Simulating Microstructural Evolution and Electrical Transport in Ceramic Gas Sensors

An integrated computational approach to microstructural evolution and electrical transport in ceramic gas sensors has been proposed. First, the particle-flow model and the continuum-phase-field method are used to describe the microstructural development during the sintering of a prototype two-dimensional film. Then, the conductivity of the sintering samples is calculated concurrently as the microstructure evolves, using both resistor lattice models and effective medium theory for electrical transport in porous aggregates of lightly sintered particles. This approach, when combined with the modeling of resistivity at the grain–grain contacts as a function of neck geometry, ambient gas concentration and temperature, could facilitate the development and optimization of novel microstructures for advanced ceramic gas sensors.