文献类型：期刊文献

英文题名：Investigation on the Thermal-Mechanical Properties of YbRESiO5 (RE = Yb, Eu, Gd, Ho, Tm, Lu, Y, Sc): First-Principles Calculations and Thermal Performance Experiments

作者：Yang, Shilong[1];Wang, Tianying[2];Li, Kaibin[1];Wang, Weize[1,3];Liu, Yangguang[1];Yang, Ting[1]

机构：[1]East China Univ Sci & Technol, Key Lab Pressure Syst & Safety, Minist Educ, Shanghai 200237, Peoples R China;[2]AECC Beijing Inst Aeronaut Mat, Key Lab Adv Corros & Protect Aviat Mat, Beijing 100195, Peoples R China;[3]Shanghai Inst Aircraft Mech & Control, Shanghai 200092, Peoples R China

年份：2024

卷号：14

期号：8

外文期刊名：COATINGS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:001306960700001)】；

基金：This research was sponsored by the National High Technology Research and Development Program of China (2023YFB3711200), the National Natural Science Foundation of China (52175136, 52130511), the Science Center for Gas Turbine Project (P2021-A-IV-002), the Shanghai Joint Innovation Program in the Field of Commercial Aviation Engines, the Shanghai Gaofeng Project for University Academic Program Development, and the Key Research and Development Projects in Anhui Province (2022a05020004).

语种：英文

外文关键词：rare earth monosilicate; environment barrier coating; first-principles calculation; water vapor corrosion resistance; thermal properties

摘要：Environmental barrier coatings are critically needed in the future to safeguard SiC-based ceramic matrix composites (SiC CMCs) used in gas turbines. Element doping of rare earth monosilicates could further improve the properties of the coating. The crystal structure, elastic properties, and resistance to water vapor corrosion of Yb2SiO5 and YbRESiO5 (where RE = Sc, Y, Eu, Gd, Ho, Tm, Lu) were examined in this study using first-principles calculations. When RE is Yb, the material is Yb2SiO5. Based on the outcomes of the calculation, we prepared YbRESiO5 (RE = Sc, Yb, Eu) and studied the thermodynamic properties. The findings show that YbReSiO5's resistance to water vapor corrosion is as follows: YbLuSiO5 < YbEuSiO5 < YbGdSiO5 < YbYSiO5 < Yb2SiO5 < YbTmSiO5 < YbHoSiO5 < YbScSiO5. YbScSiO5 has a lower unit cell volume, average Re-O bond length, and thermal expansion coefficient than Yb2SiO5, while YbEuSiO5 has the reverse pattern. Moreover, of the eight materials, YbScSiO5 has the greatest elastic modulus and lattice distortion. After doping with Eu, YbEuSiO5 exhibits a decrease in thermal conductivity by nearly thirty percent compared to Yb2SiO5, due to the formation of oxygen vacancies. The development of environmental barrier coating materials may benefit from these discoveries.