一种新分组团簇动力学模型模拟铝合金中的Al_(3)Sc析出  

Precipitation Kinetics of Al_(3)Sc in Aluminum Alloys Modeled with a New Grouping Cluster Dynamics Model

作　　者：许坤 王海川[1] 孔辉[1] 吴朝阳[1] 张战[2] XU Kun;WANG Haichuan;KONG Hui;WU Zhaoyang;ZHANG Zhan(Key Laboratory of Metallurgical Emission Reduction&Resources Recyling,Ministry of Education,Anhui University of Technology,Ma􀆳anshan 243032,China;School of Materials and Metallurgy,Wuhan University of Science and Technology,Wuhan 430081,China)

机构地区：[1]安徽工业大学冶金减排与资源综合利用教育部重点实验室,马鞍山243032 [2]武汉科技大学材料与冶金学院,武汉430081

出　　处：《金属学报》2021年第6期822-830,共9页Acta Metallurgica Sinica

基　　金：国家自然科学基金项目Nos.U1960109、U1760117和51974004;安徽省留学回国人员创新创业扶持计划重点项目。

摘　　要：先详细介绍了未分组团簇动力学模型和已有的分组法,然后引入一种基于组内团簇密度对数线性分布的新方法。通过比较未分组和不同分组法的团簇动力学模型模拟300℃时Al-0.18%Sc(原子分数)合金中Al_(3)Sc的析出动力学的数值解,证实新的分组法能在保持良好整体和局部精度的前提下显著节约计算成本。新分组法的计算结果与等温析出实验测量的析出平均半径和尺寸分布结果能够比较合理地吻合,预期它在大尺度析出模拟时前景良好。Cluster dynamics is a mesoscopic modeling technique describing the various kinetic stages of homogeneous precipitation by the same set of rate equations.However,when the simulated cluster size continuously increases,it easily causes an enormous computational workload,and the use of a particle-size-grouping method is often necessary to solve this problem.In this study,an ungrouped cluster dynamics model and certain existing grouping methods are reviewed.Next,a new grouping method with an assumed logarithmically-linear distribution of cluster number densities inside each group size is proposed.Comparing the results of all grouped models with the exact solution of the ungrouped model for simulating aluminum-scandium(Al3Sc)precipitation in the Al-0.18%Sc(atomic fraction)alloy at 300℃,the new grouping method was able to reduce computational costs considerably keeping enough total and local accuracies.Moreover,the reasonable agreements of the mean radii and size distributions as func-tions of time between experiments and simulations were obtained,demonstrating the ability of the new grouping method in modeling large-scale precipitation kinetics.

关 键 词：析出动力学 团簇动力学模型 粒径分组法 AL-SC合金 均质析出 

分 类 号：TG146.2[一般工业技术—材料科学与工程]