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Effect of lattice distortion in high-entropy RE2Si2O7 and RE2SiO5 (RE=Ho, Er, Y, Yb, and Sc) on their thermal conductivity: Experimental and molecular dynamic simulation study

文献类型：期刊论文

作者Liu, Xiangyang3; Zhang, Peng3; Huang, Muzhang3; Han, Yi3; Xu, Na1; Li, Yi2,3; Zhang, Zijian3; Pan, Wei3; Wan, Chunlei3
刊名JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
出版日期2023-11-01
卷号43期号:14页码:6407-6415
关键词High-entropy Rare earth silicates Lattice distortion Thermal conductivity Atomistic simulation
ISSN号0955-2219
DOI10.1016/j.jeurceramsoc.2023.06.052
通讯作者Xu, Na(naxu@imr.ac.cn) ; Wan, Chunlei(wancl@mail.tsinghua.edu.cn)
英文摘要High-entropy materials are considered to be born with lattice distortion, which is still lack of comprehensive investigation in rare earth silicates to date. In this paper, we confirmed the existence of lattice distortions in highentropy rare-earth silicates via experiments and molecular dynamic simulations. The effects of the lattice distortion on the thermophysical properties are elucidated. Simulation results indicate the lattice distortion is present in both cation and anion sublattice, leading to the compressing and stretching of atomic bond as well as fluctuation of atomic bond strength. Accordingly, lattice distortion in the Si and O sublattice is also verified by the Raman spectra. Furthermore, the thermal conductivity of high-entropy rare earth silicates remarkably reduces and exhibits glass-like behavior, which is confirmed by experiments in cooperation with molecular dynamic simulations. Simulation also reveals that the lifetimes and group velocities of vibrational modes are significantly reduced by lattice distortion, which result in the reduction of overall thermal conductivity of highentropy rare-earth silicates.
资助项目National Key R amp; D Program of China[2021YFB3702300] ; National Natural Science Foundation of China[52022042] ; National Science and Technology Major Project[J2019-VII-0008-0148]
WOS研究方向Materials Science
语种英语
WOS记录号WOS:001043682800001
出版者ELSEVIER SCI LTD
资助机构National Key R amp; D Program of China ; National Natural Science Foundation of China ; National Science and Technology Major Project
源URL[http://ir.imr.ac.cn/handle/321006/178819]  
专题金属研究所_中国科学院金属研究所
通讯作者Xu, Na; Wan, Chunlei
作者单位1.Chinese Acad Sci, Inst Met Res, Shi Changxu Innovat Ctr Adv Mat, Wenhua Rd 72, Shenyang 110016, Peoples R China
2.Beijing Univ Chem Technol, Coll Math & Phys, Beijing 100029, Peoples R China
3.Tsinghua Univ, Sch Mat, State Key Lab New Ceram & Fine Proc, Sci & Engn, Beijing 100084, Peoples R China
推荐引用方式
GB/T 7714		 Liu, Xiangyang,Zhang, Peng,Huang, Muzhang,et al. Effect of lattice distortion in high-entropy RE2Si2O7 and RE2SiO5 (RE=Ho, Er, Y, Yb, and Sc) on their thermal conductivity: Experimental and molecular dynamic simulation study[J]. JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,2023,43(14):6407-6415.
APA Liu, Xiangyang.,Zhang, Peng.,Huang, Muzhang.,Han, Yi.,Xu, Na.,...&Wan, Chunlei.(2023).Effect of lattice distortion in high-entropy RE2Si2O7 and RE2SiO5 (RE=Ho, Er, Y, Yb, and Sc) on their thermal conductivity: Experimental and molecular dynamic simulation study.JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,43(14),6407-6415.
MLA Liu, Xiangyang,et al."Effect of lattice distortion in high-entropy RE2Si2O7 and RE2SiO5 (RE=Ho, Er, Y, Yb, and Sc) on their thermal conductivity: Experimental and molecular dynamic simulation study".JOURNAL OF THE EUROPEAN CERAMIC SOCIETY 43.14(2023):6407-6415.

入库方式： OAI收割

来源：金属研究所

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