Abstract
The molecular dynamics simulations are carried out in a liquid AuCs alloy. The electrical conductivities are obtained by using the equilibrium and non-equilibrium molecular dynamics methods, and these results agree well with experimental conductivities. The deviation from the Nernst-Einstein relation Δ is also derived by equilibrium molecular dynamics, using the partial conductivities σ + and σ - , and the self diffusion coefficients D + and D - of cations and anions, respectively. The obtained value of Δ is negative as that of molten AgI, potassium iodine and rubidium halides, which is related to the cross-correlation of ionic motion.
Full Text 
Sign-in/Register to access full text options
Sign-in/Register to access full text options 
Published version (
Free)
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
