Elucidating the Firing Mechanisms of Ceramics in Guizhou Province via Interfacial Electronic and Mechanical Properties

Ceramics, as a handicraft, is the crystallization of art and science. In order to study the firing process of ceramics, improve their density, mechanical properties, viscosity, and surface tension, and enhance the surface quality of the shaft, this article uses first-principles methods to study the electronic properties of ceramic colorants Al2O3, Fe2O3, TiO2, CaO, MgO, Na2O, KO2, and ceramic body SiO2. Research has shown that these seven color-developing agents exhibit anisotropy and have stable crystal structures. The bandgap values of Al2O3, CaO, Fe2O3, KO2, MgO, Na2O, TiO2, and ceramic SiO2 are 6.325 eV, 3.654 eV, 0 eV, 0 eV, 4.731 eV, 1.972 eV, 2.18 eV and 6.002 eV, respectively. In Al2O3/SiO2, Fe2O3/SiO2, TiO2/SiO2, CaO/SiO2, MgO/SiO2, Na2O/SiO2, and KO2/SiO2 systems, due to the influence of the potential field in the SiO2 system, the charge characteristics exhibit obvious interfacial and non-periodic characteristics. The research results revealed the charge transfer and distribution patterns at the interface between ceramic colorants and ceramic ligands, elucidating the influence mechanism of different colorants/embryo components on firing temperature, shrinkage rate, and finished product defects. This mechanism can be used to predict the advantages and disadvantages of alkali metals, iron, titanium, and aluminum components in raw materials, optimize low-temperature rapid firing formulas, suppress firing deformation, control pore defects, and improve the mechanical properties of finished products. It provides micro theoretical support for the industrialization, stabilization, and high-quality production of local ceramics in southwestern China.