A comparison of the structure and some dynamical properties of molten rubidium halides
- 28 September 1976
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 9 (18) , 3381-3390
- https://doi.org/10.1088/0022-3719/9/18/007
Abstract
A set of central interionic potentials for the rubidium halides is presented. These potentials, which are based on a shell-model description, are fitted to solid state data and are used in molecular dynamics simulations of the ionic melts. The partial radial distribution functions, the velocity autocorrelation functions and the mean square displacements of the ions are calculated.Keywords
This publication has 14 references indexed in Scilit:
- Density fluctuations in molten salts. II. Molecular dynamics study of liquid RbBrPhysical Review A, 1976
- Effects of polarization on equilibrium and dynamic properties of ionic systemsPhysical Review A, 1976
- Effects of polarization on some static and dynamic properties of molten NaIJournal of Physics C: Solid State Physics, 1976
- The structure of molten NaCl from a simulation model which allows for the polarization of both ionsJournal of Physics C: Solid State Physics, 1976
- The structure of molten sodium chlorideJournal of Physics C: Solid State Physics, 1975
- Simulation of molten NaI including polarization effectsJournal of Physics C: Solid State Physics, 1975
- Third-Order Elastic Constants of Alkali Halide CrystalsPhysical Review B, 1965
- Ionic sizes and born repulsive parameters in the NaCl-type alkali halides—IIJournal of Physics and Chemistry of Solids, 1964
- Dispersion and Polarizability and the van der Waals Potential in the Alkali HalidesThe Journal of Chemical Physics, 1933
- THE INFLUENCE OF RELATIVE IONIC SIZES ON THE PROPERTIES OF IONIC COMPOUNDSJournal of the American Chemical Society, 1928