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Mass and size dependence of single ion dynamics in molten monohalides

Autor
Alcaraz, O.; Trullas, J.
Tipus d'activitat
Article en revista
Revista
Journal of chemical physics
Data de publicació
2000-12
Volum
113
Número
23
Pàgina inicial
10635
Pàgina final
10641
DOI
https://doi.org/10.1063/1.1323978 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/24493 Obrir en finestra nova
Resum
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...
Citació
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.
Paraules clau
Backscattering Self diffusion Hydrodynamics Kinematics molecular dynamics
Grup de recerca
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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