V-Ta合金力学行为的计算与实验研究(英文)  

Computational and Experimental Study on Mechanical Behavior of V-Ta Alloys

作　　者：陈金繁[1] 罗超[1] 敖冰云[1] 彭丽霞[1] 石洁[1] 

机构地区：[1]表面物理与化学重点实验室,四川绵阳621907

出　　处：《计算物理》2014年第5期609-616,共8页Chinese Journal of Computational Physics

基　　金：Supported by Open Foundation of China Academy of Engineering Physics(2010B0302043,2012B0301046)

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.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.

关 键 词：V合金 第一性原理计算 力学行为 合金设计 

分 类 号：O469[理学—凝聚态物理]