锆扩散连接行为的分子动力学研究  

Molecular dynamics study on diffusion bonding behavior of zirconium

作　　者：郑佳琳 姜森宝 汤泽军[3] 叶福田 李细锋 ZHENG Jia-lin;JIANG Sen-bao;TANG Ze-jun;YE Fu-tian;LI Xi-feng(Institute of Forming Technology&Equipment,School of Materials Science and Engineering,Shanghai Jiao Tong University,Shanghai 200030,China;Chengdu Aircraft Industrial(Group)Co.,Ltd.,Chengdu 610092,China;School of Mechanical and Electrical Engineering,Nanjing University of Aeronautics and Astronautics,Nanjing 210016,China;Dongguan Hengli Die&Mold Technological Industry Development Company Ltd.,Dongguan 523460,China)

机构地区：[1]上海交通大学材料科学与工程学院塑性成形技术与装备研究院,上海200030 [2]成都飞机工业(集团)有限责任公司,四川成都610092 [3]南京航空航天大学机电学院,江苏南京210016 [4]东莞市横沥模具科技产业发展有限公司,广东东莞523460

出　　处：《塑性工程学报》2023年第11期116-125,共10页Journal of Plasticity Engineering

基　　金：NSFC-辽宁联合基金资助项目(U1908229)。

摘　　要：为了从原子尺度阐明置氢诱导锆及其合金扩散连接性能改善的机制,对锆在不同扩散连接温度以及不同氢含量下的扩散连接过程进行了分子动力学模拟,研究了温度和氢含量对锆扩散连接行为的影响。结果表明,随着扩散连接温度的升高,锆原子的自扩散系数增加,最终获得连接件的扩散层厚度增加,但同时晶粒的平均尺寸也越大。置氢在锆晶格中引入了点阵畸变等缺陷,为锆原子提供了扩散的快速通道,因此有效地促进了锆原子的自扩散,且这种促进作用优于升高扩散连接温度带来的效果。当氢含量为0.5%时,750℃下锆的自扩散系数相比于未置氢锆提高了35倍,界面上的相互扩散更充分,扩散连接件中的扩散层厚度达到3.11 nm,相比于未置氢锆的扩散层厚度增加了343.37%。To clarify the mechanism of improvement of diffusion bonding(DB)properties of zirconium and its alloys induced by hydrogenation at the atomic scale,the molecular dynamics simulation of the DB process of zirconium at different DB temperatures and different hydrogen contents was performed,and the effects of temperature and hydrogen content on DB behavior of zirconium were investigated.The results show that with the increase of DB temperature,the self-diffusion coefficient of Zr atoms increases and the thickness of the diffusion layer of the final obtained bonded part increases.However,the average size of the grains increases at the same time.The hydrogenation introduces defects such as lattice distortion into the Zr crystal lattice,which provides fast channels for Zr atoms to diffuse.Therefore,the self-diffusion of Zr atoms is effectively promoted,which is better than that brought by increasing DB temperature.When the hydrogen content is 0.5%,the self-diffusion coefficient of Zr at 750℃is 35 times higher than that of unhydrogenated Zr.The interdiffusion at the interface is more adequate and the thickness of the diffusion layer reaches 3.11 nm,which is 343.37%higher than that of the unhydrogenated Zr.

关 键 词：分子动力学 扩散连接 置氢 锆 

分 类 号：TG146[一般工业技术—材料科学与工程]