Journal Home > Volume 12 , Issue 8

Effective manipulations of thermal expansion and conductivity are significant for improving operational performances of protective coatings, thermoelectric, and radiators. This work uncovers determinant mechanisms of the thermal expansion and conductivity of symbiotic ScTaO4/SmTaO4 composites as thermal/environmental barrier coatings (T/EBCs), and we consider the effects of interface stress and thermal resistance. The weak bonding and interface stress among composite grains manipulate coefficient of thermal expansion (CTE) stretching from 6.4×10−6 to 10.7×10−6 K−1 at 1300 ℃, which gets close to that of substrates in T/EBC systems. The multiscale effects, including phonon scattering at the interface, mitigation of the phonon speed (vp), and lattice point defects, synergistically depress phonon thermal transports, and we estimate the proportions of different parts. The interface thermal resistance (R) reduces the thermal conductivity (k) by depressing phonon speed and scattering phonons because of different acoustic properties and weak bonding between symbiotic ScTaO4 and SmTaO4 ceramics in the composites. This study proves that CTE of tantalates can be artificially regulated to match those of different substrates to expand their applications, and the uncovered multiscale effects can be used to manipulate thermal transports of various materials.


menu
Abstract
Full text
Outline
About this article

Simultaneous manipulations of thermal expansion and conductivity in symbiotic ScTaO4/SmTaO4 composites via multiscale effects

Show Author's information Lin ChenJiankun WangBaihui LiKeren LuoJing Feng( )
Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093, China

Abstract

Effective manipulations of thermal expansion and conductivity are significant for improving operational performances of protective coatings, thermoelectric, and radiators. This work uncovers determinant mechanisms of the thermal expansion and conductivity of symbiotic ScTaO4/SmTaO4 composites as thermal/environmental barrier coatings (T/EBCs), and we consider the effects of interface stress and thermal resistance. The weak bonding and interface stress among composite grains manipulate coefficient of thermal expansion (CTE) stretching from 6.4×10−6 to 10.7×10−6 K−1 at 1300 ℃, which gets close to that of substrates in T/EBC systems. The multiscale effects, including phonon scattering at the interface, mitigation of the phonon speed (vp), and lattice point defects, synergistically depress phonon thermal transports, and we estimate the proportions of different parts. The interface thermal resistance (R) reduces the thermal conductivity (k) by depressing phonon speed and scattering phonons because of different acoustic properties and weak bonding between symbiotic ScTaO4 and SmTaO4 ceramics in the composites. This study proves that CTE of tantalates can be artificially regulated to match those of different substrates to expand their applications, and the uncovered multiscale effects can be used to manipulate thermal transports of various materials.

Keywords: thermal management, thermal/environmental barrier coatings (T/EBCs), coefficient of thermal expansion (CTE), interface thermal resistance (R), thermal stress (σ)

References(85)

