The single step inverse calculations of the effective pair potentials for liquid lithium
Küçük Resim Yok
Tarih
2004
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Natl Inst Optoelectronics
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
It is presented the revised effective pair potentials for liquid lithium extracted from experimental structure data using the inverse method, which is based on the variational modified hypernetted-chain(VMHNC) integral equation theory of liquids. The reliability of the revised potential is supported by a comparison the neutral pseudoatom potential at several thermodynamic states. Although the single-step VMHNC inversion yields acceptable results for the characteristic features of the density dependence of the revised potentials for liquid lithium, the difference in the medium behaviour of the Li potential is a cause of concern. This discrepancy and the limitations of the approximate theories in the inverse calculations have been discussed with the possible improvements.
Açıklama
Anahtar Kelimeler
Liquid Lithium, Inverse Method, Effective Potentials, Variational Modified Hypernetted Chain Theory, Molecular-Dynamics Simulation, Hypernetted-Chain Equation, Rare-Earth-Metals, Alkali-Metals, Bridge Function, Structural Data, Alloys, Thermodynamics, Mixtures, Models
Kaynak
Journal Of Optoelectronics And Advanced Materials
WoS Q Değeri
Q2
Scopus Q Değeri
Q4
Cilt
6
Sayı
3
