The 9th International Conference on Multiscale Materials Modeling

講演情報

Symposium

F. From Microstructure to Properties: Mechanisms, Microstructure, Manufacturing

[SY-F4] Symposium F-4

2018年10月30日(火) 11:15 〜 12:30 Room3

Chair: Dana Zoellner(B CUBE - Center for Molecular Bioengineering, TU Dresden, Germany)

[SY-F4] Coarsening and grain-growth in an SOFC-anode under surface and grain boundary self-diffusion: A Multiphase-field approach

Paul Hoffrogge1, Daniel Schneider1,2, Britta Nestler1,2, Patricia Haremski2,3, Matthias Wieler3, Piero Lupetin3 (1.Karlsruhe University of Applied Sciences, Germany, 2.Karlsruhe Institute of Technology, Germany, 3.Robert Bosch GmbH, Germany)

Solide oxide fuel cells (SOFCs) convert chemical energy stored in form of a gaseous fuel into electrical energy. Due to the typically high energy-conversion efficiencies achieved, SOFCs are a very promising technology to reduce carbon emission. One of the critical parameters to be economically competitive is the lifetime of an SOFC device. In order to improve the SOFCs long-term performance it is essential to obtain a better understanding of the underlying physical processes leading to a decrease in SOFC performance during operation.
The present study focuses on the evolution of a polycrystalline and porous 3D microstructure of an Ni-YSZ (yttria-stabilized zirconia) SOFC-anode during isothermal coarsening. We employ a multiphase-field model which incorporates self-diffusion of nickel by a grand-chemical formulation to simulate grain-boundary and surface diffusion coupled with simultaneous growth of the inherent Ni-grains. We validate the model by 2D thermal-grooving simulations under surface-diffusion and by a quantitative comparison with analytical results. A comprehensive study of several input parameters such as grain-size on the coarsening behavior of the SOFC-anode is performed. The detailed investigation includes an analysis of the microstructure as a function of particle size, tortuosity and triple-phase boundary length.