the results of detailed total-energy calculations based on density functional theory. Since most of the incident H atoms trap to form hot atoms, reactions between the projectile atom and adsorbates are mainly due to the hot atom process. Results of a linear behavior of the total HD and quadratic behavior of the D-2 yields with the initial D coverage, in addition, significantly low secondary reactions between the adsorbates are found to be in good agreement with the experiment. In addition distributions of the rotational states of the product molecules, molecular desorption angles, vibrational states of the product molecules, molecular formation and desorption time, total and translational energies of the product molecules are also calculated as functions of different H and D coverages on the surface. (C) 2003 Elsevier Science B.V. All rights reserved.
Citation - WoS: 19
Citation - Scopus: 19
Global 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, ZB
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 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.
Citation - WoS: 33
Citation - Scopus: 34
Average Transmittance in Turbulence for Partially Coherent Sources
(Elsevier, 2004) Baykal, Y
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-transmittance if the receiver dimension is much less than the beam size. The average transmittance is found to attain its minimum value when the source is on the order of the Fresnel zone, irrespective of the degree of coherence of the source. We obtain the correct average intensity when the source is coherent, partially coherent and incoherent. Average transmittances due to turbulence are found for practical FSO (Free Space Optics) communication links. (C) 2003 Elsevier B.V. All rights reserved.
Citation - WoS: 3
Citation - Scopus: 5
Reactivity 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, J
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 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.
Rate Averaging in Free Space Optics Systems Using Incoherent Sources
(Spie-int Soc Optical Engineering, 2004) Baykal, Y
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 indicating the effect of the rate on the scintillation index in the presence of the atmospheric turbulence. The bandwidth of modulation of the incoherent source is taken to be much smaller than the carrier frequency, i.e., narrowband approximation is employed. Rate averaging factor for spatially incoherent source is derived as to represent the averaging in weak atmospheric turbulence due to rate of modulation of the intensity. It is found that the scintillations decrease as the rate of transmission through atmospheric turbulence increases. This decrease is independent of the carrier wavelength of the FSO system but depends on the outer scale of turbulence. Up to 10 Gbps, the decrease is negligible for realistic outer scale values. When extremely large eddies are present in the formation of turbulence, rate can be effective in the reduction of the scintillations even at rates up to 10 Gbps. In the limit when the information rate is taken as zero, our results correctly reduce to the known scintillations for spatially incoherent monochromatic excitation.
Modified theory of physical optics
(2004) Umul, Yusuf Ziya; 42699
A new procedure for calculating the scattered fields from a perfectly conducting body is introduced. The method is defined by considering three assumptions. The reflection angle is taken as a function of integral variables, a new unit vector, dividing the angle between incident and reflected rays into two equal parts is evaluated and the perfectly conducting (PEC) surface is considered with the aperture part, together. This integral is named as Modified Theory of Physical Optics (MTPO) integral. The method is applied to the reflection and edge diffraction from a perfectly conducting half plane problem. The reflected, reflected diffracted, incident and incident diffracted fields are evaluated by stationary phase method and edge point technique, asymptotically. MTPO integral is compared with the exact solution and PO integral for the problem of scattering from a perfectly conducting half plane, numerically. It is observed that MTPO integral gives the total field that agrees with the exact solution and the result is more reliable than that of classical PO integral. (C) 2004 Optical Society of America.
Citation - WoS: 8
Citation - Scopus: 8
Comparative Analysis on Wavelet-Based Detection of Finite Duration Low-Amplitude Signals Related To Ventricular Late Potentials
(Iop Publishing Ltd, 2004) Mousa, A; Yilmaz, A
Ventricular late potentials (VLPs) are considered as a noninvasive marker of patients with myocardial infarction, who are prone to the development of ventricular tachycardia. This paper investigates the effects of variations in physical properties of myocardial infarcts in terms of their effects on the parametric variations in VLP analysis. A sufficiently large set of signals underlining the behavior of physical parameters was employed to represent the effect of physical size, position, orientation and type of infarct. The approximated signals are variations from real electrocardiography signals by adding potentials representing late potentials based on duration, frequency, amplitude and position. The aim is not to exactly model VLP but rather to generate an approximate set of signals to examine the performance of the standard methods for different possibilities in infarct dynamics. We investigate some of the detection approaches together with their related assumptions, and try to pinpoint the drawbacks and inaccuracies of these methods and also their assumptions. The three widely accepted criteria-QRS duration, root-mean-square and duration of the signal at the end of QRS for VLP detection-were used in the investigation. Results from the application of these parameters to the set of signals are presented. In addition we investigate the physical nature of an infarct and list a number of possible reasons that might be the cause of a low success rate for the detection of additive potentials. To improve the performance of the common methods, two more wavelet transform parameters are added to those of the standard methods. The method derived from this analysis is presented as an alternative means for the detection of late signals named as delayed potentials, a more general class that includes VLP as a subset.
Citation - WoS: 7
Citation - Scopus: 8
Molecule-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, ZB
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. 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.
Citation - WoS: 24
Citation - Scopus: 24
Molecular Dynamics Simulation of the Melting Behaviour of 12-, 13-, 14-Atom Icosahedral Platinum Clusters
(Iop Publishing Ltd, 2004) Sebetci, A; Guvenc, ZB
Using 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.

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