Calculation of partial structure factors of a less-simple binary alloy

M. A. Khaleque, G. M. Bhuiyan, S. Sharmin, R. I M A Rashid, S. M. Mujibur Rahman

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18 Citations (Scopus)

Abstract

The partial static structure factors, using the Faber-Ziman (FZ) theory, have been calculated for Ag-In alloy. For 20% Ag at 623 K and 70% Ag at 973 K, the interionic pair potential based on the Bretonnet-Silbert (BS) formalism are calculated and the hard sphere diameters for the component elements are estimated from the potential profile using the linearised Weeks-Chandler-Andersen (LWCA) method. The average number densities are calculated on the assumption that the atomic volumes are simply additive. The calculated structure factors are compared with the experimental values. The partial structure factors for Ag-Ag at 20% Ag and In-In at 70% Ag appear to be slightly out of phase with the calculated values particularly in large q-region. From the calculations it appears that this discrepancy is related to the process of derivation of the experimental structure factors from the total one, and the Ag-In alloy can be described by a mixture of hard spheres.

Original languageEnglish
Pages (from-to)319-322
Number of pages4
JournalEuropean Physical Journal B
Volume26
Issue number3
DOIs
Publication statusPublished - Apr 1 2002

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Keywords

  • 61.20.-p Structure of liquids
  • 61.25.Mv Liquid metals and alloys

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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