Molecular Dynamics Study for Sintering Characteristics of Solid Oxide Fuel Cell Anode

摘要

The prediction of long-term durability of SOFC anode is important to understand the sintering phenomena in the anode, which are affected by micro structure, materials, and impurities. To understand the sintering phenomena considering the effects of materials and chemical species, molecular dynamics (MD) simulation is one of the most effective computational methods. In this study, we developed a theoretical methodology based on the master sintering curve to analyze the sintering property. We performed MD simulation for the densification of both Ni and YSZ porous structures. The sintering activation energy obtained from our proposed method was in reasonable agreement with the experimental result.