| V-Ta合金力学行为的计算与实验研究 |
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| 引用本文： | 陈金繁,罗超,敖冰云,彭丽霞,石洁.V-Ta合金力学行为的计算与实验研究[J].计算物理,2014,31(5):609-616. |
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| 作者姓名： | 陈金繁 罗超 敖冰云 彭丽霞 石洁 |
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| 作者单位： | 表面物理与化学重点实验室, 四川 绵阳 621907 |
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| 基金项目： | Supported by Open Foundation of China Academy of Engineering Physics(2010B0302043,2012B0301046) |
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| 摘 要： | 用第一性原理方法计算V-Ta合金体系的弹性常数并对其力学性能进行评估.计算得到的杨氏模量、剪切模量、柯西压力及体模量与剪切模量等表明当合金中Ta的含量在10 wt.%左右时,合金具有较高的强度和良好的塑性.为了检验计算结果,合成了V-10 wt.%Ta,V-15 wt.%Ta,V-20 wt.%Ta等不同Ta含量体系,并对其力学性能进行表征,实验所得结果与计算相吻合,为通过计算设计合金提供了一种可行思路.
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| 关 键 词： | V合金 第一性原理计算 力学行为 合金设计 |
| 收稿时间： | 2013-09-23 |
| 修稿时间： | 2013-12-22 |
Computational and Experimental Study on Mechanical Behavior of V-Ta Alloys |
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| CHEN Jinfan,LUO Chao,AO Bingyun,PENG Lixia,SHI Jie.Computational and Experimental Study on Mechanical Behavior of V-Ta Alloys[J].Chinese Journal of Computational Physics,2014,31(5):609-616. |
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| Authors: | CHEN Jinfan LUO Chao AO Bingyun PENG Lixia SHI Jie |
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| Institution: | Science and Technology on Surface Physics and Chemistry Laboratory, Mianyang 621907, China |
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| Abstract: | First-principles calculations on mechanical behavior of V-Ta( Ta=0 to~20 wt. %) alloys are performed. Calculated Young's modulus,shear modulus,Cauchy pressure and bulk modulus/shear modulus indicate that as content of Ta is around 10 wt. %,V-Ta alloy shows good mechanical properties with large strength and good ductility. To examine calculation predictions,binary V-Ta alloys including V-10 wt. % Ta,V-15 wt. % Ta,V-20 wt. % Ta were processed and tested at room temperature. Computational results agree with experiment well. It indicates that the approach is a promising way for alloy design. |
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| Keywords: | V-based alloys first-principles calculations mechanical behavior alloy design |
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