Effective interatomic pair potentials for liquid silver-tin alloys
Küçük Resim Yok
Tarih
2007
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Amer Inst Physics
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The transferability of the local evanescent core (EC) pseudopotential to liquid AgSn binary alloys have been tested. The effective interatomic pair potentials derived from the evanescent core electron-ion potential which was constructed by Nogueira and co-workers have been calculated using the second order perturbation theory. The structural properties of liquid Ag-Sn alloys at different compositions of tin have obtained using the Variational Modified Hypernetted Chain (VMHNC) integral equation theory of liquids. The results for the partial structure factors and total structure factors near their melting have been compared with experimental data. The computed structural characteristics exhibit the correct trends with experiment. It has been shown the ability of the universal density dependent version of the EC potential to be used in the case of liquid Ag-Sn simple metals and metal alloys. The charge transferred between atoms have also been investigated.
Açıklama
6th International Conference of the Balkan-Physical-Union -- AUG 22-26, 2006 -- Istanbul, TURKEY
Anahtar Kelimeler
Liquid Ag-Sn Alloys, Structure, Pseudopotentials, Effective Potentials
Kaynak
Six International Conference Of The Balkan Physical Union
WoS Q Değeri
N/A
Scopus Q Değeri
N/A
Cilt
899
