Effective Pair Potentials of Liquid CuBr Estimated from the Anomalous X-Ray Scattering Data.

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  • Omote Kazuhiko
    Institute for Advanced Materials Processing, Tohoku University, Sendai 980–77
  • Saito Masatoshi
    Institute for Advanced Materials Processing, Tohoku University, Sendai 980–77
  • Waseda Yoshio
    Institute for Advanced Materials Processing, Tohoku University, Sendai 980–77

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  • Effective Pair Potentials of Liquid CuB

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We have proposed a method for calculating the effective pair potentials of molten salt from measured structural data in which a long-range Coulombic interaction is important [K. Omote and Y. Waseda: J. Phys. Soc. Jpn. 66 (1997)]. By applying this method, the effective pair potentials of liquid CuBr have been successfully estimated from the experimental partial structure factors obtained by anomalous X-ray scattering. The resultant potentials show two characteristic features. One is remarkable shielding for the Cu--Cu Coulomb repulsion in its nearest neighbor region. This might be a possible origin for the absence of marked structure in the Cu--Cu correlation and the penetration of Cu ions into the first like-ion coordination shell. The other is the deviation from the Coulomb potential in the range of 0.4-- 0.9 ,nm in the interactions of Cu--Cu and Cu--Br pairs, suggesting a certain correlation to a pre-peak found in the Cu--Cu structure factor at about 10 ,nm-1.

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