Molecular-dynamics study of liquid rubidium
- 1 November 1982
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 26 (5) , 2859-2868
- https://doi.org/10.1103/physreva.26.2859
Abstract
Molecular dynamics has been used to investigate the properties of supercooled liquid states for a model of liquid rubidium. The energy-temperature relation for the reduced density for liquid, amorphous solid, and bcc crystal phases is presented along with the pair-correlation function, the self-diffusion coefficient, and the transverse-current correlation as functions of temperature for the liquid. The self-diffusion coefficient is found to vary with temperature in a way which correlates with the temperature evolution of the pair-correlation function. The power spectra of the transverse-current correlation function are used to determine the minimum length required for the decay of fluctuations to be describable by linearized hydrodynamics. This length grows rapidly as the amount of supercooling increases and becomes significantly larger than the dimensions of the cube to which periodic boundary conditions are applied.
Keywords
This publication has 27 references indexed in Scilit:
- ‘‘Spinodals’’ in the mean field theory of freezingThe Journal of Chemical Physics, 1981
- High-temperature specific heat of crystalsPhysical Review B, 1979
- Interionic potentials in alkali halides and their use in simulations of the molten saltsAdvances in Physics, 1976
- Some multistep methods for use in molecular dynamics calculationsJournal of Computational Physics, 1976
- Density fluctuations in liquid rubidium. II. Molecular-dynamics calculationsPhysical Review A, 1974
- Propagation of Density Fluctuations in Liquid Rubidium: A Molecular-Dynamics StudyPhysical Review Letters, 1974
- Computer simulation studies of the liquid stateComputer Physics Communications, 1973
- Lattice Dynamics of Alkali Metals in the Self-Consistent Screening TheoryPhysical Review B, 1970
- Ensemble Dependence of Fluctuations with Application to Machine ComputationsPhysical Review B, 1967
- Rate of Nucleation in Condensed SystemsThe Journal of Chemical Physics, 1949