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

[1]	LI WEIGUO, YANG FAN, FANG DAINING. The temperature- dependent fracture strength model for ultra-high temperature ceramics. Acta Mechanica Sinica, 2010, 26(2):235-239. DOI URL
[2]	CHENG TIANBAO, LI WEIGUO. The temperature-dependent ideal tensile strength of ZrB₂, HfB₂, and TiB₂. Journal of the American Ceramic Society, 2015, 98(1):190-196. DOI URL
[3]	WANG RUZHUAN, LI WEIGUO, LI DINGYU, et al. A new temperature dependent fracture strength model for the ZrB₂-SiC composites. Journal of the European Ceramic Society, 2015, 35(10):2957-2962. DOI URL
[4]	DENG YONG, LI WEIGUO, SHAO JIXING, et al. A novel theoretical model to predict the temperature-dependent fracture strength of ceramic materials. Journal of the European Ceramic Society, 2017, 37(15):5071-5077. DOI URL
[5]	WANG HAOMIN, HUANG ZHANGYI, QI JIANQI, et al. A new methodology to obtain the fracture toughness of YAG transparent ceramics. Journal of Advanced Ceramics, 2019, 8(3):418-426. DOI URL
[6]	ZERR A, RIEDEL R, SEKINE T, et al. Recent advances in new hard high-pressure nitrides. Advanced Materials, 2006, 18(22):2933-2948. DOI URL
[7]	GOLDSTEIN A, KRELL A. Transparent ceramics at 50: progress made and further prospects. Journal of the American Ceramic Society, 2016, 99(10):3173-3197. DOI URL
[8]	BROWN I D. Recent developments in the methods and applications of the bond valence model. Chemical Reviews, 2009, 109(12):6858-6919. DOI URL
[9]	LIU XIAO, WANG HAO, LAVINA B, et al. Chemical composition, crystal structure, and their relationships with the intrinsic properties of spinel-type crystals based on bond valences. Inorganic Chemistry, 2014, 53(12):5986-5992. DOI URL
[10]	LIU XIAO, WANG HAO, WANG WEIMIN, et al. Simple method for the hardness estimation of inorganic crystals by the bond valence model. Inorganic Chemistry, 2016, 55(21):11089-11095.
[11]	BROWN I D, DABKOWSKI A, MCCLEARY A. Thermal expansion of chemical bonds. Acta Crystallographica Section B: Structural Science, 1997, 53(5):750-761. DOI URL
[12]	REDFERN S A, HARRISON R J, O’NEILL H S C, et al. Thermodynamics and kinetics of cation ordering in MgAl₂O₄ spinel up to 1600 ℃ from in situ neutron diffraction. American Mineralogist, 1999, 84(3):299-310. DOI URL
[13]	MICHAEL B. Handbook of Optics: Volume IV-Optical Properties of Materials, Nonlinear Optics, Quantum Optics, 3rd. New York: McGraw-Hill Education, 2010: 118-120.
[14]	SHORNIKOV S. Thermodynamic properties of spinel MgAl₂O₄: a mass spectrometric study. Russian Journal of Physical Chemistry, 2017, 91(1):287-294. DOI URL
[15]	MECHOLSKY J J, FREIMAM S W, RICE R W. Fracture surface analysis of ceramics. Journal of Materials Science, 1976, 11(7):1310-1319. DOI URL
