A first principles investigation of environmental embrittlement of Co3Ti alloy
文献类型：期刊论文
| 作者 | G. Lu ; J. T. Guo ; K. Y. Chen ; Z. Q. Hu |
| 刊名 | Acta Materialia
 |
| 出版日期 | 1996 |
| 卷号 | 44期号:10页码:4019-4026 |
| 关键词 | grain-boundary embrittlement room-temperature ductility electronic-structure intermetallic compounds polycrystalline ni3al mechanical-properties boron behavior fracture sulfur |
| ISSN号 | 1359-6454 |
| 中文摘要 | The first principles discrete variational method (DVM) is used to investigate the alloying effect of Fe, Al and B on the environmental embrittlement of Ll(2) Co3Ti alloy. The values of the binding energy, Fermi energy, bond order, directionality of bonding and density of states are calculated and analyzed. By comparing the results of Fe, Al and B additions with those of the undoped Co3Ti alloy, we can examine the effects of alloying. The present calculations indicate that the addition of Fe and Al creates a more homogeneous electronic distribution at grain boundary and makes the grain boundary cluster less reactive with water. The effect of B on the bonding features is also discussed, the anti-bonding Co-B may suggest that B has little effect on improving the ductility of Co3Ti alloy. Copyright (C) 1996 Acta Metallurgica Inc. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/38359]  |
| 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 | G. Lu,J. T. Guo,K. Y. Chen,et al. A first principles investigation of environmental embrittlement of Co3Ti alloy[J]. Acta Materialia,1996,44(10):4019-4026. |
| APA | G. Lu,J. T. Guo,K. Y. Chen,&Z. Q. Hu.(1996).A first principles investigation of environmental embrittlement of Co3Ti alloy.Acta Materialia,44(10),4019-4026. |
| MLA | G. Lu,et al."A first principles investigation of environmental embrittlement of Co3Ti alloy".Acta Materialia 44.10(1996):4019-4026. |
入库方式： OAI收割
来源：金属研究所
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