Predicting Thermomechanical Properties of MgAl2O4 Transparent Ceramic Based on Bond Valence Models

doi:10.15541/jim20210034

Abstract

Abstract:

Spinel-type ceramics have great application prospects owing to their excellent thermomechanical properties in the field of high-temperature structural materials. In this study, a new approach that combined bond valence models with high-temperature mechanical theoretical characterization models was established to predict the high-temperature thermomechanical properties of spinel-type ceramics based on temperature-dependent crystal structure. Further more, the relationship between crystalline structure and high-temperature properties was clarified. The high-temperature fracture strength and fracture toughness of MgAl₂O₄ transparent ceramic, were predicted by this approach, which agreed well with the experimental values. It is shown that the ratio of cation inversion, hardness and bulk modulus of chemical bonds in MgAl₂O₄ vary significantly with temperature around 800 ℃. However, due to coupling effect of the coordinated polyhedra, the temperature-dependent cation inversion can hardly affect the high-temperature thermomechanical properties of MgAl₂O₄ transparent ceramic.

Key words: spinel-type ceramics, magnesium aluminate, transparent ceramic, bond valence models, thermomechanical property, theoretical characterization model

CLC Number:

TQ174

FENG Mingxing, WANG Bin, XU Pengyu, TU Bingtian, WANG Hao. Predicting Thermomechanical Properties of MgAl₂O₄ Transparent Ceramic Based on Bond Valence Models[J]. Journal of Inorganic Materials, 2021, 36(10): 1067-1073.

Figures/Tables 8

Fig. 1 (a) Bulk modulus and (b) hardness of MgAl2O4 under various temperatures (experimental data obtained from the literature[19])BT and BM denote the bulk modulus of bonds in tetrahedra and octahedra, respectively; B is the bulk modulus of MgAl2O4 crystal; HT and HM represent the hardness of bonds in tetrahedra and octahedra, respectively; H is the hardness of MgAl2O4 crystal

Fig. 2 Temperature dependence of Young’s modulus of MgAl2O4 (experimental data obtained from literature[16,20])

Fig. 3 Predicted value of the heat capacity of MgAl2O4 (experimental data obtained from literature[22,23,24])

Fig. 4 Comparison of prediction with experimental data (a) of Ghosh, et al[17], (b) Boniecki, et al[18] of the temperature dependent fracture strengths of MgAl2O4

Fig. 5 Comparison of prediction with experimental data of temperature dependent fracture toughnesses of MgAl2O4[16-18,27]

Fig. 6 Temperature dependence of (a) inversion parameter, (b) anion parameter, (c) lattice constant, and (d) averaged bond length for MgAl2O4[12,25,29] RT and RM denote the bond length in tetrahedra and octahedra, respectively (1 Å=0.1 nm)

Fig. 7 Ratio of bond valence to bond length of MgAl2O4 under various temperatures $S _{Ave}^{T}/ R_{T}$ and $ S _{Ave}^{M}/ R_{M}$ represent the ratio of bond valence to bond length in tetrahedra and octahedra, respectively

Table 1 Chemical bond properties of MgAl2O4

	S_ij/(v.u.)	$\frac{\mathrm{d} R}{\mathrm{~d} T} /\left(\times 10^{-7}, \mathrm{~nm} /{ }^{\circ} \mathrm{C}\right)$	R₀
[Mg-O]^T	0.54	13	1.693
[Al-O]^T	0.49	16	1.651
[Mg-O]^M	0.53	14	1.693
[Al-O]^M	0.47	17	1.651

References 30

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Predicting Thermomechanical Properties of MgAl₂O₄ Transparent Ceramic Based on Bond Valence Models

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