|About this Abstract
||2010 TMS Annual Meeting & Exhibition
||Computational Thermodynamics and Kinetics
||Phase field simulations of growth and coarsening of electrocatalyst particles
||Megna Shah, Scott A Barnett, Peter W Voorhees
|On-Site Speaker (Planned)
Catalyst particles are critical to the performance of sensors and fuel cells. One method of forming the particles is to dope the ceramic substrate with the desired catalytic element. Under operating conditions, the dopant will diffuse out of the bulk to form metal electrocatalyst particles on the surface of the ceramic. The performance is directly related to how much surface area is available for catalysis, and therefore it is important to know the stability of the microstructure over time. We employ a phase field model to describe the growth and coarsening of the electrocatalyst particles. A ternary alloy model is used to describe the interactions between vacancies, the metal catalyst and the ceramic substrate. Using this model. it we examine the effects of varying levels of bulk and surface diffusion on the growth and coarsening of the particles. The results of the simulations are compared to experimental results.
||Definite: A CD-only volume