Grain orientation and shape evolution of ferroelectric ceramic thick films simulated by phase-field method

Area of Science:

• Materials Science
• Ceramics Engineering
• Computational Materials Science

Background:

• Grain orientation and shape are critical microstructural features in ceramics.
• These aspects have been historically overlooked, limiting understanding of sintering processes.
• Grain boundary energy anisotropy is a key factor influencing microstructure evolution.

Purpose of the Study:

• To develop a modified phase-field model to simulate grain boundary energy anisotropy.
• To investigate the impact of this anisotropy on grain orientation and shape.
• To correlate experimental observations with simulation results for quantitative analysis.

Main Methods:

• Development of a modified phase-field model incorporating anisotropic grain boundary energy.
• Simulation of grain evolution under anisotropic conditions.
• Experimental preparation of ferroelectric ceramic thick films via tape casting.
• Comparison of simulation predictions with experimental microstructural data.

Main Results:

• The developed model successfully captures the effects of grain boundary energy anisotropy.
• Simulations and experiments reveal that anisotropy leads to uneven grain orientation.
• A bimodal grain size distribution is observed as a consequence of anisotropy.
• Quantitative analysis establishes a relationship between microstructure and the degree of anisotropy.

Conclusions:

• Grain boundary energy anisotropy is a crucial parameter in controlling ceramic microstructure.
• The modified phase-field model provides a valuable tool for understanding and predicting ceramic behavior.
• This work offers a novel method to assess anisotropy by analyzing SEM images of ceramic microstructures.