[1]
Padture NP, Gell M, Jordan EH. Thermal barrier coatings for gas-turbine engine applications. Science 2002, 296: 280–284.
[2]
Shian S, Sarin P, Gurak M, et al. The tetragonal–monoclinic, ferroelastic transformation in yttrium tantalate and effect of zirconia alloying. Acta Mater 2014, 69: 196–202.
[3]
Arai Y, Inoue R. Detection of small delamination in mullite/Si/SiC model EBC system by pulse thermography. J Adv Ceram 2019, 8: 438–447.
[4]
Li GR, Wang LS, Zhang WW, et al. Tailoring degradation-resistant thermal barrier coatings based on the orientation of spontaneously formed pores: From retardation to self-improvement. Compos Part B-Eng 2020, 181: 107567.
[5]
Chen L, Li BH, Guo J, et al. High-entropy perovskite RETa3O9 ceramics for high-temperature environmental/thermal barrier coatings. J Adv Ceram 2022, 11: 556–569.
[6]
Chen L, Hu MY, Wu P, et al. Thermal expansion performance and intrinsic lattice thermal conductivity of ferroelastic RETaO4 ceramics. J Am Ceram Soc 2019, 102: 4809–4821.
[7]
Zhu YK, Guo J, Zhang YX, et al. Ultralow lattice thermal conductivity and enhanced power generation efficiency realized in Bi2Te2.7Se0.3/Bi2S3 nanocomposites. Acta Mater 2021, 218: 117230.
[8]
Qin BC, Zhao LD. Carriers: The less, the faster. Mater Lab 2022, 1: 220004.
[9]
Li N, Zhang YJ, Zhang Y, et al. Realizing ultrahigh thermal conductivity in bimodal-diamond/Al composites via interface engineering. Mater Today Phys 2022, 28: 100901.
[10]
Yang BC, Sun RX, Li XJ, et al. Rapid fabrication of hierarchical porous SiC/C hybrid structure: Toward high-performance capacitive energy storage with ultrahigh cyclability. J Mater Sci 2021, 56: 16068–16081.
[11]
Hu MY, Chen M, Guo PJ, et al. Sub-1.4 eV bandgap inorganic perovskite solar cells with long-term stability. Nat Commun 2020, 11: 151.
[12]
Supriya S. Recent trends and morphology mechanisms of rare-earth based BiFeO3 nano perovskites with excellent photocatalytic performances. J Rare Earth 2023, 41: 331–341.
[13]
Chen XW, Cheng GF, Yang JS, et al. Effects of interfacial residual stress on mechanical behavior of SiCf/SiC composites. J Adv Ceram 2022, 11: 94–104.
[14]
Ye BL, Wen TQ, Nguyen MC, et al. First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics. Acta Mater 2019, 170: 15–23.
[15]
Malešević A, Radojković A, Žunić M, et al. Evaluation of stability and functionality of BaCe1−xInxO3−δ electrolyte in a wider range of indium concentration. J Adv Ceram 2022, 11: 443–453.
[16]
Chen L, Song P, Feng J. Influence of ZrO2 alloying effect on the thermophysical properties of fluorite-type Eu3TaO7 ceramics. Scripta Mater 2018, 152: 117–121.
[17]
Song WJ, Guo HB. CMAS dilemma in jet engines: Beginning or ending? Mater Lab 2023, 2: 220042.
[18]
Liu D, Fu QG, Chu YH. Molten salt synthesis, formation mechanism, and oxidation behavior of nanocrystalline HfB2 powders. J Adv Ceram 2020, 9: 35–44.
[19]
Xie M, An SL, Song XW, et al. Effects of Er3+ doping on structure and thermal properties of (Sm1−xErx)2Zr2O7 ceramics for thermal barrier coating. J Rare Earth 2022, 40: 1920–1926.
[20]
Chang C, Kanatzidis MG. High-entropy thermoelectric materials emerging. Mater Lab 2023, 2: 220048.
[21]
Johnson WB, Sonuparlak B. Diamond/Al metal matrix composites formed by the pressureless metal infiltration process. J Mater Res 1993, 8: 1169–1173.
[22]
Jiang SQ, Ma XX, Tang GZ, et al. Microstructure and variable emittance property of annealed La–Sr–Mn–O films. J Rare Earth 2011, 29: 83–86.
[23]
Chen L, Wang YT, Hu MY, et al. Achieved limit thermal conductivity and enhancements of mechanical properties in fluorite RE3NbO7 via entropy engineering. Appl Phys Lett 2021, 118: 071905.
[24]
