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    • Variation of diffusivity with the cation radii in molten salts of superionic conductors containing iodine anion: A molecular dynamics study

      Srinivasa R Varanasi S Yashonath

      Volume 124 Issue 1 January 2012 pp 159-166

    • Fulltext

       

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/124/01/0159-0166

    • Keywords

       

      diffusion; superionic conductor; molten salt.

    • Abstract

       

      A molecular dynamics study of the dependence of diffusivity of the cation on ionic radii in molten AgI is reported.We have employed modified Parinello-Rahman-Vashistha interionic pair potential proposed by Shimojo and Kobayashi. Our results suggest that the diffusivity of the cation exhibits an increase followed by a decrease as the ionic radius is increased. Several structural and dynamical properties are reported.

    • Author Affiliations

       

      Srinivasa R Varanasi1 S Yashonath1

      1. Solid Sate and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India

    • Dates

       
      Published
      January 2012

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