AI Chat Paper
Note: Please note that the following content is generated by AMiner AI. SciOpen does not take any responsibility related to this content.
{{lang === 'zh_CN' ? '文章概述' : 'Summary'}}
{{lang === 'en_US' ? '中' : 'Eng'}}
Chat more with AI
PDF (8.9 MB)
Collect
Submit Manuscript AI Chat Paper
Show Outline
Outline
Show full outline
Hide outline
Outline
Show full outline
Hide outline
Research Article | Open Access

CMAS-phobic and infiltration-inhibiting protective layer material for thermal barrier coatings

Shijun Meng1Lei Guo1,2( )Hongbo Guo3( )Yuanpeng Wang1Hongli Liu4
School of Materials Science and Engineering, Tianjin University, Tianjin 300072, China
Tianjin Key Laboratory of Advanced Joining Technology, Key Lab of Advanced Ceramics and Machining Technology of Ministry of Education, Tianjin 300072, China
School of Materials Science and Engineering, Beihang University, Beijing 100191, China
College of Aeronautical Engineering, Civil Aviation University of China, Tianjin 300300, China
Show Author Information

Graphical Abstract

Abstract

Calcium–magnesium–alumina–silicate (CMAS) corrosion has attracted special attention in the thermal barrier coating (TBC) field. At high temperatures, when CMAS melts, it adheres to the coating surface and penetrates the interior, severely destroying the TBC. In this study, a promising CMAS-phobic and infiltration-inhibiting material, GdPO4, on which molten CMAS is difficult to wet and penetrate, was proposed. These desirable attributes are explained by analyzing the material characteristics of GdPO4 and its interfacial reaction with CMAS. GdPO4 is demonstrated to have low surface energy, making it difficult for molten CMAS to wet and adhere to the surface. When in contact with molten CMAS, a double-layer structured reaction layer consisting of an acicular upper sublayer and a compact lower sublayer is formed on the GdPO4 surface, which can effectively impede molten CMAS spreading and penetration. First-principles calculation results revealed that the reaction layer has low surface energy and low adhesion to CMAS, which are favorable for molten CMAS phobicity. Additionally, the formation of the reaction layer increases the viscosity of the molten CMAS, which can increase melt wetting and penetration. Hence, GdPO4, which exhibits excellent CMAS-phobicity and infiltration-inhibiting ability, is a promising protective layer material for TBCs against CMAS adhesion and attack.

References

[1]

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.

[2]

Dai JW, Huang B, He LM, et al. Thermal cycling behavior and failure mechanism of Yb2O3-doped yttria-stabilized zirconia thermal barrier coatings. Mater Today Commun 2023, 34: 105409.

[3]

Guo L, He WT, Chen WB, et al. Progress on high-temperature protective coatings for aero-engines. Surf Sci Technol 2023, 1: 6.

[4]

Krause AR, Garces HF, Dwivedi G, et al. Calcia–magnesia–alumino–silicate (CMAS)-induced degradation and failure of air plasma sprayed yttria-stabilized zirconia thermal barrier coatings. Acta Mater 2016, 105: 355–366.

[5]

Guo L, Zhang B, Gao Y, et al. Interaction laws of RE2O3 and CMAS and rare earth selection criterions for RE-containing thermal barrier coatings against CMAS attack. Corros Sci 2024, 226: 111689.

[6]

Guo L, Li YY, Li G. Design of Ti2AlC/YSZ TBCs for more efficient in resisting CMAS attack. J Adv Ceram 2023, 12: 1712–1730.

[7]

Krämer S, Yang J, Levi CG, et al. Thermochemical interaction of thermal barrier coatings with molten CaO–MgO–Al2O3–SiO2 (CMAS) deposits. J Am Ceram Soc 2006, 89: 3167–3175.

[8]

Guo L, Zhang XM, Liu MG, et al. CMAS + sea salt corrosion to thermal barrier coatings. Corros Sci 2023, 218: 111172.

[9]

Guo L, Gao Y, Ye F, et al. CMAS corrosion behavior and protection method of thermal barrier coatings for aeroengine. Acta Metall Sin 2021, 57: 1184–1198.

[10]

Bakkar S, Zucha E, Beam J, et al. A new approach to protect and extend longevity of the thermal barrier coating by an impermeable layer of silicon nitride. J Am Ceram Soc 2023, 106: 6221–6229.

[11]

Avcı A, Karabaş M, Eker AA, et al. Improvement of CMAS resistance of laser glazed and nano-modified YSZ thermal barrier coatings. Ceram Int 2024, 50: 9985–9999.

[12]
Guo L, Gao Y, Xin H. Laser modification parameters optimization and structural design of thermal barrier coatings. Acta Aeronaut Astronaut Sin 2021, 42 (7): 562–571. (in Chinese)
[13]

Guo YQ, Song WJ, Guo L, et al. Molten-volcanic-ash-phobic thermal barrier coating based on biomimetic structure. Adv Sci 2023, 10: 2205156.

