Phase-field modeling of three-phase electrode microstructures in solid oxide fuel cells
نویسندگان
چکیده
منابع مشابه
ReaxFF Reactive Force-Field Modeling of the Triple-Phase Boundary in a Solid Oxide Fuel Cell.
In our study, the Ni/YSZ ReaxFF reactive force field was developed by combining the YSZ and Ni/C/H descriptions. ReaxFF reactive molecular dynamics (RMD) were applied to model chemical reactions, diffusion, and other physicochemical processes at the fuel/Ni/YSZ interface. The ReaxFF RMD simulations were performed on the H2/Ni/YSZ and C4H10/Ni/YSZ triple-phase boundary (TPB) systems at 1250 and ...
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ژورنال
عنوان ژورنال: Applied Physics Letters
سال: 2012
ISSN: 0003-6951,1077-3118
DOI: 10.1063/1.4738230