Phase formation capability and compositional design of β-phase multiple rare-earth principal component disilicates
文献类型：期刊论文
| 作者 | Yixiu Luo1; Luchao Sun1; Jiemin Wang1; Tiefeng Du1; Cui Zhou1; Jie Zhang1; Jingyang Wang1 |
| 刊名 | NATURE COMMUNICATIONS
 |
| 卷号 | 14期号:1 |
| ISSN号 | 2041-1723 |
| 英文摘要 | A key strategy to design environmental barrier coatings focuses on doping multiple rare-earth principal components into β-type rare-earth disilicates (RE 2 Si 2 O 7 ) to achieve versatile property optimization. However, controlling the phase formation capability of ( n RE xi ) 2 Si 2 O 7 remains a crucial challenge, due to the complex polymorphic phase competitions and evolutions led by different RE 3+ combination. Herein, by fabricating twenty-one model (RE I 0.25 RE II 0.25 RE III 0.25 RE IV 0.25 ) 2 Si 2 O 7 compounds, we find that their formation capability can be evaluated by the ability to accommodate configurational randomness of multiple RE 3+ cations in β-type lattice while preventing the β-to-γ polymorphic transformation. The phase formation and stabilization are controlled by the average RE 3+ radius and the deviations of different RE 3+ combinations. Subsequently, based on high-throughput density-functional-theory calculations, we propose that the configurational entropy of mixing is a reliable descriptor to predict the phase formation of β-type ( n RE xi ) 2 Si 2 O 7 . The results may accelerate the design of ( n RE xi ) 2 Si 2 O 7 materials with tailored compositions and controlled polymorphic phases. |
| 语种 | 英语 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/177211]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 作者单位 | 1.中国科学院金属研究所 2.中国科学技术大学 |
| 推荐引用方式 GB/T 7714 | Yixiu Luo,Luchao Sun,Jiemin Wang,et al. Phase formation capability and compositional design of β-phase multiple rare-earth principal component disilicates[J]. NATURE COMMUNICATIONS,14(1). |
| APA | Yixiu Luo.,Luchao Sun.,Jiemin Wang.,Tiefeng Du.,Cui Zhou.,...&Jingyang Wang. |
| MLA | Yixiu Luo,et al."Phase formation capability and compositional design of β-phase multiple rare-earth principal component disilicates".NATURE COMMUNICATIONS 14.1 |
入库方式： OAI收割
来源：金属研究所
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