Zhao M, Ren XR, Yang J, et al. Thermo-mechanical properties of ThO2-doped Y2O3 stabilized ZrO2 for thermal barrier coatings. Ceram Int 2016, 42: 501–508.
[25]
Liu YC, Jia DC, Zhou Y, et al. Zn0.1Ca0.1Sr0.4Ba0.4ZrO3: A non-equimolar multicomponent perovskite ceramic with low thermal conductivity. J Eur Ceram Soc 2020, 40: 6272–6277.
[26]
Tian ZL, Lin CF, Zheng LY, et al. Defect-mediated multiple-enhancement of phonon scattering and decrement of thermal conductivity in (YxYb1−x)2SiO5 solid solution. Acta Mater 2018, 144: 292–304.
[27]
Xu LQ, Xiao Y, Wang SN, et al. Dense dislocations enable high-performance PbSe thermoelectric at low-medium temperatures. Nat Commun 2022, 13: 6449.
[28]
Li JF, Liu WS, Zhao LD, et al. High-performance nanostructured thermoelectric materials. NPG Asia Mater 2010, 2: 152–158.
[29]
Zhang Y, Zhang HL, Wu JH, et al. Enhanced thermal conductivity in copper matrix composites reinforced with titanium-coated diamond particles. Scripta Mater 2011, 65: 1097–1100.
[30]
Zhao BL, Pei YL, Zhang LH, et al. Thermal and mechanical properties of Yb&Mg co-doped InFeZnO4. J Alloys Compd 2016, 684: 34–39.
[31]
Wan CL, Qu ZX, Du AB, et al. Influence of B site substituent Ti on the structure and thermophysical properties of A2B2O7-type pyrochlore Gd2Zr2O7. Acta Mater 2009, 57: 4782–4789.
[32]
Liu Y, Xie M, Li RY, et al. CMAS corrosion performance of (Sm0.9Er0.1)2Zr2O7 ceramic materials. J Chin Soc Rare Earth 2022, 40: 827–833. (in Chinese)
[33]
Wei ZY, Meng GH, Chen L, et al. Progress in ceramic materials and structure design toward advanced thermal barrier coatings. J Adv Ceram 2022, 11: 985–1068.
[34]
Chen L, Jiang YH, Chong XY, et al. Synthesis and thermophysical properties of RETa3O9 (RE = Ce, Nd, Sm, Eu, Gd, Dy, Er) as promising thermal barrier coatings. J Am Ceram Soc 2018, 101: 1266–1278.
[35]
Johnson MB, James DD, Bourque A, et al. Thermal properties of the pyrochlore, Y2Ti2O7. J Solid State Chem 2009, 182: 725–729.
[36]
Guo YC, Feng SW, Yang YF, et al. High-entropy titanate pyrochlore as newly low-thermal conductivity ceramics. J Eur Ceram Soc 2022, 42: 6614–6623.
[37]
Fabris S, Paxton AT, Finnis MW. A stabilization mechanism of zirconia based on oxygen vacancies only. Acta Mater 2002, 50: 5171–5178.
[38]
Limarga AM, Shian S, Leckie RM, et al. Thermal conductivity of single- and multi-phase compositions in the ZrO2–Y2O3–Ta2O5 system. J Eur Ceram Soc 2014, 34: 3085–3094.
[39]
Chen L, Hu MY, Feng J. Defect-dominated phonon scattering processes and thermal transports of ferroelastic (Sm1–XYbX)TaO4 solid solutions. Mater Today Phys 2023, 35: 101118.
[40]
Daroonparvar M, Yajid MAM, Yusof NM, et al. Effect of Y2O3 stabilized ZrO2 coating with tri-model structure on bi-layered thermally grown oxide evolution in nano thermal barrier coating systems at elevated temperatures. J Rare Earth 2014, 32: 57–77.
[41]
Feng J, Shian S, Xiao B, et al. First-principles calculations of the high-temperature phase transformation in yttrium tantalate. Phys Rev B 2014, 90: 094102.
[42]
Gururaj K, Saha M, Maurya SK, et al. On the correlative microscopy analyses of nano-twinned domains in 2 mol% zirconia alloyed yttrium tantalate thermal barrier material. Scripta Mater 2022, 212: 114584.
[43]
Han Y, Zong PA, Huang MZ, et al. In-situ synthesis of gadolinium niobate quasi-binary composites with balanced mechanical and thermal properties for thermal barrier coatings. J Adv Ceram 2022, 11: 1445–1456.
[44]
Chen L, Hu MY, Zheng XD, et al. Characteristics of ferroelastic domains and thermal transport limits in HfO2 alloying YTaO4 ceramics. Acta Mater 2023, 251: 118870.
[45]
Zhao ZL, Liu RR, Tian Q. Selection of rare-earth refining agents for superalloy and experimental study. J Chin Soc Rare Earth 2015, 33: 712–717. (in Chinese)
[46]
