The Physics of Superionic Conductors and Electrode Materials

1. Front Matter

   Pages i-viii

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2. Introduction

   • John W. Perram

   Pages 1-3

3. Relations between Crystal Structures and Ionic Conductivity

   • Heinz Schulz

   Pages 5-26

4. Thermodynamic and Transport Properties of Superionic Conductors and Electrode Materials

   • J. H. Harding

   Pages 27-40

5. Evaluation and Meaning of Ionic and Dipolar Lattice Sums

   • Edgar R. Smith, John W. Perram

   Pages 41-55

6. Evaluation of Lattice Sums in Disordered Ionic Systems

   • Edgar R. Smith, John W. Perram

   Pages 57-78

7. On the Crystalline, Liquid, Glassy, Gaseous, and Superfluid States of Simple Substances

   • R. M. J. Cotterill

   Pages 79-92

8. Molecular Dynamics Studies of Superionic Conductors

   • A. Rahman, P. Vashishta

   Pages 93-142

9. Some Applications of Conditionally Convergent Lattice Sums

   • Edgar R. Smith, John W. Perram

   Pages 143-162

10. Boundary Conditions in the Simulation of Ionic Systems

    • S. W. de Leeuw

    Pages 163-176

11. Introduction to Monte Carlo Simulation Techniques

    • David Adams

    Pages 177-195

12. The Calculation of Free Energies Using Computer Simulation

    • N. Quirke

    Pages 197-210

13. Monte Carlo Study of Solid Electrolytes

    • Y. Hiwatari, A. Ueda

    Pages 211-219

14. Molecular Dynamics with Constraints

    • H. J. C. Berendsen, W. F. van Gunsteren

    Pages 221-240

15. Stochastic Dynamics of Polymers

    • W. F. van Gunsteren, H. J. C. Berendsen

    Pages 241-256

16. Application of Irreversible Thermodynamics to Mass Transport in Ionic Conductors

    • Frederick H. Horne

    Pages 257-271

17. Ion Transport Boundary Conditions

    • Frederick H. Horne, John H. Leckey, John W. Perram

    Pages 273-277

18. Back Matter

    Pages 279-281

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The following chapters present most of the lectures delivered at the NATO Advanced Studies Institute on "The Physics of Super­ ionic Conductors and Electrode Materials", held at Odense Univer­ sity's Mathematics Department between the 4th and 22nd of August, 1980. The aim of the organizing committee was to present in a rather detailed fashion the most recent advances in the computa­ tional mathematics and physics of condensed matter physics and to see how these advances could be applied to the study of ionically conducting solids. The first half of the meeting was mainly taken up with lectures. In the second week, working groups on the various aspects were set up, the students joining these groups being helped in the implementation of the lecture material. The leaders of these groups deserve special mention for the tremendous effort they put into this aspect of the meeting, particularly: Dr. Aneesur Rahman (Molecular Dynamics group) Dr. Fred Horne (Ion Transport group) Drs. Nick Quirke and David Adams (Monte Carlo methods) Dr. Heinz Schulz (Diffraction group) Dr. John Harding (Defect Calculations group) The Molecular Dynamics group achieved a certain amount of notoriety within the University by appearing to live in the terminal room.

• Monte Carlo method
• condensed matter
• condensed matter physics
• crystal
• crystal structure
• diffraction
• dynamics
• ion transport
• mathematics
• physics
• polymer
• transport

• Odense University, Odense, Denmark

  John W. Perram

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