Moleular Dynamics Study for Sintering Property Analysis of Ni-YSZ Cermet | Zendy

Kazuhide Nakao | Zendy; Haruhiko Kohno | Zendy; Takayoshi Ishimoto | Zendy; Michihisa Koyama | Zendy

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Moleular Dynamics Study for Sintering Property Analysis of Ni-YSZ Cermet

Author(s) -

Kazuhide Nakao,

Haruhiko Kohno,

Takayoshi Ishimoto,

Michihisa Koyama

Publication year - 2013

Publication title -

ecs transactions

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.235

H-Index - 52

eISSN - 1938-6737

pISSN - 1938-5862

DOI - 10.1149/05701.1407ecst

Subject(s) - sintering , materials science , activation energy , molecular dynamics , porosity , diffusion , yttria stabilized zirconia , cermet , surface diffusion , impurity , metallurgy , composite material , cubic zirconia , thermodynamics , ceramic , computational chemistry , chemistry , physics , organic chemistry , adsorption

Microstructural change of porous electrodes in SOFC caused by sintering affected by materials and impurities is one of the main factors of the long-term degradation. Since it is difficult to clarify the effects of materials and impurities on sintering by experiments, atomistic scale simulation is important. In this study, we performed molecular dynamics (MD) simulation of porous structure of Ni and analyzed sintering properties of porous structure by employing master sintering curve theory. We have succeeded to obtain the sintering activation energy and its size dependency and to identify the dominant sintering mechanism by comparing sintering activation energy with activation energy of surface diffusion on each facet.

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