董卫平,王琳琳,王晓明,张明义,陈铮.镍基高温合金中γ/θ相界面性能的数值模拟[J].稀有金属材料与工程,2019,48(5):1529~1533.[dongweiping,Wang Linlin,Wang Xiaoming,Zhang Mingyi,Chen Zheng.Numerical simulation of interface properties of γ/θ interface in Ni Base Superalloy[J].Rare Metal Materials and Engineering,2019,48(5):1529~1533.]
镍基高温合金中γ/θ相界面性能的数值模拟
投稿时间:2018-01-02  修订日期:2018-01-12
中文关键词:  界面  界面能  界面分离能  界面迁移  镍基高温合金
基金项目:国家自然科学基金资助(项目号51501165);浙江省自然科学基金一般项目(LY18E010002和LY17E010002)
中文摘要:
      本文采用分子动力学法以第二近邻嵌入原子势模型(2NN MEAM)的原子间相互作用势为输入参数,研究了Ni-Al-V高温合金中γ/θ-DO22相不同成分下的界面结构,并计算了界面处不同成分下的界面能和界面分离能。研究表明随Al原子浓度增大,界面能增大,界面分离能减少;随V原子浓度增大,界面能先增大后减小;而原子浓度改变对界面分离能影响较小;同时表明界面能和界面分离能与界面迁移密切相关。该结果可用于对Ni-Al-V高温合金沉淀过程界面的成分偏析,界面迁移等动态行为做进一步研究,对高温合金设计有极大的指导意义。
Numerical simulation of interface properties of γ/θ interface in Ni Base Superalloy
英文关键词:Interface  Interfacial energy  Work of separation  Interfacial migration  Nickel base superalloy
英文摘要:
      By using molecular dynamics method with the second nearest neighbor modified embedded-atom method (2NN MEAM) interatomic potential, we studied the γ/θ-DO22 interfacial structure of Ni-Al-V superalloy at different compositions, and calculated the interfacial energy and the work of separation on the interfaces. The research shows that with the Al atom concentration increases, the interfacial energy can increase while the work of separation can reduce; with the concentration of V atoms increases, the interfacial energy increases first and then decreases; but the change of atomic concentration has little effect at the work of separation; and the interfacial energy and the work of separation are closely related to the interfacial migration. It has great guiding significance to the alloy design that the results can be used to further study the dynamic behavior of Ni-Al-V superalloys in the process of precipitation, such as the composition segregation and interfacial migration.
作者单位E-mail
董卫平 浙江师范大学 dwp@zjnu.cn 
王琳琳 浙江师范大学  
王晓明 浙江师范大学  
张明义 中国工程物理研究院  
陈铮 西北工业大学  
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