Thermodynamics and structure of simple liquid metals calculated using an analytic pair potential
Küçük Resim Yok
Tarih
1998
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The analytic interatomic pair potential for simple metals is derived from first principles using second order pseudopotential theory by Pettifor and Ward . It is developed using the Heine-Abarenkov pseudopotential for simple metals and applied to the calculations of the structural and thermodynamic properties of liquid metals. The corresponding liquid metal structure is calculated using the random phase approximation and the hypernetted-chain formulation. The long-wavelength limit S(0) of the structure factor of liquid metals using the hard-sphere system as reference is also investigated. The calculated thermodynamic and structural properties using the real space formalism are in better agreement with experimental results than the results of earlier calculations using the same approach.
Açıklama
Anahtar Kelimeler
Calculations; Functions; Phase Transitions; Polynomials; Thermodynamic Properties; Thermodynamics; Analytic Pair Potential; Hypernetted Chain Formulation; Random Phase Approximation; Liquid Metals
Kaynak
Turkish Journal of Physics
WoS Q Değeri
Scopus Q Değeri
Q3
Cilt
22
Sayı
1
