It is difficult to establish structure-property relationships in a defective solid because of its inhomogeneous-geometry microstructure caused by defects. In the present research, the effects of pores and cracks on the Young’s modulus of a defective solid are studied. Based on the law of the conservation of energy, mathematical formulations are proposed to indicate how the shape, size, and distribution of defects affect the effective Young’s modulus. In this approach, detailed equations are illustrated to represent the shape and size of defects on the effective Young’s modulus. Different from the results obtained from the traditional empirical analyses, mixture law or statistical method, for the first time, our results from the finite element method （FEM） and strict analytical calculation show that the influence of pore radius and crack length on the effective Young’s modulus can be quantified. It is found that the longest crack in a typical microstructure of ceramic coating dominates the contribution of the effective Young’s modulus in the vertical direction of the crack.
Based on defect chemistry theory and molecular dynamics,the defect formation energy and its relationship with the mechanism of pyrochlore-fluorite phase change were investigated,so as to reveal the underlying mechanism of high-temperature stability of pyrochlore zirconates.Results showed that with the rise of the atom mass of A,the defect formation energies decreased that meant the crystal structure tended to become more disordered.Noticeably,the first nearest cation antisite dominated the pyrochlore disorder transformation process.In addition,it was found that the diffusion of oxygen atoms was far higher than that of cations,and was increased with the temperature,thus also promoting the pyrochlore-fluorite transformation process.
