| Co、Ni和Ga合金化对DO_(19)-Ti_3Al弹性性能影响的第一性原理研究 |
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| 引用本文： | 张超彦,张丽霞,侯华.Co、Ni和Ga合金化对DO_(19)-Ti_3Al弹性性能影响的第一性原理研究[J].原子与分子物理学报,2019,36(6):1025-1030. |
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| 作者姓名： | 张超彦 张丽霞 侯华 |
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| 作者单位： | 徐州工业职业技术学院,徐州工业职业技术学院,徐州工业职业技术学院 |
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| 基金项目： | 国家自然科学基金,高等学校优秀青年教师教学、科研奖励基金 |
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| 摘 要： | 采用第一性原理的方法研究了Co、Ni和Ga元素对DO_(19)-Ti_3Al晶体的弹性性能的影响,结果表明:Co和Ni原子倾向于置换Ti原子而Ga原子则更倾向于置换Al原子;Co和Ni元素固溶可以减弱晶体内部电子杂化效应从而增大Ti_3Al晶体的本征塑性,其中Co元素的对晶体的本征塑性的增大效果显著;Ga元素固溶后Ti_3Al晶体的强度和硬度将得到提高.
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| 关 键 词： | 合金化 Ti3Al 第一性 弹性性能 |
| 收稿时间： | 2018/10/23 0:00:00 |
| 修稿时间： | 2018/11/19 0:00:00 |
First-principles study on the elastic properties of Do19-Ti3Al by the Co, Ni and Ga alloying |
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| Zhang Chao-Yan,Zhang Li-Xia and Hou Hua.First-principles study on the elastic properties of Do19-Ti3Al by the Co, Ni and Ga alloying[J].Journal of Atomic and Molecular Physics,2019,36(6):1025-1030. |
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| Authors: | Zhang Chao-Yan Zhang Li-Xia and Hou Hua |
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| Institution: | Xuzhou College of Industrial Technology,Xuzhou College of Industrial Technology and Xuzhou College of Industrial Technology |
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| Abstract: | The effects of Co, Ni and Ga elements on the elastic properties of Ti3Al crystals were investigated by first-principles method. The results show that Co and Ni atoms tend to displace Ti atoms and Ga atoms tend to displace Al atoms; The solid solution of Co and Ni can weaken the internal electron hybridization effect of the crystal and increase the intrinsic plasticity of Ti3Al crystal. The effect of Co element is the best. The strength and hardness of Ti3Al crystal will be improved after the solid solution of Ga element. |
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