[14]

Guo YQ, Guo L, Liu KY, et al. Mechanical properties and simulated thermal conductivity of biomimetic structured PS–PVD (Gd0.9Yb0.1)2Zr2O7 thermal barrier coatings. J Mater Sci Technol 2024, 182: 33–40.

[15]

Guo YQ, Guo L, Li XX, et al. Ultrafast laser reconstructed PS–PVD thermal barrier coatings with superior silicophobic triple-scale micro/nano structure. Mater Des 2023, 228: 111846.

[16]

Wang YH, Xu ZN, Wang WZ, et al. Preparation and CMAS wettability investigation of CMAS corrosion resistant protective layer with micro-nano double scale structure. Coatings 2022, 12(5): 648.

[17]

Krämer S, Yang J, Levi CG. Infiltration-inhibiting reaction of gadolinium zirconate thermal barrier coatings with CMAS melts. J Am Ceram Soc 2008, 91: 576–583.

[18]

Guo L, Li BW, Cheng YX, et al. Composition optimization, high-temperature stability, and thermal cycling performance of Sc-doped Gd2Zr2O7 thermal barrier coatings: Theoretical and experimental studies. J Adv Ceram 2022, 11: 454–469.

[19]

Feng J, Xiao B, Zhou R, et al. Anisotropy in elasticity and thermal conductivity of monazite-type REPO4 (RE = La, Ce, Nd, Sm, Eu, and Gd) from first-principles calculations. Acta Mater 2013, 61: 7364–7383.

[20]

Guo L, Yan Z, Li ZH, et al. GdPO4 as a novel candidate for thermal barrier coating applications at elevated temperatures. Surf Coat Tech 2018, 349: 400–406.

[21]

Guo L, Li G, Gan ZL. Effects of surface roughness on CMAS corrosion behavior for thermal barrier coating applications. J Adv Ceram 2021, 10: 472–481.

[22]

Siegel DJ, Hector LG, Adams JB. First-principles study of metal–carbide/nitride adhesion: Al/VC vs. Al/VN. Acta Mater 2002, 50: 619–631.

[23]

Arya A, Carter EA. Structure, bonding, and adhesion at the TiC(100)/Fe(110) interface from first principles. J Chem Phys 2003, 118: 8982–8996.

[24]

Passerone A, Muolo ML, Novakovic R, et al. Liquid metal/ceramic interactions in the (Cu,Ag,Au)/ZrB2 systems. J Eur Ceram Soc 2007, 27: 3277–3285.

[25]

Zhang XZ, Xu PH, Zhang MF, et al. Improving the wettability of Ag/ZrB2 system by Ti, Zr and Hf addition: An insight from first-principle calculations. Appl Surf Sci 2020, 517: 146201.

[26]

Liu Y, Ning XS. Influence of α-Al2O3 (0001) surface reconstruction on wettability of Al/Al2O3 interface: A first-principle study. Comp Mater Sci 2014, 85: 193–199.

[27]

Li BT, Chen Z, Zheng HZ, et al. Wetting mechanism of CMAS melt on YSZ surface at high temperature: First-principles calculation. Appl Surf Sci 2019, 483: 811–818.

[28]

Zhou PF, Li GF, Zhang YQ, et al. Infiltration mechanism of Ca–Mg–Al–silicate (CMAS) melt on yttria stabilized zirconia (YSZ) columnar crystal at high temperature: First-principles research. Appl Surf Sci 2020, 513: 145712.

[29]

Zhou BY, Wu Y, Ke XJ, et al. Resistance of ytterbium silicate environmental barrier coatings against molten calcium-magnesium-aluminosilicate (CMAS): A comprehensive study. Surf Coat Tech 2024, 479: 130540.

[30]

Kresse G, Furthmüller J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 1996, 54: 11169–11186.

[31]

Perdew JP, Burke K, Wang Y. Generalized gradient approximation for the exchange-correlation hole of a many-electron system. Phys Rev B 1996, 54: 16533–16539.

[32]

Kresse G, Furthmüller J. Efficiency of ab initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comp Mater Sci 1996, 6: 15–50.

[33]
Thompson AP, Aktulga HM, Berger R, et al. LAMMPS—A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comput Phys Commun 2022, 271 : 108171.
[34]

Hu ZN, Zheng HZ, Li GF, et al. The mechanism in surface morphology of YSZ ceramics influencing its corrosion resistance to CMAS melt: Molecular dynamics research. J Non Cryst Solids 2023, 606: 122194.

[35]

Beckedahl D, Obaga EO, Uken DA, et al. On the configurational temperature Nosè–Hoover thermostat. Physica A 2016, 461: 19–35.

