STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS

Meral ERYÜREK

Makale detayları

STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS

Yazarlar:

Meral ERYÜREK

Yayıncı:

Fevzullah TEMURTAŞ

Dergi:

Electronic Letters on Science and Engineering 2016 Vol.12 Issue 2, pp.27-27

Belge Tipi:

Makale

Yayın Tarihi:

7/2016

Belge Dili:

Türkçe

Document ID (Org No.):

2000407300

pISSN:

1305-8614

Özet:

 

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.

Makale detayları

STRUCTURAL PROPERTIES OF SOME TRANSITION METAL CLUSTERS

Yazarlar: Meral ERYÜREK

Yayıncı: Fevzullah TEMURTAŞ

Dergi: Electronic Letters on Science and Engineering 2016 Vol.12 Issue 2, pp.27-27

Belge Tipi: Makale

Yayın Tarihi: 7/2016

Belge Dili: Türkçe

Document ID (Org No.): 2000407300

pISSN: 1305-8614

Sayı

Yazarlar:

Meral ERYÜREK

Yayıncı:

Fevzullah TEMURTAŞ

Dergi:

Electronic Letters on Science and Engineering 2016 Vol.12 Issue 2, pp.27-27

Belge Tipi:

Makale

Yayın Tarihi:

7/2016

Belge Dili:

Türkçe

Document ID (Org No.):

2000407300

pISSN:

1305-8614