Ab initio molecular dynamics study on thermal expansion of solid-solution compounds in MAX phase
文献类型：期刊论文
| 作者 | Hu Hai; Chen Xinzhu; Zhao Xiujian; Li Neng |
| 刊名 | COMPUTATIONAL MATERIALS SCIENCE
 |
| 出版日期 | 2015 |
| 英文摘要 | The thermal expansion (CTE) of the Cr-based solid-solution compounds in M(n+1)AX(n) phases is explored by ab initio molecular dynamics (AIMD) method. The calculated CTE and thermal expansion anisotropy (TEA) agree well with experimental measurement. The anisotropy is reduced considerably as exemplified in the case of Cr-2(Al0.667Ge0.333)C where the CTE of c axis is reduced from 11.2 x 10(-6)/K to 10.3 x 10(-6)/K. For (Cr1.833Ti0.167)AlC and (Cr1.333Ti0.667)AlC, the calculated results show that the Ti doping does reduce the average CTE of Cr2AlC from 12 to 11. This study demonstrates that a solid-solution approach is a route for tuning a physical property like the thermal expansion. |
| 收录类别 | SCI |
| 原文出处 | www.sciencedirect.com/science/article/pii/S0927025615002062 |
| 语种 | 英语 |
| 源URL | [http://ir.siat.ac.cn:8080/handle/172644/6572]  |
| 专题 | 深圳先进技术研究院_集成所 |
| 作者单位 | COMPUTATIONAL MATERIALS SCIENCE |
| 推荐引用方式 GB/T 7714 | Hu Hai,Chen Xinzhu,Zhao Xiujian,et al. Ab initio molecular dynamics study on thermal expansion of solid-solution compounds in MAX phase[J]. COMPUTATIONAL MATERIALS SCIENCE,2015. |
| APA | Hu Hai,Chen Xinzhu,Zhao Xiujian,&Li Neng.(2015).Ab initio molecular dynamics study on thermal expansion of solid-solution compounds in MAX phase.COMPUTATIONAL MATERIALS SCIENCE. |
| MLA | Hu Hai,et al."Ab initio molecular dynamics study on thermal expansion of solid-solution compounds in MAX phase".COMPUTATIONAL MATERIALS SCIENCE (2015). |
入库方式： OAI收割
来源：深圳先进技术研究院
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