Computer Simulation of Ionic Conductivity Application to Glassy Solid Electrolytes by Monte-Carlo Method

Monte Carlo 방법에 의한 유리 고체전해질의 이온전도도에 관한 전산 모사

  • 최진삼 (경상대학교 무기재료공학과) ;
  • 서양곤 (경상대학교 화학공학과) ;
  • 강은태 (경상대학교 무기재료공학과)
  • Published : 1994.03.01


The ionic conductivity in glassy systems were calculated as functions of temperature and ion concentration using Monte-Carol method considering interaction between neighbouring ion-site occupancies, {{{{ rho }}'s. Also the vacancy availability factor, V, the effective jump frequency factor, W, and the charge correlation factor, fc, have been investigated. The Arrhenius plot could be obtained from the ln {{{{ sigma }}T vs. 1/T* plots and was in exellent agreement with the experimental observations. The effects of the various types of potential well on the ionic conductivity have been considered. The activation energy Eg for ion motion in the glass was 1.3│ε│from the ln {{{{ sigma }}T vs. 1/T* plots.



  1. 요업학회지 v.30 Li₂O-B₂O₃-P₂O5계 유리의 이온전도성 박강석
  2. J. Non-Cryst. Solids v.38;39 Glasses as Solid Electrolytes D.Ravain
  3. Phil.Mag. v.36 Computer Simulation of Ionic Conductivity Application to β"-alumina G.E.Murch;R.J.Thorn
  4. J. Chem. Phys. v.21 Equation of State Calculations by Fast Computing Machines N. Metropolis;A.W. Rosenbluth;M.N. Rosenbluth;A.H. Teller;E. Teller
  5. Diffusion Correlation Effects in Non-Stoichiometric Solids v.27 H.J. de Bruin;G.E. Murch
  6. Solid State Ion v.9;10 Superdefects in Na β"-alumina:Computer Simulation of Ionic Conductivity and Conduction Mechanisms A. Pechenik;D.H. Whitmore;M.A. Ratner
  7. Am. Rev. Mat. Sci. v.11 Ionic Transport in Amorphous Solid Electrolytes J.L. Souquet
  8. Phil. Mag. v.36 A Monte Carlo Study of Sodium Diffusion in β-alumina G.E. Murch;R.J. Thorn
  9. Solid State Ion, v.5 Study of β-and β"-aluminas by means of Potential Energy Calculations J.C. Wang;J.B. Bates;N.J. Dudney;H. Engstrom
  10. Phil.Mag. v.35 Computer Simulation of Sodium Diffusion in β"-alumina G.E.Murch;R.J.Thorn
  11. Ph. D. Thesis A.Pechenik
  12. Phys. Rev. v.B23 Stoichiometry-dependent Conductivity in Framework Ionic Conductivity S.H. Jacobson;M.A. Ratner;A Nitzan
  13. J.Non-Cryst.Solids v.49 Molecular Dynamic Calculations of Glass Structure and Diftusion in Glass T.F. Soules
  14. J. Chem. Phys v.55 Cation Diffusion and Conductivity in Solid Electrolytes Ⅰ H. Sato;R. Kikuchi
  15. J. Non-Cryst. Solids v.40 Fast Ion Transport in Oxide Glasses H.L.Tuller;D.P.Button;D.R.Uhlmann