朱旭,江五贵,李源才,吕辉.Ni/Ni3Al拉伸力学性能的分子动力学模拟[J].稀有金属材料与工程,2021,50(4):1254~1262.[Xu Zhu,Wu-Gui Jiang,Yuan-Cai Li,Hui Lv.Molecular Dynamics Simulation of Tensile Mechanical Properties of Ni/Ni3Al[J].Rare Metal Materials and Engineering,2021,50(4):1254~1262.]
Ni/Ni3Al拉伸力学性能的分子动力学模拟
投稿时间:2020-03-05  修订日期:2020-05-07
中文关键词:  Ni/Ni[sub_s]3[sub_e]Al  γ′强化  温度效应  应变速率效应  分子动力学
基金项目:国家自然科学基金项目(面上项目,重点项目,重大项目)
中文摘要:
      采用分子动力学方法研究了Ni/Ni3Al的拉伸力学性能。首先模拟了在室温、恒定应变速率环境下γ′强化相的含量对Ni/Ni3Al拉伸力学性能的影响,重点研究了具有三种典型特征的γ′强化相含量下的Ni/Ni3Al微观组织演化。研究结果表明:相比于单晶Ni,γ′强化相可以提高Ni/Ni3Al的抗拉强度,这是因为在塑性变形过程中,随着位错的不断增殖,位错密度逐渐增大,导致位错塞积,增大了位错运动的阻力,提高了抗拉强度。接着研究了温度对Ni/Ni3Al拉伸力学性能的影响,发现Ni/Ni3Al-10 vol%Ni3Al的抗拉强度随着温度的升高呈下降趋势。这是因为随着温度的升高,原子内部动能增大,导致原子热运动越剧烈,原子间的结合力越弱,脱离平衡位置的原子来不及回到平衡位置,FCC结构转变为大量的HCP结构和其他无序原子排列结构,导致晶格畸变,降低了抗拉强度。最后研究了应变速率对Ni/Ni3Al的拉伸力学性能的影响,结果表明,抗拉强度对低应变速率不敏感,对高应变速率敏感。
Molecular Dynamics Simulation of Tensile Mechanical Properties of Ni/Ni3Al
英文关键词:Ni/Ni3Al  γ′ strengthening  Temperature effect  Strain rate effect  Molecular dynamics
英文摘要:
      The tensile mechanical properties of Ni/Ni3Al are simulated by molecular dynamics. First, the effect of the content of γ′ strengthening phase on the tensile mechanical properties of Ni/Ni3Al is studied at room temperature and constant strain rate. The microstructure evolution of Ni/Ni3Al under the content of γ′ strengthening phase with three typical characteristics is especially investigated. Compared with single crystal Ni, it is found that the γ′ strengthening phase can increase the tensile strength of Ni/Ni3Al. This is because during the plastic deformation process, as the dislocations continue to multiply, the dislocation density gradually increases, resulting in dislocation plugging, which increases the resistance to dislocation movement, thereby increasing the tensile strength. Secondly, temperature effect of the tensile mechanical properties of Ni/Ni3Al is studied, and it is found that the tensile strength of Ni/Ni3Al-10 vol%Ni3Al decreased with increasing temperature. This is because as the temperature increases, the internal kinetic energy of the atom increases, resulting in the more intense thermal motion of the atoms, and the weaker the bonding force between the atoms. The atoms leaving the equilibrium position have no time to return to the equilibrium position, and the FCC structure is transformed into a large number of HCP structures and other atomic arrangements, which cause lattice distortion and reduce tensile strength. Finally, the effect of strain rate on the tensile mechanical properties of Ni/Ni3Al is studied. The results show that the tensile strength is not sensitive to low strain rate, but sensitive to high strain rate.
作者单位E-mail
朱旭 南昌航空大学航空制造工程学院 2727619560@qq.com 
江五贵 南昌航空大学航空制造工程学院 jiangwugui@nchu.edu.cn 
李源才 南昌航空大学航空制造工程学院  
吕辉 南昌航空大学土木建筑学院  
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