Fe-1.24%Cu-0.62%Ni合金拉伸性能的分子动力学模拟Molecular dynamics simulation of tensile properties of Fe-1.24%Cu-0.62%Ni alloy
刘珂,胡丽娟,冯炫凯,张巧凤,高超,董海英,梁婉怡,谢耀平
摘要(Abstract):
利用分子动力学方法研究了Fe-1.24%Cu-0.62%Ni合金经773 K时效不同时间拉伸性能的变化。通过模拟时效前后Fe-1.24%Cu-0.62%Ni合金的单轴拉伸过程,得到对应的应力-应变曲线,结合共同近邻分析,得到了富铜团簇对Fe-1.24%Cu-0.62%Ni合金拉伸性能的影响。结果表明:在单轴拉伸过程中,滑移带首先在富Cu团簇聚集区域产生,并且诱发了体心立方结构向面心立方或密排六方结构(BCC→FCC/HCP)的转变,从而导致Fe-1.24%Cu-0.62%Ni合金断裂。此外,在时效过程中随着富铜团簇的增大,Fe-1.24%Cu-0.62%Ni合金的屈服强度降低。
关键词(KeyWords): 分子动力学;Fe-1.24%Cu-0.62%Ni合金;富Cu团簇;应力-应变;结构转变
基金项目(Foundation): 国家自然科学基金(51301102);; 上海市自然科学基金(15ZR1416000)
作者(Author): 刘珂,胡丽娟,冯炫凯,张巧凤,高超,董海英,梁婉怡,谢耀平
DOI: 10.13289/j.issn.1009-6264.2017-0102
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