[16]	STEWART R L, BRADT R C. Fracture of polycrystalline MgAl₂O₄. Journal of the American Ceramic Society, 1980, 63(11):619-623. DOI URL
[17]	GHOSH A, WHITE K W, JENKINS M G, et al. Fracture-resistance of a transparent magnesium aluminate spinel. Journal of the American Ceramic Society, 1991, 74(7):1624-1630. DOI URL
[18]	BONIECKI M, LIBRANT Z, SADOWSKI T, et al. The Thermal Shock Resistance and Mechanical Properties at Elevated Temperature of Transparent Ceramics. in: ÖCHSNER A, DA SILVA L F M, ALTENBACH H. Materials with Complex Behaviour II: Properties, Non-Classical Materials and New Technologies. Berlin, Heidelberg: Springer, 2012: 307-321.
[19]	CYNN H, ANDERSON O L, NICOL M. Effects of cation disordering in a natural MgAl₂O₄ spinel observed by rectangular parallelepiped ultrasonic resonance and Raman measurements. Pure and Applied Geophysics, 1993, 141(2):415-444. DOI URL
[20]	WHITE K W, KELKAR G P. Fracture mechanisms of a coarse- grained, transparent MgAl₂O₄ at elevated temperatures. Journal of the American Ceramic Society, 1992, 75(12):3440-3444. DOI URL
[21]	BRADT R C. Fracture of single crystal MgAl₂O₄. Journal of Materials Science, 1980, 15(1):67-72. DOI URL
[22]	RICHET P, FIQUET G. High-temperature heat capacity and premelting of minerals in the system MgO-CaO-Al₂O₃-SiO₂. Journal of Geophysical Research Solid Earth, 1991, 96(1):445-456.
[23]	LANDA Y A, NAUMOVA I A. Determining the enthalpy and specific heat of magnesia spinels in the range 1400-2200 K. Refractories, 1979, 20(5):335-337. DOI URL
[24]	BONNICKSON K R. High temperature heat contents of aluminates of calcium and magnesium. The Journal of Physical Chemistry, 1955, 59(3):220-221. DOI URL
[25]	CARBONIN S, MARTIGNAGO F, MENEGAZZO G, et al. X-ray single-crystal study of spinels: in situ heating. Physics and Chemistry of Minerals, 2002, 29(8):503-514. DOI URL
[26]	HALLSTEDT B. Thermodynamic assessment of the system MgO-Al₂O₃. Journal of the American Ceramic Society, 1992, 75(6):1497-1507. DOI URL
[27]	SAKAI M, BRADT R C, KOBAYASHI A S. The toughness of polycrystalline MgAl₂O₄. Journal of the Ceramic Society of Japan, 1988, 96(5):525-531. DOI URL
[28]	BAUDIN C, MARTINEZ R, PENA P. High-temperature mechanical behavior of stoichiometric magnesium spinel. Journal of the American Ceramic Society, 1995, 78(7):1857-1862. DOI URL
[29]	MAEKAWA H, KATO S, KAWAMURA K, et al. Cation mixing in natural MgAl₂O₄ spinel: a high-temperature²⁷Al NMR study. American Mineralogist, 1997, 82(11):1125-1132. DOI URL
[30]	REN LU, WANG HAO, TU BINGTIAN, et al. Theoretical study on composition- and pressure-dependent mechanical properties of AlON solid solution. Journal of the American Ceramic Society, 2020, 103(8):4390-4401. DOI URL