[36]

Pirzada M, Grimes RW, Minervini L, et al. Oxygen migration in A2B2O7 pyrochlores. Solid State Ionics 2001, 140: 201–208.

[37]

Hernandez SER, Ainsworth RI, de Leeuw NH. Molecular dynamics simulations of bio-active phosphate-based glass surfaces. J Non Cryst Solids 2016, 451: 131–137.

[38]

Guo L, Feng JY, Meng SJ. Corrosion resistance of GdPO4 thermal barrier coating candidate in the presence of CMAS + NaVO3 and CMAS. Corros Sci 2022, 208: 110628.

[39]

Guo L, Li YY, Yan K. Corrosion behavior of Gd2Zr2O7 thermal barrier coatings under Fe-containing environmental sediment attack. J Adv Ceram 2024, 13: 447–462.

[40]

Guo L, Feng JY, Liu MG, et al. Yb doping effects on CMAS corrosion resistance of Yb-doped GdPO4 by first-principles calculation and experimental investigation. Corros Sci 2023, 218: 111175.

[41]

Ardhaoui K, Coulet MV, Ben Chérifa A, et al. Standard enthalpy of formation of neodymium fluorbritholites. Thermochim Acta 2006, 444: 190–194.

[42]

Qin SY, Cao HT, Brewster G, et al. Unveiling the protection mechanism of LaPO4 against CMAS attack. Scripta Mater 2024, 239: 115819.

[43]

Rakovan J. Growth and surface properties of apatite. Rev Mineral Geochem 2002, 48: 51–86.

[44]

Chavez JJG, Naraparaju R, Mikulla C, et al. Comparative study of EB–PVD gadolinium–zirconate and yttria-rich zirconia coatings performance against Fe-containing calcium-magnesium-aluminosilicate (CMAS) infiltration. Corros Sci 2021, 190: 109660.

[45]

Li BT, Zheng HZ, Li GF, et al. Study on the surface activity of t-YSZ nanomaterials by first-principles calculation. Appl Surf Sci 2019, 471: 1072–1082.

[46]

Wei Y, Jia H, Xiao H, et al. Emitting-tunable Eu(2+/3+)-doped Ca(8– x )La(2+ x )(PO4)6– x (SiO4) x O2 apatite phosphor for n-UV WLEDs with high-color-rendering. RSC Adv 2017, 7: 1899–1904.

[47]

Garcia JC, Scolfaro LMR, Lino AT, et al. Structural, electronic, and optical properties of ZrO2 from ab initio calculations. J Appl Phys 2006, 100: 104103.

[48]

Kang YX, Bai Y, Du GQ, et al. High temperature wettability between CMAS and YSZ coating with tailored surface microstructures. Mater Lett 2018, 229: 40–43.

[49]

Saiz E, Tomsia AP, Cannon RM. Triple line ridging and attachment in high-temperature wetting. Scripta Mater 2001, 44: 159–164.

[50]

Yang SJ, Song WJ, Dingwell DB, et al. Surface roughness affects metastable non-wetting behavior of silicate melts on thermal barrier coatings. Rare Met 2022, 41: 469–481.

[51]

Wenzel RN. Resistance of solid surfaces to wetting by water. Ind Eng Chem 1936, 28: 988–994.

[52]
Eustathopoulos N, Nicholas MGD, Drevet B. Wettability at High Temperatures. Pergamon Press, 1999.
[53]

Tam J, Feng B, Ikuhara Y, et al. Crystallographic orientation-surface energy-wetting property relationships of rare earth oxides. J Mater Chem A 2018, 6: 18384–18388.

[54]

Guo YH, Wang ZF, Zhang LZ, et al. Thickness dependence of surface energy and contact angle of water droplets on ultrathin MoS2 films. Phys Chem Chem Phys 2016, 18: 14449–14453.

[55]

Adam NK. Use of the term “Young’s equation” for contact angles. Nature 1957, 180: 809–810.

[56]

Yin BB, Zhang F, Zhu W, et al. Effect of Al2O3 modification on the properties of YSZ: Corrosion resistant, wetting and thermal-mechanical properties. Surf Coat Tech 2019, 357: 161–171.

Journal of Advanced Ceramics
Pages 1254-1267
Cite this article:
Meng S, Guo L, Guo H, et al. CMAS-phobic and infiltration-inhibiting protective layer material for thermal barrier coatings. Journal of Advanced Ceramics, 2024, 13(8): 1254-1267. https://doi.org/10.26599/JAC.2024.9220934

469

Views

105

Downloads

0

Crossref

0

Web of Science

0

Scopus

0

CSCD

Altmetrics

Received: 03 April 2024
Revised: 12 June 2024
Accepted: 28 June 2024
Published: 30 August 2024
© The Author(s) 2024.

This is an open access article under the terms of the Creative Commons Attribution 4.0 International License (CC BY 4.0, http://creativecommons.org/licenses/by/4.0/).

Return