Abstract
This paper adopted molecular dynamics technique to simulate the nano-scale transport phenomena inside air electrode of the URSOFC. A molecular model consist of 135 atoms has been built as the simulation target. Born-Meyer-Buckingham potential function is used and a perovskite type structure is built. Simulation results demonstrate hopping mechanism of oxygen ions inside air electrode by calculating mean square displacement of oxygen ions. Also, the effect of the operating temperature for the ionic conductivity is able to be predicted by the present study.
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