镍基高温合金中γ/θ相界面性能的数值模拟  

Numerical Simulation for γ/θ Interface Properties of Ni Base Superalloy

作　　者：董卫平[1] 王琳琳[1] 王晓明[1] 张明义 陈铮[3] Dong Weiping;Wang Linlin;Wang Xiaoming;Zhang Mingyi;Chen Zheng(Zhejiang Normal University,Jinhua 321004,China;China Academy of Engineering Physics,Mianyang 621900,China;State Key Laboratory of Solidification Processing,Northwestern Polytechnical University,Xi'an 710072,China)

机构地区：[1]浙江师范大学,浙江金华321004 [2]中国工程物理研究院,四川绵阳621900 [3]西北工业大学凝固技术国家重点实验室,陕西西安710072

出　　处：《稀有金属材料与工程》2019年第5期1529-1533,共5页Rare Metal Materials and Engineering

基　　金：国家自然科学基金(51501165);浙江省自然科学基金一般项目(LY18E010002,LY17E010002)

摘　　要：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A1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。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 increasing,the interfacial energy increases while the work of separation decreases;with the concentration of V atoms increasing,the interfacial energy increases first and then decreases;but the change of atomic concentration has little effect on the work of separation;and the interfacial energy and the work of separation are closely related to the interfacial migration.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,so the research has great guiding significance to the alloy design.

关 键 词：界面 界面能 界面分离能 界面迁移 镍基高温合金 

分 类 号：TG111.5[金属学及工艺—物理冶金] TG146.15[金属学及工艺—金属学]