References
- Gillan , M. J. 1986 . Collective dynamics in super-ionic CaF2.1. Simulation compared with neutron-scattering experiment . J. Phys. C: Solid State Phys. , 19 : 3391
- Gillan , M. J. 1986 . Collective dynamics in super-ionic CaF2.2. defect interpretation . J. Phys. C: Solid State Phys. , 19 : 3517
- Sangster , M. J. and Dixon , M. 1976 . Interionic potentials in alkali halides and their use in simulations of the molten salts . Adv. Phys. , 25 : 247
- Gillan , M. J. 1989 . The computer simulation of uranium dioxide . Mol. Sim. , 3 : 7033
- Meyer , M. and Pontikis , V. , eds. 1991 . Computer Simulation in Materials Science. , Kluwer Academic Publishers .
- Lyddane , R. H. , Sachs , R. G. and Teller , E. 1941 . On the polar vibrations of alkali halides . Phys. Rev. , 59 : 673
- Lindan , P. J.D. and Gillan , M. J. 1994 . The dynamical simulation of superionic UO2 using shell-model potentials . Phil. Mag. B , 69 : 535
- Dick , B. G. and Overhauser , A. W. 1958 . The theory of the dielectric constants of alkali-halide crystals . Phys. Rev. , 112 : 90
- Tharmalingam , K. 1971 . A theoretical study of the energies of formation of point defects . Phil. Mag. , 23 : 181
- Catlow , C. R.A. and Mackrodt , W. C. , eds. 1982 . Computer Simulation of Solids. , Berlin : Springer-Verlag .
- Gillan , M. J. 1993 . “ Can we trust the shell-model? ” . In Information quarterly for computer simulation of condensed phases, (CCP5) , SERC Daresbury Laboratory .
- Jacucci , G. , McDonald , I. R. and Rahman , A. 1976 . Effects of polarisation on equilibrium and dynamic properties of ionic systems . Phys. Rev. A , 13 : 1581
- O'Sullivan , K. F. and Madden , P. A. 1991 . Light-scattering by alkali-halides melts–-a comparison of shell model and rigid-ion computer-simulation results . J. Phys.: Condens. Matter , 3 : 8751
- Sprik , M. 1991 . Computer simulation of the dynamics of induced polarization fluctuations in water . J. Phys. Chem. , 95 : 2283
- Sprik , M. 1993 . Computer Simulation in Chemical Physics , Edited by: Allen , M. P. and Tildesley , D. J. Beriin : Kluwer .
- Wilson , M. and Madden , P. A. 1993 . Polarization effects in ionic systems from 1st principles . J. Phys.: Condens. Matter , 5 : 2687
- Mitchell , P. J. and Fincham , David . 1993 . Shell-model simulations by adiabatic dynamics . J. Phys.: Condens. Matter , 5 : 1031
- Jackson , R. A. , Murray , A. D. , Harding , J. H. and Catlow , C. R.A. 1986 . The calculation of defect parameters in UO2 . Phil. Mag. A , 53 : 27
- Sindzingre , P. and Gillan , M. J. 1988 . A Molecular dynamics study of solid and liquid UO2 . J. Phys. C: Solid State Phys. , 21 : 4017
- Lindan , P. J.D. , Harding , J. H. and Pyper , N. C. 1994 . The Cohesion of thorium-dioxide . J. Phys. Condens. Matter , 6 : 6485
- Lindan , P. J.D. and Gillan , M. J. 1993 . Shell-model molecular-dynamics simulation of superionic conduction in CAF2 . J. Phys.: Condens. Matter , 5 : 1019
- Ackermann , R. J. , Thorn , R. J. and Winslow , G. H. 1959 . Visible and ultra-violet absorbtion properties of uranium-dioxide thin films . J. Opt. Soc. Am. , 49 : 1107
- Lindan , P. J.D. and Gillan , M. J. 1991 . A molecular-dynamics study of the thermal-conductivity of CaF2 and UO2 . J. Phys.: Condens. Matter , 3 : 3929
- Clausen , K. , Hayes , W. , MacDonald , J. E. , Osborn , R. and Hutchings , M. T. 1984 . Observation of oxygen Frenkel disorder in uranium-dioxide above 2000-K by use of neutron-scattering techniques . Phys. Rev. Lett. , 52 : 1238
- Hutchings , M. T. 1987 . J. Chem. Soc. Faraday Trans. , 83 ( 2 ) : 1083
- Frenkel , D. 1991 . “ Lecture notes on Free Energy calculations ” . In Computer Simulation in Materials Science. , Edited by: Meyer , M. and Pontikis , V. 3 – 20 . Kluwer Academic Publishers .
- Allen , M. P. and Tildesley , D. J. 1987 . Computer Simulation of Liquids. , Oxford : Clarendon Press .
- Philpot , S. R. , Yip , S. and Wolf , D. 1989 . “ How do crystals melt? ” . In Computers in Physics. Nov./Dec.
- Heyes , D. M. 1984 . Molecular-dynamics of ionic solid and liquid surfaces . Phys. Rev. B , 30 ( 4 ) : 2182
- Tasker , P. W. 1984 . “ Computer simulation of ionic crystal surfaces ” . In Computer Simulation of Solid , Edited by: Catlow , C. R.A. and Mackrodt , W. C. Berlin : Springer-Verlag .