著者

丁 瑩娜 イスカンダル アルベルト 梅野 宜崇

出版者

一般社団法人 日本機械学会

雑誌

計算力学講演会講演論文集

巻号頁・発行日

vol.2015, pp._261-1_-_261-2_, 2015

---

The sintering of nickel in the nickel and yttria-stabilized zirconia (YSZ) anode of a solid oxide full cell (SOFC) is investigated by molecular dynamics (MD) simulation. Low values of the work of separation (up to 500 mJ/m^2) between nickel and YSZ allows sliding of nickel nanoparticles. The sliding is significantly hindered when the work of separation increases up to 2500 mJ/m^2, which implies that the Ni surface diffusion and Ni(OH)_2 vaporization-deposition are supposed to be the main sintering mechanisms. Our MD simulations employing the reactive force field (ReaxFF) method indicate the possibility of the Ni(OH)_2 vaporization-deposition.