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激光冲击强化单晶Ni3Al合金分子动力学仿真
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南昌航空大学 材料科学与工程学院

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国家自然科学基金资助(项目号52071172, 51361026)江西省自然科学基金青年20212BAB214037


Molecular dynamics simulation of laser shock peening single crystal Ni3Al
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1. School of Materials Science and Engineering,Nanchang HangKong University

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    摘要:

    镍基单晶高温合金因具有高体积分数的L12结构γ?(Ni3Al)相而具有优异的综合力学性能。为研究激光冲击下γ?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]三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 (1)[011]和 (11)[01],而[111]晶向滑移系主要为 (1)[10]和 (11)[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。

    Abstract:

    The excellent mechanical properties of nickel base single crystal superalloy are mainly due to its ordered L12 structure γ? (Ni3Al). In order to study the effect of laser shock γ?, the molecular dynamics model of single crystal Ni3Al was constructed by molecular dynamics method, and the microstructure evolution behaviors of [100], [110] and [111] were 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 increases with the increase of 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 (1)[011] and (11)[01], The [111] crystal slip system is mainly (1)[10] and (11)[101],the dislocations produced are mainly 1/6<112>(Shockley). However, with the increase of impact pressure, the plastic deformation mechanism is the transformation from FCC phase to BCC phase, and disordered structure is produced at the same time.

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孙毓振,郑海忠,耿永祥,李贵发,肖怡新.激光冲击强化单晶Ni3Al合金分子动力学仿真[J].稀有金属材料与工程,2023,52(6):2118~2125.[Sun Yuzhen, Zheng Haizhong, Geng Yongxiang, Li Guifa, Xiao Yixin. Molecular dynamics simulation of laser shock peening single crystal Ni3Al[J]. Rare Metal Materials and Engineering,2023,52(6):2118~2125.]
DOI:10.12442/j. issn.1002-185X.20220406

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  • 收稿日期:2022-05-10
  • 最后修改日期:2022-06-10
  • 录用日期:2022-07-11
  • 在线发布日期: 2023-07-07
  • 出版日期: 2023-06-30