IMR OpenIR
Theoretical investigation of phonon contributions to thermal expansion coefficients for rare earth monosilicates RE2SiO5 (RE = Dy, Ho, Er, Tm, Yb and Lu)
Li, Yiran1,2; Wang, Jiemin1; Wang, Jingyang1
Corresponding AuthorWang, Jingyang(jywang@imr.ac.cn)
2020-07-01
Source PublicationJOURNAL OF THE EUROPEAN CERAMIC SOCIETY
ISSN0955-2219
Volume40Issue:7Pages:2658-2666
AbstractOwing to the superior chemical and thermal compatibility with silicon-based ceramics, rare earth (RE) monosilicates RE2SiO5 are promising as environmental barrier coating materials for the applications in high-temperatures aero-engines. Herein, thermal expansion and phonon characteristics of RE2SiO5 (RE = Dy, Ho, Er, Tm, Yb and Lu) were investigated by first-principles calculations. The thermal expansion coefficients were predicted as a function of temperature and ranged from 8.87 to 7.72 x 10(-6)/K at 1600 K for the studied RE2SiO5. The isolated RE and O5 atoms determine the thermal expansion behaviours of RE2SiO5 especially at low phonon frequencies; while the [SiO4] tetrahedrons contribute positively, but less significantly to the thermal expansion. The balance between negative contribution from distortion of RE polyhedrons and positive contribution from stretching of RE-O bonds is identified as the key to tune the thermal expansion coefficient of RE silicates.
KeywordRare earth silicate First-principles calculation Lattice dynamics Thermal expansion Environmental barrier coating
Funding OrganizationNational Science and Technology Major Project ; National Key R&D Program of China ; Natural Science Foundation of China ; CAS International Cooperation Key Program
DOI10.1016/j.jeurceramsoc.2019.09.042
Indexed BySCI
Language英语
Funding ProjectNational Science and Technology Major Project[2017-VI-0020-0093] ; National Key R&D Program of China[2017YFB0703201] ; Natural Science Foundation of China[51772302] ; CAS International Cooperation Key Program[174321KYSB20180008]
WOS Research AreaMaterials Science
WOS SubjectMaterials Science, Ceramics
WOS IDWOS:000523618300019
PublisherELSEVIER SCI LTD
Citation statistics
Cited Times:12[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/138134
Collection中国科学院金属研究所
Corresponding AuthorWang, Jingyang
Affiliation1.Chinese Acad Sci, Inst Met Res, Adv Ceram & Composites Div, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Li, Yiran,Wang, Jiemin,Wang, Jingyang. Theoretical investigation of phonon contributions to thermal expansion coefficients for rare earth monosilicates RE2SiO5 (RE = Dy, Ho, Er, Tm, Yb and Lu)[J]. JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,2020,40(7):2658-2666.
APA Li, Yiran,Wang, Jiemin,&Wang, Jingyang.(2020).Theoretical investigation of phonon contributions to thermal expansion coefficients for rare earth monosilicates RE2SiO5 (RE = Dy, Ho, Er, Tm, Yb and Lu).JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,40(7),2658-2666.
MLA Li, Yiran,et al."Theoretical investigation of phonon contributions to thermal expansion coefficients for rare earth monosilicates RE2SiO5 (RE = Dy, Ho, Er, Tm, Yb and Lu)".JOURNAL OF THE EUROPEAN CERAMIC SOCIETY 40.7(2020):2658-2666.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Li, Yiran]'s Articles
[Wang, Jiemin]'s Articles
[Wang, Jingyang]'s Articles
Baidu academic
Similar articles in Baidu academic
[Li, Yiran]'s Articles
[Wang, Jiemin]'s Articles
[Wang, Jingyang]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Li, Yiran]'s Articles
[Wang, Jiemin]'s Articles
[Wang, Jingyang]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.