| Material-genome perspective towards tunable thermal expansion of rare-earth di-silicates | |
| Luo, Yixiu1,2; Sun, Luchao1; Wang, Jiemin1; Wu, Zhen1; Lv, Xirui1,2; Wang, Jingyang1 | |
| Corresponding Author | Wang, Jingyang(jywang@imr.ac.cn) |
| 2018-08-01 | |
| Source Publication | JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
 |
| ISSN | 0955-2219 |
| Volume | 38Issue:10Pages:3547-3554 |
| Abstract | Optimization of thermal expansion coefficient (CTE) mismatch among constituent rare-earth silicate layers is a critical challenge for the optimal multilayer thermal/environmental barrier coating (T/EBC) architecture for SiCf/SiCm CMCs. In this study, thermal expansion properties for beta-, gamma- and delta-RE2Si2O7 polymorphs are investigated via DFT calculations. The interaction between rare-earth (RE) atoms and neighboring bridging oxygen ((OB)) atoms, as well as the structure of [O3Si-(OB)-Si0(3)] pyrosilicate units are the characteristic "gene" that controls the positive or negative contribution from low-frequency vibration patterns to the overall phonon anharmonicity, and eventually determine the significantly different CTE of RE2Si2O7 polymorphs. Inspired by the concept of "genome modification", gamma-(Dy0.15Y0.85)(2)Si2O7 solid solution is designed and synthesized, which shows notable enhancements of CTE as compared with gamma-Y(2)si(2)O(7). Such tunable CTE could presumably be explained by doping-induced localized lattice distortion around [O3Si-O-B-SiO3] pyrosilicate units, leading to switchable magnitude of negative contribution from low-frequency phonons to thermal expansion. |
| Keyword | Rare-earth disilicates Thermal/environmental barrier coating Thermal expansion Phonon anharmonicity Density functional theory |
| Funding Organization | National Key R&D Program of China ; Natural Science Foundation of China |
| DOI | 10.1016/j.jeurceramsoc.2018.04.021 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | National Key R&D Program of China[2017YFB0703201] ; Natural Science Foundation of China[51402311] ; Natural Science Foundation of China[51772302] |
| WOS Research Area | Materials Science |
| WOS Subject | Materials Science, Ceramics |
| WOS ID | WOS:000432768900018 |
| Publisher | ELSEVIER SCI LTD |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/128370 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Wang, Jingyang |
| Affiliation | 1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, High Performance Ceram Div, Shenyang 110016, Liaoning, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Hefei, Anhui, Peoples R China |
| Recommended Citation GB/T 7714 | Luo, Yixiu,Sun, Luchao,Wang, Jiemin,et al. Material-genome perspective towards tunable thermal expansion of rare-earth di-silicates[J]. JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,2018,38(10):3547-3554. |
| APA | Luo, Yixiu,Sun, Luchao,Wang, Jiemin,Wu, Zhen,Lv, Xirui,&Wang, Jingyang.(2018).Material-genome perspective towards tunable thermal expansion of rare-earth di-silicates.JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,38(10),3547-3554. |
| MLA | Luo, Yixiu,et al."Material-genome perspective towards tunable thermal expansion of rare-earth di-silicates".JOURNAL OF THE EUROPEAN CERAMIC SOCIETY 38.10(2018):3547-3554. |
| Files in This Item: | There are no files associated with this item. | |||||
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment