Ni-Al-Cr原子间近邻作用势及沉淀过程的相场法模拟  

Ni-Al-Cr neighbor potentials and precipitation morphology by phase-field theory

作　　者：董卫平[1,2] 胡海磊 汪彬[1,2] 王琳琳[1,2] 陈铮[3] DONG Wei-ping;HU Hai-lei;WANG Bin;WANG Lin-lin;CHEN Zheng(College of Engineering,Zhejiang Normal University,Jinhua 321004,China;Key Laboratory of Intelligent Operation and Maintenance Technology and Equipment for Urban Rail Transit of Zhejiang Province,Zhejiang Normal University,Jinhua 321004,China;College of Material,Northwestern Polytechnical University,Xi’an 710072,China)

机构地区：[1]浙江师范大学工学院,金华321004 [2]浙江师范大学浙江省城市轨道交通智能运维技术与装备重点实验室,金华321004 [3]西北工业大学材料学院,西安710072

出　　处：《中国有色金属学报》2020年第10期2360-2368,共9页The Chinese Journal of Nonferrous Metals

基　　金：浙江省自然科学基金资助项目(LY18E010002);浙江省基础公益研究计划资助项目(LGG18E050010)。

摘　　要：基于微观相场理论研究了不同原子间近邻作用势(W)对Ni-Al-Cr合金析出过程和微观结构的影响。根据原子间近邻作用势与长程序参数方程的L10、L12和D022相的原子间近邻作用势公式,计算出Ni-Al-Cr合金的L10、L12和D022相的不同原子间近邻作用势。结果表明:随着温度的增长/减小,原子间近邻作用势近似呈线性增长/减小;随着溶质原子浓度的增长以及长程序参数的增大,原子间近邻作用势均呈上升趋势;Ni-Al、Ni-Cr、Cr-Al原子间近邻作用势的变化对L10、L12和D022析出相的沉淀形貌和体积分数的影响也各不相同:Ni-Al的第二近邻作用势的变化对于沉淀形貌和体积分数几乎无影响,而Ni-Cr第四近邻作用势的变化对沉淀形貌和体积分数的影响非常大。同时发现与其他方法相比,所得不同原子间近邻作用势结果近似,且沉淀形貌与实验结果吻合。The effects of different interatomic potentials to the precipitation process and microstructure of Ni-Al-Cr alloy based on the microscopic phase-field theory were investigated.According to the formula of the interatomic nearest neighbor interaction potentials of L10,L12 and D022 phases and the long range order parameter equation,the different interatomic potentials of L10,L12 and D022 phases in Ni-Al-Cr alloy were calculated.The results indicate that,with the change of temperature,the interatomic potentials change as well.With the concentrations of Al and Cr increase,the interatomic potentials increase as well.The changes of interatomic potentials of Ni-Al,Ni-Cr and Cr-Al have different effects on precipitation morphologies and volume fractions of L10 phase,L12 phase and D022 phase,for example,the change of the second neighbor potential of Ni-Al has no effect on the results.However,there is a great effect to precipitation morphology and volume fraction when the forth neighbor potential of Ni-Cr changes.Moreover,compared with other methods,the result of interatomic potential of this paper is close to their results,and the result of simulation is also similar to that of the experiment.

关 键 词：Ni-Al-Cr合金 微观相场理论 原子间近邻作用势 析出相 沉淀形貌 

分 类 号：TG111.5[金属学及工艺—物理冶金]