• A computer simulation of LiKSO4

    • Fulltext


        Click here to view fulltext PDF

      Permanent link:

    • Keywords


      Molecular dynamics; computer simulation; lattice dynamics; diffusion; reorientation; LiKSO4; superionic conductor

    • Abstract


      Molecular-dynamics computer-simulation of an ionic molecular solid LiKSO4 has been carried out at 300 and 1000 K using the atom-atom potentials obtained from lattice dynamical studies. We observe hopping of lithium ions to interstitial positions which is related to reorientations of sulphate tetrahedra.

    • Author Affiliations


      S L Chaplot1 K R Rao1

      1. Nuclear Physics Division, Bhabha Atomic Research Centre, Bombay - 400 085, India
    • Dates

  • Bulletin of Materials Science | News

    • Dr Shanti Swarup Bhatnagar for Science and Technology

      Posted on October 12, 2020

      Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
      Chemical Sciences 2020

      Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
      Physical Sciences 2020

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

© 2022-2023 Indian Academy of Sciences, Bengaluru.