Structural properties of liquid K-Te alloys
Küçük Resim Yok
Tarih
2005
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Natl Inst Optoelectronics
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The structure of K-Te liquid alloys at two different stoichiometric compositions was determined using the effective pair potentials based on the modified analytic embedded atom method (MAEAM) with the Variational Modified Hypernetted Chain (VMHNC) liquid state theory. The MAEAM potential functions are fitted to both solid and liquid state properties for only pure liquid metals. A new effective pair potential form based on the MAEAM has been proposed for the best possible structural properties of these alloys, The partial pair correlation functions for the K0.12Te0.88 at T = 723 K and equiatomic KTe at 770 K have been obtained. The results are in reasonably good agreement with experiments and MD results.
Açıklama
2nd International Workshop on Amorphous and Nanostructured Chalcogenides -- JUN 20-24, 2005 -- Sinaia, ROMANIA
Anahtar Kelimeler
Modified Analytic EAM Potentials, Structure, Embedded-Atom Method, Rare-Earth-Metals, Transition-Metals, Molecular-Dynamics, Bcc Metals, Model, Potentials, Simulation, Systems
Kaynak
Journal Of Optoelectronics And Advanced Materials
WoS Q Değeri
Q2
Scopus Q Değeri
Q4
Cilt
7
Sayı
4