Lin QY. Segregation and action of lanthanum in NiCrCoW alloy. J Chin Soc Rare Earth 1998, 16: 158–161. (in Chinese)
[47]
Liu D, Liu HH, Ning SS, et al. Synthesis of high-purity high-entropy metal diboride powders by boro/carbothermal reduction. J Am Ceram Soc 2019, 102: 7071–7076.
[48]
Ni DW, Cheng Y, Zhang JP, et al. Advances in ultra-high temperature ceramics, composites, and coatings. J Adv Ceram 2022, 11: 1–56.
[49]
Williams JC, Starke EA. Progress in structural materials for aerospace systems. Acta Mater 2003, 51: 5775–5799.
[50]
Chen L, Hu MY, Guo J, et al. Mechanical and thermal properties of RETaO4 (RE = Yb, Lu, Sc) ceramics with monoclinic-prime phase. J Mater Sci Technol 2020, 52: 20–28.
[51]
Li BH, Chen L, Hu MY, et al. Ferroelastic tetragonal-monoclinic phase transition and anisotropic thermal expansion of LuNbO4 ceramics. Scripta Mater 2023, 228: 115258.
[52]
Karadeniz ZH, Kumlutas D. A numerical study on the coefficients of thermal expansion of fiber reinforced composite materials. Compos Struct 2007, 78: 1–10.
[53]
Kerner EH. The elastic and thermo-elastic properties of composite media. Proc Phys Soc B 1956, 69: 808–813.
[54]
Turner PS. The problem of thermal-expansion stresses in reinforced plastics. J Res Natl Bur Stand 1946, 37: 239–250.
[55]
Taya M, Hayashi S, Kobayashi AS, et al. Toughening of a particulate-reinforced ceramic-matrix composite by thermal residual stress. J Am Ceram Soc 1990, 73: 1382–1391.
[56]
Eshelby JD. The determination of the elastic field of an ellipsoidal inclusion, and related problems. P Roy Soc A-Math Phy 1957, 241: 376–396.
[57]
Yang J, Wan CL, Zhao M, et al. Effective blocking of radiative thermal conductivity in La2Zr2O7/LaPO4 composites for high temperature thermal insulation applications. J Eur Ceram Soc 2016, 36: 3809–3814.
[58]
Liu MJ, Zhang G, Lu YH, et al. Plasma spray–physical vapor deposition toward advanced thermal barrier coatings: A review. Rare Metals 2020, 39: 479–497.
[59]
Zhu RB, Zou JP, Mao J, et al. A comparison between novel Gd2Zr2O7 and Gd2Zr2O7/YSZ thermal barrier coatings fabricated by plasma spray–physical vapor deposition. Rare Metals 2021, 40: 2244–2253.
[60]
Nan CW, Yuan RZ. Multiple-scattering solution to nonlinear mechanical properties of binary elastic–plastic composite media. Phys Rev B 1993, 48: 3042–3047.
[61]
Stoner RJ, Maris HJ. Kapitza conductance and heat flow between solids at temperatures from 50 to 300 K. Phys Rev B 1993, 48: 16373–16387.
[62]
Nan CW, Birringer R, Clarke DR, et al. Effective thermal conductivity of particulate composites with interfacial thermal resistance. J Appl Phys 1997, 81: 6692–6699.
[63]
Hashin Z. Analysis of composite materials—A survey. J Appl Mech 1983, 50: 481–505.
[64]
Limarga AM, Clarke DR. The grain size and temperature dependence of the thermal conductivity of polycrystalline, tetragonal yttria-stabilized zirconia. Appl Phys Lett 2011, 98: 211906.
[65]
Wang YF, Fujinami K, Zhang RZ, et al. Interfacial thermal resistance and thermal conductivity in nanograined SrTiO3. Appl Phys Express 2010, 3: 031101.
[66]
Chung DH, Buessem WR. The Voigt–Reuss–Hill (VRH) approximation and the elastic moduli of polycrystalline ZnO, TiO2 (rutile), and α-Al2O3. J Appl Phys 1968, 39: 2777–2782.
[67]
Anderson OL. A simplified method for calculating the Debye temperature from elastic constants. J Phys Chem Solids 1963, 24: 909–917.
[68]
Cahill DG, Watson SK, Pohl RO. Lower limit to the thermal conductivity of disordered crystals. Phys Rev B 1992, 46: 6131–6140.
[69]
Tian ZL, Zheng LY, Wang JM, et al. Theoretical and experimental determination of the major thermo-mechanical properties of RE2SiO5 (RE = Tb, Dy, Ho, Er, Tm, Yb, Lu, and Y) for environmental and thermal barrier coating applications. J Eur Ceram Soc 2016, 36: 189–202.
