Title of article :
Velocity correlation functions and partial conductivities of molten AgI–AgBr by molecular dynamics simulation
Author/Authors :
Matsunaga، نويسنده , , Shigeki and Koishi، نويسنده , , Takahiro and Tamaki، نويسنده , , Shigeru، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2007
Abstract :
Regarding the ionic conductivities, Sundheim proposed the “universal golden rule” by experiments, i.e. the ratio of the partial ionic conductivities in molten binary salt is equal to the inverse mass ratio of the ions, σ+/σ− = m−/m+. In previous work, we have proved this relation by molecular dynamics simulations (MD) and a theory using the Langevin equation. In this study, the pseudo-binary molten salt system (AgI)1−c(AgBr)c is investigated in the same theoretical framework. MD results are also reported in connection with the theoretical analysis.
Keywords :
(AgI)1?c(AgBr)c , Molecular dynamics , Langevin equation , Velocity correlation function , Partial conductivity
Journal title :
MATERIALS SCIENCE & ENGINEERING: A
Journal title :
MATERIALS SCIENCE & ENGINEERING: A