Energetic effects of dopants on the eutectoid decomposition of Nb-Si in situ composites
文献类型：期刊论文
| 作者 | Y. Chen ; Q. M. Hu ; R. Yang |
| 刊名 | Philosophical Magazine Letters
 |
| 出版日期 | 2011 |
| 卷号 | 91期号:10页码:640-647 |
| 关键词 | first-principles calculations density-functional theory phase stability Nb-Si-based superalloys heats of formation eutectoid decomposition initio molecular-dynamics phase-diagram microstructure ti alloys al system equilibria additions hf |
| ISSN号 | 0950-0839 |
| 中文摘要 | The influences of doping elements (Ti, Zr, Hf, V, Ta, Cr, Mo, Wand Al) on the heats of formation of Nb, Nb(5)Si(3) and Nb(3)Si have been studied using first-principles pseudopotential plane-wave method based on density functional theory. Site preferences of dopants in Nb(5)Si(3) and Nb(3)Si intermetallics are first determined by comparing the heats of formation of the systems with different site occupations of the doping atoms. The partitionings of dopants between the equilibrium phases Nb and Nb(5)Si(3) of Nb-Si in situ composites are then discussed and compared with experimental results. Phase partitioning behaviours of the alloying elements are found to depend strongly on the number of their valence electrons. By calculating the enthalpy of reaction regarding the eutectoid decomposition of Nb(3)Si phase, we conclude that Ta is a Nb(3)Si stabiliser while other dopants destabilise Nb(3)Si at the investigated concentration. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/30273]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | Y. Chen,Q. M. Hu,R. Yang. Energetic effects of dopants on the eutectoid decomposition of Nb-Si in situ composites[J]. Philosophical Magazine Letters,2011,91(10):640-647. |
| APA | Y. Chen,Q. M. Hu,&R. Yang.(2011).Energetic effects of dopants on the eutectoid decomposition of Nb-Si in situ composites.Philosophical Magazine Letters,91(10),640-647. |
| MLA | Y. Chen,et al."Energetic effects of dopants on the eutectoid decomposition of Nb-Si in situ composites".Philosophical Magazine Letters 91.10(2011):640-647. |
入库方式： OAI收割
来源：金属研究所
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