Güvenç, Ziya Burhanettin

Güvenç, Ziya Burhanettin

Profile URL

https://hdl.handle.net/20.500.12416/8931

Name Variants

Güvenç, Ziya B.
Güvenc, ZB
Güvenç, Z
Güvenç, Z.B.
Güvenç, ZB
Guvenc, Ziya B.
Guevenc, Ziya B.
Guvenc, Z. B.
Guvenc, ZB
Güvenç, Ziya B.
Güvenç, Ziya B.

Job Title

Prof. Dr.

Email Address

guvenc@cankaya.edu.tr

Main Affiliation

06.01. Bilgisayar Mühendisliği
06. Mühendislik Fakültesi
01. Çankaya Üniversitesi
06.01. Bilgisayar Mühendisliği
Bilgisayar Mühendisliği
06. Mühendislik Fakültesi
01. Çankaya Üniversitesi

Status

Former Staff

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This researcher does not have a Scopus ID.

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Scholarly Output

62

Articles

47

Views / Downloads

2731/68

Supervised MSc Theses

0

Supervised PhD Theses

0

WoS Citation Count

943

Scopus Citation Count

704

WoS h-index

17

Scopus h-index

15

Patents

0

Projects

0

WoS Citations per Publication

15.21

Scopus Citations per Publication

11.35

Open Access Source

10

Supervised Theses

0

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Journal	Count
Modelling and Simulation in Materials Science and Engineering	5
Communications in Nonlinear Science and Numerical Simulation	4
International Journal of Modern Physics C	4
Chinese Physics Letters	3
Physica Scripta	3

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Scholarly Output Search Results

