Competition between surficial and volumetric diffusion in sintering TiO2 polymorphs by molecular dynamics simulation

• DOI: 10.1111/jace.20126
• Publication Date: 2024-11-03T11:06:47Z
• Authors: Jiang Li; Haozhen Yang; Deqiang Yin; Wenli Pi

Abstract The competition between surficial and volumetric diffusion during the sintering process for ceramic polymorphism at different temperatures is worth deeply exploring. In current work, various cases of mixed TiO 2 nanoparticles with rutile anatase types were investigated effects crystalline phase, temperature, particle size on systematically investigated. difference in thermodynamic stability activity phase could promote decomposition densification nanoparticles. Comparing mixed‐phase temperatures, results showed that binding low temperature relied mainly diffusion, however, played a crucial role high temperature. internal occurrence inhibited resulting smaller diameter neck rate. case three types, it be found more uniform rate not significantly influenced by This work demonstrates advantage strategy nanoparticles, which provide insight into materials polymorphism.