Three-Phase Solid Oxide Fuel Cell Anode Microstructure Realization Using Two-Point Correlation Functions

Journal Article · Sat Jan 01 04:00:00 EST 2011 · Acta materialia, 59:30-43

DOI:https://doi.org/10.1016/j.actamat.2010.08.012· OSTI ID:1024529

Baniassadi, Majid; Garmestani, Hamid; Li, Dongsheng; Ahzi, Said; Khaleel, Mohammad A; Sun, Xin

A Monte Carlo methodology is developed as a means for three-dimensional (3D) reconstruction of the microstructure of a three-phase anode used in solid oxide fuel cells, based on two-point statistical functions. The salient feature of the presented reconstruction methodology is the ability to realize the 3D microstructure from its 2D SEM image for a three-phase medium extendable to n-phase media. In the realization procedure, different phases of the heterogeneous medium are represented by different cells which are allowed to grow. The growth of cells, however, are controlled via several optimization parameters related to rotation, shrinkage, translation, distribution and growth rates of the cells. Indeed, the proposed realization algorithm can be categorized as a member of dynamic programming methods and is designed so comprehensive that can realize any desired microstructure. To be more specific, at first the initial 2D image is successfully reconstructed and then the final optimization parameters are used as the initial values for the initiation of the 3D reconstruction algorithm. This paper presents a novel hybrid stochastic methodology based on the colony and kinetic algorithm for the simulation of the virtual microstructure. The simulation procedure involves repeated realizations where each realization in turn consists of nucleation and growth of cells. For each of the subsequent realizations, the controlling parameters get updated by minimization of an objective function at the end of the preceding realization. Here, the objective function is defined based on the two-point correlation functions from the simulated and real microstructures. The kinetic growth algorithm is established on the cellular automata approach which facilitates the simulation procedure. Comparison of the two-point correlation functions from different sections of the final 3D reconstructed microstructure with the initial real microstructure shows a satisfactory agreement which confirms the proposed methodology.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1024529
• Report Number(s): PNNL-SA-72896; AA2530000
• Journal Information: Acta materialia, 59:30-43, Journal Name: Acta materialia, 59:30-43 Journal Issue: 1 Vol. 59; ISSN 1359-6454; ISSN ACMAFD
• Country of Publication: United States
• Language: English

Related Subjects

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES
30 DIRECT ENERGY CONVERSION
ALGORITHMS
ANODES
CORRELATION FUNCTIONS
DISTRIBUTION
DYNAMIC PROGRAMMING
KINETICS
MICROSTRUCTURE
MINIMIZATION
NUCLEATION
OPTIMIZATION
ROTATION
SHRINKAGE
SIMULATION
SOLID OXIDE FUEL CELLS
Solid Oxide Fuel Cell
Heterogeneous Media
3D Microstructure Reconstruction
Tow-point Correlation Functions
Cellular Automata
Monte Carlo Simulations