[70]
Chen L, Guo J, Zhu YK, et al. Features of crystal structures and thermo-mechanical properties of weberites RE3NbO7 (RE = La, Nd, Sm, Eu, Gd) ceramics. J Am Ceram Soc 2021, 104: 404–412.
[71]
Gan MD, Chong XY, Yu W, et al. Understanding the ultralow lattice thermal conductivity of monoclinic RETaO4 from acoustic–optical phonon anti-crossing property and a comparison with ZrO2. J Am Ceram Soc 2023, 106: 3103–3115.
[72]
Hanus R, Agne MT, Rettie AJE, et al. Lattice softening significantly reduces thermal conductivity and leads to high thermoelectric efficiency. Adv Mater 2019, 31: 1900108.
[73]
Callaway J, von Baeyer HC. Effect of point imperfections on lattice thermal conductivity. Phys Rev 1960, 120: 1149–1154.
[74]
Klemens PG. Heat conduction in solids by phonons. Thermochim Acta 1993, 218: 247–255.
[75]
Qu ZX, Sparks TD, Pan W, et al. Thermal conductivity of the gadolinium calcium silicate apatites: Effect of different point defect types. Acta Mater 2011, 59: 3841–3850.
[76]
Smith DS, Grandjean S, Absi J, et al. Grain-boundary thermal resistance in polycrystalline oxides: Alumina, tin oxide, and magnesia. High Temp–High Press 2003/2004, 35/36: 93–99.
[77]
Li YR, Luo YX, Tian ZL, et al. Theoretical exploration of the abnormal trend in lattice thermal conductivity for monosilicates RE2SiO5 (RE = Dy, Ho, Er, Tm, Yb and Lu). J Eur Ceram Soc 2018, 38: 3539–3546.
[78]
Li YR, Wang JM, Wang JY. Theoretical investigation of phonon contributions to thermal expansion coefficients for rare earth monosilicates RE2SiO5 (RE = Dy, Ho, Er, Tm, Yb and Lu). J Eur Ceram Soc 2020, 40: 2658–2666.
[79]
Li YR, Wu Q, Lai ML, et al. Influence of chemical disorder on mechanical and thermal properties of multi-component rare earth zirconate pyrochlores (nRE1/n)2Zr2O7. J Appl Phys 2022, 132: 075108.
[80]
Zhang XX, Wu HJ, Pei YL, et al. Investigation on thermal transport and structural properties of InFeO3(ZnO)m with modulated layer structures. Acta Mater 2017, 136: 235–241.
[81]
Feng J, Zhou YX, Ren XR, et al. Thermophysical properties of rare earth barium aluminates. J Am Ceram Soc 2018, 101: 2718–2723.
[82]
Liu YC, Jia DC, Zhou Y, et al. Discovery of ABO4 scheelites with the extra low thermal conductivity through high-throughput calculations. J Materiomics 2020, 6: 702–711.
[83]
Li F, Zhou L, Liu JX, et al. High-entropy pyrochlores with low thermal conductivity for thermal barrier coating materials. J Adv Ceram 2019, 8: 576–582.
[84]
Chen T, Hui Y, Xu JY, et al. Effect of heat treatment of nano 8YSZ powder on thermal shock lifetime of plasma sprayed coating. J Chin Soc Rare Earth 2016, 34: 189–198. (in Chinese)
[85]
Zhang SS, Huo PJ, Deng LH, et al. YSZ thermal barrier coatings on magnesium alloy with HVOF sprayed aluminum or zinc interlayer. J Chin Soc Rare Earth 2020, 38: 53–59. (in Chinese)
Publication history
Copyright
Acknowledgements
Rights and permissions

Publication history

Received: 26 March 2023
Revised: 13 May 2023
Accepted: 30 May 2023
Published: 01 August 2023
Issue date: August 2023

Copyright

© The Author(s) 2023.

Acknowledgements

Thanks for the supports from the National Natural Science Foundation of China (No. 91960103), National Key Research and Development Program of China (No. 2022YFB3708600), the Rare and Precious Metals Material Genetic Engineering Project of Yunnan Province (No. 202102AB080019-1), and the Top Innovative Talents of Graduate Students of Kunming University of Science and Technology.

Rights and permissions

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made.

The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.

To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

Return