Meral ERYÜREK

STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS

The structural properties of small XN with 6 ≤ N ≤ 55 (X: Ag, Cd, Co, Cu, Ir, Ni, Pd, Pt, Rh, Ti, Zn and Zr) clusters were studied using Genetic Algorithm. Cohesion of the clusters was modeled by Gupta potential, which contains many-body atomic interactions. The global minimum energies, mean bond lengths and differences between first and second energy were calculated, and these quantities were plotted as a function of cluster size and were compared with each other. The results were evaluated with the bulk properties of metals that are melting temperatures, atomic radiuses. Geometrical magic number clusters were obtained and were investigated. Finally, our preliminary analysis showed that one can easily optimize the classical structures with high level of accuracy considering the well stablished classical Gupta potential. These results can be at least for small clusters used as initial guess to deal with more efficient and precise calculations based on quantum mechanics.

Keywords:

Transition Metal Cluster, Genetic Algorithm, Gupta Potential Magic Number,

Tam Metin

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Bibtex	@ { else313723, journal = {Electronic Letters on Science and Engineering}, issn = {1305-8614}, address = {Bozok University, Electrical and Electronics Engineering, Erdoğan Akdag Kampus, 66200, Yozgat, TURKEY.}, publisher = {Fevzullah TEMURTAŞ}, year = {2016}, volume = {12}, number = {2}, pages = {27 - 27}, title = {STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS}, key = {cite}, author = {Eryürek, Meral} }
APA	Eryürek, M. (2016). STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS . Electronic Letters on Science and Engineering , 12 (2) , 27-27 .
MLA	Eryürek, M. "STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS" . Electronic Letters on Science and Engineering 12 (2016 ): 27-27 <
Chicago	Eryürek, M. "STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS". Electronic Letters on Science and Engineering 12 (2016 ): 27-27
RIS	TY - JOUR T1 - STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS AU - MeralEryürek Y1 - 2016 PY - 2016 N1 - DO - T2 - Electronic Letters on Science and Engineering JF - Journal JO - JOR SP - 27 EP - 27 VL - 12 IS - 2 SN - 1305-8614- M3 - UR - Y2 - 2022 ER -
EndNote	%0 Electronic Letters on Science and Engineering STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS %A Meral Eryürek %T STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS %D 2016 %J Electronic Letters on Science and Engineering %P 1305-8614- %V 12 %N 2 %R %U
ISNAD	Eryürek, Meral . "STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS". Electronic Letters on Science and Engineering 12 / 2 (Ağustos 2016): 27-27 .
AMA	Eryürek M. STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS. Electronic Letters on Science and Engineering. 2016; 12(2): 27-27.
Vancouver	Eryürek M. STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS. Electronic Letters on Science and Engineering. 2016; 12(2): 27-27.
IEEE	M. Eryürek , "STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS", , c. 12, sayı. 2, ss. 27-27, Ağu. 2016