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

RichHTML

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

Figures/Tables 8

References 30

Related Articles 15

Recommended Articles

Metrics

Comments

[1]	LÜ Zhaoyang, XU Yong, YANG Jiuyan, TU Guangsheng, TU Bingtian, WANG Hao. Effect of MgF₂ Additive on Preparation and Optical Properties of MgAl_1.9Ga_0.1O₄ Transparent Ceramics [J]. Journal of Inorganic Materials, 2024, 39(5): 531-538.
[2]	JIN Xihai, DONG Manjiang, KAN Yanmei, LIANG Bo, DONG Shaoming. Fabrication of Transparent AlON by Gel Casting and Pressureless Sintering [J]. Journal of Inorganic Materials, 2023, 38(2): 193-198.
[3]	WANG Dewen, WANG Junping, YUAN Houcheng, LIU Zhang, ZHOU Jin, DENG Jiajie, WANG Xin, WU Benhua, ZHANG Jian, WANG Shiwei. Metre-scale Y₃Al₅O₁₂ (YAG) Transparent Ceramics by Vacuum Reactive Sintering [J]. Journal of Inorganic Materials, 2023, 38(12): 1483-1484.
[4]	LI Wenjun, WANG Hao, TU Bingtian, CHEN Qiangguo, ZHENG Kaiping, WANG Weiming, FU Zhengyi. Preparation and Property of Mg_0.9Al_2.08O_3.97N_0.03 Transparent Ceramic with Broad Optical Transmission Range [J]. Journal of Inorganic Materials, 2022, 37(9): 969-975.
[5]	MU Licheng, YANG Jinping, WANG Junping, ZHAO Jin, LIU Mengwei, WANG Dewen, ZHANG Jian. Preparation of YAG Transparent Ceramics by Epoxy Resin Modified Spontaneous Coagulation Casting [J]. Journal of Inorganic Materials, 2022, 37(9): 941-946.
[6]	LIU Qiang, WANG Qian, CHEN Penghui, LI Xiaoying, ZHANG Lixuan, XIE Tengfei, LI Jiang. Fabrication and Characterizations of Red Ce-doped 8YSZ Transparent Ceramics by Two-step Sintering [J]. Journal of Inorganic Materials, 2022, 37(8): 911-917.
[7]	XIAO Shulin, DAI Zhonghua, LI Dingyan, ZHANG Fanbo, YANG Lihong, REN Xiaobing. Electrical and Optical Property of Lanthanum Oxide Doped Potassium Sodium Niobate Ceramics [J]. Journal of Inorganic Materials, 2022, 37(5): 520-526.
[8]	JING Yanqiu, LIU Qiang, SU Sha, LI Xiaoying, LIU Ziyu, WANG Jingya, LI Jiang. Fabrication of Highly Transparent Co:MgAl₂O₄ Ceramic Saturable Absorber for Passive Q-switching in 1.5 μm [J]. Journal of Inorganic Materials, 2021, 36(8): 877-882.
[9]	ZENG Jianjun, ZHANG Kuibao, CHEN Daimeng, GUO Haiyan, DENG Ting, LIU Kui. Preparation of (La_0.2Nd_0.2Sm_0.2Gd_0.2Er_0.2)₂Zr₂O₇ High-entropy Transparent Ceramics by Vacuum Sintering [J]. Journal of Inorganic Materials, 2021, 36(4): 418-424.
[10]	LIU Ziyu, TOCI Guido, PIRRI Angela, PATRIZI Barbara, FENG Yagang, CHEN Xiaopu, HU Dianjun, TIAN Feng, WU Lexiang, VANNINI Matteo, LI Jiang. Fabrication and Optical Property of Nd:Lu₂O₃ Transparent Ceramics for Solid-state Laser Applications [J]. Journal of Inorganic Materials, 2021, 36(2): 210-216.
[11]	HUANG Xinyou, LIU Yumin, LIU Yang, LI Xiaoying, FENG Yagang, CHEN Xiaopu, CHEN Penghui, LIU Xin, XIE Tengfei, LI Jiang. Fabrication and Characterizations of Yb:YAG Transparent Ceramics Using Alcohol-water Co-precipitation Method [J]. Journal of Inorganic Materials, 2021, 36(2): 217-224.
[12]	ZHANG Jin-Cheng, WANG Hao, XU Peng-Yu, TU Bing-Tian, WANG Wei-Min, FU Zheng-Yi. Preparation of ZnO·2.56Al₂O₃ Transparent Ceramics by Aqueous Gelcasting and Hot Isostatic Pressing [J]. Journal of Inorganic Materials, 2019, 34(10): 1072-1076.
[13]	GUO Sheng-Qiang, WANG Hao, TU Bing-Tian, WANG Bin, XU Peng-Yu, WANG Wei-Min, FU Zheng-Yi. Fabrication and Property of Fine-grained MgO·1.44Al₂O₃ Spinel Transparent Ceramic [J]. Journal of Inorganic Materials, 2019, 34(10): 1067-1071.
[14]	ZHANG Zhou, WANG Hao, TU Bing-Tian, XU Peng-Yu, WANG Wei-Min, FU Zheng-Yi. Characterization and Evaluation on Mechanical Property of Mg_0.27Al_2.58O_3.73N_0.27 Transparent Ceramic [J]. Journal of Inorganic Materials, 2018, 33(9): 1006-1010.
[15]	LI Jiang, DAI Jia-Wei, PAN Yu-Bai. Research Progress on Magneto-optical Transparent Ceramics [J]. Journal of Inorganic Materials, 2018, 33(1): 1-8.