Now showing 1 - 10 of 62

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: 32
Density Functional Study of Physical and Chemical Properties of Nano Size Boron Clusters: Bn (n=13-20)
(Chinese Physical Soc, 2009) Ozdogan, Cem; Guvenc, Ziya B.; Atis, Murat
Boron is an element that has ability to build strong and highly directional bonds with boron itself. As a result, boron atoms form diverse structural motifs, ultimately can yield distinct nano structures, such as planar, quasi-planar, convex, cage, open-cage, tubular, spherical., ring, dome-like, shell, capsule, and so on, i.e., it can take almost any shape. Therefore, a deep understanding of the physical and chemical properties becomes important in boron cluster chemistry. Electronic and geometric structures, total and binding energies, harmonic frequencies, point symmetries, charge distributions, dipole moments, chemical bondings and the highest occupied molecular orbital-lowest unoccupied molecular orbital energy gaps of neutral B-n (n=13-20) clusters have been investigated by, density functional theory (DFT), B3LYP with 6-311++G(d,p) basis set. Furthermore, the first and the second energy differences are used to obtain the most stable sizes. We have observed that almost all physical properties are size dependent, and double-ring tubular form of B-20 has the highest binding energy per atom. The icosahedral structure with an inside atom is found as impossible as a stable structure for the size thirteen. This structure transforms to an open-cage form. The structural transition from two-dimensional to three-dimensional is found at the size of 20 and consistent with the literature. The calculated charges by the Mulliken analysis show that there is a symmetry pattern with respect to the x-z and y-z planes for the charge distributions. The unusual planar stability of the boron clusters may be explained by the delocalized pi and sigma bonding characteristic together with the existence of the multicentered bonding. The results have been compared to available studies in the literature.
Citation - WoS: 8
Citation - Scopus: 7
Sputtering Yield and Dynamical Analysis of Ni(100) Surface: a Comparison of Four Different Ar-Surface Interaction Potentials
(Elsevier Science Bv, 2000) Güvenç, ZB; Hundur, Y; Hippler, R
The sputtering process of the Ar + Ni(100) collision system is investigated by means of constant energy molecular dynamics simulations. The Ni(100) is mimicked by an embedded-atom potential, and the interaction between the projectile and the surface is modelled by using four different screened Coulomb type potentials. The Ni atom emission from the lattice is analysed over the range of 10-40 eV collision energy. The maximum penetration depths of Ar, probability distributions of kinetic energy of the reflected Ar, and energy of the Ar and sputtered Ni atoms in the same collision events are evaluated as functions of the impact energy and sputtering time. Further, angular distributions of the scattered Ar are obtained. The calculated sputtering yields are compared with the available theoretical and experimental data. (C) 2000 Elsevier Science B.V. All rights reserved.
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: 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.
A Simple Analytical Eam Model for Some Bcc Metals (Retraction of Vol 15, Pg 1259, 2010)
(Elsevier Science Bv, 2011) Dursun, Ibrahim H.; Guvenc, Ziya B.; Kasap, E.
MD study of energetics, melting and isomerization of aluminum microclusters
(Springer, 2006) Böyükata, Mustafa; Güvenç, Ziya B.
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 - 13. 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. A large number (10000) of independent initial configurations generated at high temperatures has been used to obtain the stable isomers, and the probabilities of sampling different basins of attractions, for each size of the clusters. Their energy spectra have been determined and melting, and isomerization dynamics are investigated.
Hydrogen hosting of nanoscale boron cluster
(Editura Academiei Romane, 2008) Böyükata, Mustafa; Özdoğan, C.; Güvenç, Ziya B.
In this paper the Density Functional Results of hydrogen bonded boron micro clusters with B3LYP/6-311++G(d,p) level of computations will be presented. Energetics and structural stability with their possible stable geometries of various selected micro complexes of B(m)H(n) (for m and n <= 11 )boron hydrides have been analysed, and their binding energies with HOMO-LUMO energy gaps have been determined. Mainly, erects of the number of hydrogen atoms on the structures of the boranes are assessed. Moreover, for the cage configurations their distortions have been investigated for the neutral, anionic and cationic cases. It has been observed that there have been two opposing factors for the cage configurations. One of which is the "peeling" of the cage structures by the hydrogen atoms, and the other one is reforming a smaller cage form simultaneously with there remaining boron atoms inside. This is observed mostly for the odd values of m. From our studies it has been also observed that with the bare boronclusters alone, it is difficult to increase the capacity of the hydrogen storage. Therefore, further studies are necessary with the boron complexes
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.
Citation - WoS: 160
The Unusually Stable B100 Fullerene, Structural Transitions in Boron Nanostructures, and a Comparative Study of Α- and Γ-Boron and Sheets
(Amer Chemical Soc, 2010) Mukhopadhyay, S.; Hayami, W.; Guvenc, Z. B.; Pandey, R.; Boustani, I.; Ozdogan, C.
Solid alpha-B-12 rhombohedral and gamma-B-28 orthorhombic boron as well as boron nanostructures in the form of spheres, sheets, and multirings beside a ring consisting of icosahedral B-12 units were investigated using ab initio quantum chemical and density functional methods. The structure of the 131(x) fullerene exhibits unusual stability among all noninteracting free-standing Clusters, and is more stable than the 13120 cluster fragment of the gamma-B-28 solid, recently predicted and observed by Oganov et al. (Nature 2009, 457, 863). In addition, we compared the stability of the multirings and reported the structural transition from double-ring to triple-ring systems. This structural transition Occurs between B-52 and B-54 Clusters. We confirm that the noninteracting free-standing triangular buckled-sheet is more stable than the gamma-sheet, assembled in this work, and than the a-sheet, proposed by Tang and Ismail-Beigi (Phys. Rev. Lett. 2007, 99, 115501). In contrast, however, when these sheets are considered as infinite periodic systems, then the a-sheet remains the most stable one.

Güvenç, Ziya Burhanettin

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Sustainable Development Goals

13

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Research Products

8

DECENT WORK AND ECONOMIC GROWTH

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3

GOOD HEALTH AND WELL-BEING

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15

LIFE ON LAND

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17

PARTNERSHIPS FOR THE GOALS

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14

LIFE BELOW WATER

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4

QUALITY EDUCATION

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11

SUSTAINABLE CITIES AND COMMUNITIES

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6

CLEAN WATER AND SANITATION

0

Research Products

10

REDUCED INEQUALITIES

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INDUSTRY, INNOVATION AND INFRASTRUCTURE

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12

RESPONSIBLE CONSUMPTION AND PRODUCTION

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ZERO HUNGER

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Research Products

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NO POVERTY

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AFFORDABLE AND CLEAN ENERGY

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5

GENDER EQUALITY

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16

PEACE, JUSTICE AND STRONG INSTITUTIONS