Weiping,王琳琳,王晓明,陈铮.微观相场法反演Ni0.75AlxV0.25-x合金的原子间相互作用势[J].稀有金属材料与工程,2018,47(1):201~206.[Dong,WANG Linlin,WANG Xiaoming,CHEN Zheng.Inversion of the interatomic potential in Ni0.75AlxV0.25-x alloy by Microscopic Phase-Field Simulation[J].Rare Metal Materials and Engineering,2018,47(1):201~206.]
微观相场法反演Ni0.75AlxV0.25-x合金的原子间相互作用势
投稿时间:2016-12-07  修订日期:2017-04-07
中文关键词:  微观相场法  原子间相互作用势  Ni0.75AlxV0.25-x合金  反演  沉淀相
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(LY15E020006和LY17E010002)
中文摘要:
      采用微观相场法,利用Khachaturyan所给原子间相互作用势与长程序参数关系方程,计算出Ni0.75AlxV0.25-x合金L10、L12和DO22相第一近邻原子间相互作用势,并用计算的原子间相互作用势模拟了Ni0.75AlxV0.25-x合金沉淀过程以及最终形貌。计算结果表明, L10、L12和DO22相第一近邻原子间相互作用势随温度增大而增大,随浓度增大而增大,且计算得到的随温度和浓度变化的原子间相互作用势与之前的实验值符合较好。计算的原子间相互作用势的模拟结果能依次得到预析出相L10、稳定相L12和第二相DO22,且合金沉淀形貌与实验结果吻合。相场法反演原子间相互作用势,拓宽了相场法在合金设计中的应用范围。
Inversion of the interatomic potential in Ni0.75AlxV0.25-x alloy by Microscopic Phase-Field Simulation
英文关键词:Microscopic Phase-field method  interatomic potential  Ni0.75AlxV0.25-x alloy  inversion  precipitated phase
英文摘要:
      The first nearest neighbor interatomic potentials of Ni0.75AlxV0.25-x alloy’s for L10, L12 and DO22 phases were calculated out according to the formula which were referenced on the relation equation between interatomic potentials and long range order parameters by Khachaturyan. Then we simulated the precipitation process and the final morphology of Ni0.75AlxV0.25-x alloy using the calculated potentials based on the Microscopic Phase-field method. The results show that the interatomic potentials of L10, L12 and DO22 phases will increase while the temperatures or the atom’s concentration rise. And the interatomic potentials, which change with the temperature and the concentration, match well with the earlier values. The simulation results can obtain the pre-precipitation phase L10, the stable phase L12 and the second phase DO22. And the alloy precipitation morphology is found to be in agreement with the experimental result. The inversion of interatomic potentials by phase field method expands the application of the phase field method in the alloy design.
作者单位E-mail
Weiping 浙江师范大学工学院 dwp@zjnu.cn 
王琳琳 浙江师范大学  
王晓明 浙江师范大学  
陈铮 西北工业大学  
摘要点击次数: 379
全文下载次数: 114
查看全文  查看/发表评论  下载PDF阅读器
关闭