Loading...
Loading...

Go to the content (press return)

Mass and size dependence of single ion dynamics in molten monohalides

Author
Alcaraz, O.; Trullas, J.
Type of activity
Journal article
Journal
Journal of chemical physics
Date of publication
2000-12
Volume
113
Number
23
First page
10635
Last page
10641
DOI
https://doi.org/10.1063/1.1323978 Open in new window
Repository
http://hdl.handle.net/2117/24493 Open in new window
Abstract
This work is concerned with four molten monohalides with different ionic radii ratios (RbCl, NaI, AgCl, and CuCl) and ideal isotopic systems of these salts with different ionic mass ratios. The velocity autocorrelation functions of the two ionic species in each melt have been studied by both a theoretical approximation and molecular dynamics simulations. It is found that their main features may be qualitatively predicted by considering suitable combinations of the second and fourth frequency mom...
Citation
Alcaraz, O.; Trullas, J. Mass and size dependence of single ion dynamics in molten monohalides. "Journal of chemical physics", Desembre 2000, vol. 113, núm. 23, p. 10635-10641.
Keywords
Backscattering Self diffusion Hydrodynamics Kinematics molecular dynamics
Group of research
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

Participants

Attachments