激光冲击强化单晶Ni3Al合金分子动力学仿真  

Molecular Dynamics Simulation of Single Crystal Ni3Al Alloy During Laser Shock Peening

作　　者：孙毓振 郑海忠[1] 耿永祥 李贵发[1] 肖怡新 Sun Yuzhen;Zheng Haizhong;Geng Yongxiang;Li Guifa;Xiao Yixin(School of Materials Science and Engineering,Nanchang Hangkong University,Nanchang 330063,China)

机构地区：[1]南昌航空大学材料科学与工程学院,江西南昌330063

出　　处：《稀有金属材料与工程》2023年第6期2118-2125,共8页Rare Metal Materials and Engineering

基　　金：国家自然科学基金(52071172,51361026);江西省自然科学基金青年基金(20212BAB214037)。

摘　　要：镍基单晶高温合金因具有高体积分数的L12结构γʹ(Ni3Al)相而具有优异的综合力学性能。为研究激光冲击下γʹ相的微观组织演变规律,采用分子动力学方法构建了单晶Ni3Al分子动力学模型,分析了[100]、[110]、[111]3种不同晶向上的微观组织演变行为。结果表明:[100]晶向冲击时,其塑性变形机制为fcc相向bcc相转变,并随着冲击压力的增大bcc相含量也随之增加;[110]和[111]晶向冲击时,其塑性变形机制为位错滑移,其中[110]晶向滑移系主要为(111)[011]和(111)[011],而[111]晶向滑移系主要为(111)[101]和(111)[101],产生的位错主要为1/6<112>(Shockley),但随着冲击压力的增加,塑性变形机制为fcc相向bcc相转变,同时产生无序结构。Excellent mechanical properties of nickel-based single crystal superalloy are mainly attributed to its ordered L12 structure ofγʹ(Ni3Al)phase.In order to study the effect of laser shock on the microstructure evolution ofγʹphase,the molecular dynamics model of single crystal Ni3Al was constructed by molecular dynamics method,and the microstructure evolution behavior along[100],[110]and[111]crystal directions was analyzed.The results show that the plastic deformation mechanism of[100]crystal shock is the transformation from fcc phase to bcc phase,and the content of bcc phase is increased with increasing the shock pressure.The plastic deformation mechanism of[110]and[111]crystal direction shock is dislocation slip,and the[110]crystal direction slip system is mainly(111)[011]and(111)[011].The[111]crystal slip system is mainly(111)[101]and(111)[101],and the produced dislocations are mainly 1/6<112>(Shockley).However,with increasing the impact pressure,the plastic deformation mechanism is the transformation from fcc phase to bcc phase,and the disordered structure is produced at the same time.

关 键 词：单晶Ni3Al 激光冲击 分子动力学 微观机制 

分 类 号：TG132.33[一般工业技术—材料科学与工程] TG146.15[金属学及工艺—合金]