Static and dynamic structure of liquid GaSb using the modified embedded atom method (MAEAM) potentials
Küçük Resim Yok
Tarih
2007
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Natl Inst Optoelectronics
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Using the effective potentials derived from the modified analytic Embedded Atom Method (MAEAM) in conjunction with the Variational Hypenetted Chain (VMHNC) liquid state theory, we have investigated the structure and atomic dynamics of liquid GaSb alloy near and above the melting point. The effective pair potentials have constructed from the MAEAM potential functions which are parameterized by fitting to both solid and liquid state properties of pure metals. The calculated partial pair correlation functions and static structure factors of liquid GaSb alloy near its melting have compared with experiment and the results of MD studies. The total structure factors of molten GaSb have computed at three different temperatures. The overall agreement has been found in reported works. The dynamical properties evaluated within the framework of the mode-coupling theory, using a self-consistent scheme have been also presented. The single-particle dynamics of the system has been analyzed by computing the mean square displacement (MSD) and velocity autocorrelation function (VACF). Temperature dependence of self diffusion coefficient and shear viscosity have also been shown. The collective
Açıklama
3rd International Conference on Amorphous and Nanostructured Chalcogenides -- JUL 02-06, 2007 -- Brasov, ROMANIA
Anahtar Kelimeler
Liquid Gasb Alloy, Static And Dynamic Structural Properties, Alkaline-Earth Metals, Transition-Metals, Thermodynamic Properties, Alloys, Model, Insb, Formalism, Viscosity, Systems, Fcc
Kaynak
Journal Of Optoelectronics And Advanced Materials
WoS Q Değeri
Q3
Scopus Q Değeri
Q4
Cilt
9
Sayı
10
