| NiAl金属间化合物力学性质的合金化效应 |
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| 引用本文： | 彭平,胡艳军,李贵发,周惦武,陈律. NiAl金属间化合物力学性质的合金化效应[J]. 湖南大学学报(自然科学版), 2006, 33(3): 84-88 |
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| 作者姓名： | 彭平 胡艳军 李贵发 周惦武 陈律 |
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| 作者单位： | 湖南大学,材料科学与工程学院,湖南,长沙,410082;湖南大学,材料科学与工程学院,湖南,长沙,410082;湖南大学,材料科学与工程学院,湖南,长沙,410082;湖南大学,材料科学与工程学院,湖南,长沙,410082;湖南大学,材料科学与工程学院,湖南,长沙,410082 |
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| 基金项目： | 国家重点基础研究发展规划资助项目(TG2000067105)，教育部科技重点资助项目(104139) |
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| 摘 要： | 采用第一原理赝势平面波方法计算了NiAl超胞合金化的几何与力学性质结构,应用几个力学参数表征和评判了合金化元素对NiAl金属间化合物延/脆性及其硬度的影响.结果发现:Cr,Mn,Fe,Co和Cu合金化均可提高NiAl金属间化合物的硬度,其增加次序为:Mn>Co>Fe>Cr>Cu,但合金化元素含量过高(6.25at%),却使NiAl金属间化合物的延展性降低,其降低次序与硬度增加的次序相反.
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| 关 键 词： | 金属间化合物 第一原理计算 合金化 弹性模量 |
| 文章编号： | 1000-2472（2006）03-0084-05 |
| 收稿时间： | 2005-03-08 |
| 修稿时间： | 2005-03-08 |
Alloying Effects of the Mechanical Properties of B2-NiAl Intermetallic Compound |
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| PENG Ping,HU Yan-Jun,LI Gui-f,ZHOU Dian-wu,CHEN Lu. Alloying Effects of the Mechanical Properties of B2-NiAl Intermetallic Compound[J]. Journal of Hunan University(Naturnal Science), 2006, 33(3): 84-88 |
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| Authors: | PENG Ping HU Yan-Jun LI Gui-f ZHOU Dian-wu CHEN Lu |
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| Affiliation: | College of Materials Science and Engineering, Hunan Univ, Changsha, Hunan 410082, China |
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| Abstract: | The geometrical and electronic structures of NiAl supercells were calculated by the first-principle pseudopotential plane wave methods based on the density fuctional theory.Several mechanical parameters were used to characterize and assess the alloying effect of the element on the brittle or ductile behavior as well as the hardness of NiAl intermetallic compounds.The result showed that addition of Cr or Mn,Fe,Co,Cu could enhance the hardness of compounds in the following order: Cu,Cr,Fe,Co,Mn,but the ductity of compounds decreased with an opposite order to the increase of their hardness because of their high contents of addition(eg.6.25at%). |
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| Keywords: | intellmetallic compound first-principle calculation alloying elastic modulus |
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