| Energetic effects of dopants on the eutectoid decomposition of Nb-Si in situ composites | |
| Y. Chen; Q. M. Hu; R. Yang | |
| 2011 | |
| 发表期刊 | Philosophical Magazine Letters
 |
| ISSN | 0950-0839 |
| 卷号 | 91期号:10页码:640-647 |
| 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. |
| 部门归属 | [chen, yue; hu, qing-miao; yang, rui] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china.;chen, y (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china;yuechen@imr.ac.cn |
| 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 |
| URL | 查看原文 |
| WOS记录号 | WOS:000294889200001 |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.imr.ac.cn/handle/321006/30273 |
| 专题 | 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. |
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