Liquid structure of some rare-earth metals using an analytic pair potential
Küçük Resim Yok
Tarih
2001
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Natl Inst Optoelectronics
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The analytical Pettifor-Ward (PW) pair potential with the Ashcroft empty core model for the pseudopotential is employed to obtain structural properties of some liquid rare-earth metals. The liquid structure is calculated using the variational modified hypernetted chain (VMHNC) approximation. Recently proposed the modified Harrison model potential (MH) of Karmakar and Joarder has been calculated using the PW pair potentials for s electron contribution for comparison. A good agreement with the experimental data for structural properties has been found. However, VMHNC calculations using MH potential fail to yield reasonable results if one used Karmakar's data set.
Açıklama
Anahtar Kelimeler
Liquid Structure, Effective Pair Potentials, Rare-Earth Metals, 3d Transition-Metals, Thermodynamic Properties, Pseudopotential Theory, Molecular-Dynamics, Alkali-Metals, Model, Chs
Kaynak
Journal Of Optoelectronics And Advanced Materials
WoS Q Değeri
Q4
Scopus Q Değeri
Q4
Cilt
3
Sayı
4
