Calculations of atomic dynamics in simple liquid metals
Küçük Resim Yok
Tarih
2005
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Natl Inst Optoelectronics
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
We present several dynamical properties of liquid Li, Rb, and Cs near their melting points. They have been evaluated within the framework of the mode-coupling theory, using a self-consistent scheme that uses as input data only the static structure functions and the interatomic pair potantials of the simple liquid metals. In this work we have used the interatomic pair potential which is derived from second order perturbation theory with Fiolhais electron-ion pseudopotential. We carried out theoretical results to compute single-particle and collective time-dependent properties of liquid metals, and thereby to calculate their self diffusion constants. We have discussed our results in comparison with both experiment and molecular dynamics simulation.
Açıklama
2nd International Workshop on Amorphous and Nanostructured Chalcogenides -- JUN 20-24, 2005 -- Sinaia, ROMANIA
Anahtar Kelimeler
Simple Liquid Metals, Dynamics Properties, Self-Diffusion, Rare-Earth-Metals, Melting-Point, Density-Fluctuations, Microscopic Dynamics, Supercooled Liquids, Pair Potentials, Alkali-Metals, Lithium, Rubidium, Sodium
Kaynak
Journal Of Optoelectronics And Advanced Materials
WoS Q Değeri
Q2
Scopus Q Değeri
Q4
Cilt
7
Sayı
4
