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基于“团簇加连接原子”模型设计的Ni3Al基金属间化合物的显微组织和力学性能

刘林 许雅南 田权伟 滕宗延 徐朝晖 王轶农

刘林, 许雅南, 田权伟, 滕宗延, 徐朝晖, 王轶农. 基于“团簇加连接原子”模型设计的Ni3Al基金属间化合物的显微组织和力学性能[J]. 钢铁钒钛, 2022, 43(5): 171-177. doi: 10.7513/j.issn.1004-7638.2022.05.025
引用本文: 刘林, 许雅南, 田权伟, 滕宗延, 徐朝晖, 王轶农. 基于“团簇加连接原子”模型设计的Ni3Al基金属间化合物的显微组织和力学性能[J]. 钢铁钒钛, 2022, 43(5): 171-177. doi: 10.7513/j.issn.1004-7638.2022.05.025
Liu Lin, Xu Yanan, Tian Quanwei, Teng Zongyan, Xu Zhaohui, Wang Yinong. Microstructure and mechanical properties of Ni3Al based intermetallic designed based on 'cluster plus connected atom' model[J]. IRON STEEL VANADIUM TITANIUM, 2022, 43(5): 171-177. doi: 10.7513/j.issn.1004-7638.2022.05.025
Citation: Liu Lin, Xu Yanan, Tian Quanwei, Teng Zongyan, Xu Zhaohui, Wang Yinong. Microstructure and mechanical properties of Ni3Al based intermetallic designed based on 'cluster plus connected atom' model[J]. IRON STEEL VANADIUM TITANIUM, 2022, 43(5): 171-177. doi: 10.7513/j.issn.1004-7638.2022.05.025

基于“团簇加连接原子”模型设计的Ni3Al基金属间化合物的显微组织和力学性能

doi: 10.7513/j.issn.1004-7638.2022.05.025
详细信息
    作者简介:

    王轶农,1962年出生,男,辽宁大连人,博士,教授,通讯作者,工作方向:高温合金、高熵合金、镁合金、电子束层凝制备超纯净高均质高温合金,E-mail:wynmm@dlut.edu.cn

    通讯作者:

    王轶农,1962年出生,男,辽宁大连人,博士,教授,通讯作者,工作方向:高温合金、高熵合金、镁合金、电子束层凝制备超纯净高均质高温合金,E-mail:wynmm@dlut.edu.cn

  • 中图分类号: TF125.2,TG132

Microstructure and mechanical properties of Ni3Al based intermetallic designed based on 'cluster plus connected atom' model

  • 摘要: Ni3Al金属间化合物的室温脆性问题极大地限制了其应用。通过“团簇加连接原子”模型对Ni3Al金属间化合物进行成分和结构解析及成分设计,通过Co、Fe部分取代团簇壳层上的Ni,Ti部分取代连接原子Al,设计出六种合金。并对其显微组织及力学性能进行了表征。结果表明:六种合金的显微组织均由Ni3Al相(γ′相)、NiAl相(BCC)和少量共晶析出的第三相所构成,且通过TEM分析证实了基体为Ni3Al相。相比于Ni3Al金属间化合物,合金的室温强度、硬度和塑性均有大幅度的提升。分析其原因是由于基体为Ni3Al相,保持了合金基体的强度和硬度,当Ni3Al基体中析出少量的BCC相时,进一步提高合金的强度和硬度,而当BCC含量过高时,合金的强度和硬度降低,塑性升高。
  • 图  1  [Al-Ni12]团簇

    Figure  1.  [Al-Ni12] clusters

    图  2  铸态合金XRD衍射图谱

    Figure  2.  XRD diffraction pattern of as-cast alloy

    图  3  铸态合金的金相图谱

    Figure  3.  Metallographic map of as-cast alloy

    图  4  1#、2#合金的EPMA成分面分析图谱

    Figure  4.  EPMA mapping analysis of 1# and 2# alloy

    图  5  1#合金在不同区域的明场相(a和m),位置i和ii和iii的选区电子衍射花样(b,k,n),位置i的高分辨图像以及在图中区域Ⅱ傅里叶变化图像(c),位置ii的高分辨图像以及在图中Ⅲ区域的傅里叶变化图像(l),位置iii的高分辨图像以及在图中Ⅴ区域的傅里叶变化图像(o),Ⅰ区域的成分分布(d~j),区域Ⅳ成分分布(p~u)

    Figure  5.  The bright field phase (a and m) of 1# alloy in different regions, the selected area electron diffraction pattern (b, k, n) of positions i and ii and iii, the high-resolution image of position i and the FFT image (c) of region II in the figure, the high-resolution image of position ii and the FFT image (l) of region III in the figure, the high-resolution image of position iii and the FFT image (o) of region V in the figure, and the composition distribution (d-J) of the region I, regional IV component distribution (p-u)

    图  6  左图为Ni3Al金属间化合物室温拉伸和压缩曲线[4],右图为设计合金的室温压缩曲线

    Figure  6.  The left figure shows the tensile and compressive curves of Ni3Al intermetallics at room temperature[4],the right figure shows the room temperature compression curve of the alloy designed in this paper

    表  2  各合金的实际化学成分组成

    Table  2.   Actual chemical compositions of each alloy %

    合金NiCoFeAlTi
    1#41.53533.9986.146.66611.661
    2#42.51935.4966.33110.0995.555
    3#47.75127.9946.8356.40911.011
    4#49.09928.4296.50210.0845.886
    5#54.60121.1976.3716.3611.471
    6#56.40721.3566.4689.975.799
    下载: 导出CSV

    表  1  基于团簇加连接原子模型设计的合金成分

    Table  1.   Alloy composition list based on cluster plus linked atom model

    合金原子替换原子百分比/%加B后的原子百分比/%加B后的质量百分比/%
    1#[Al-(Ni6-Co5-Fe)]AlTi2Ni37.5Co31.25Fe6.25Al12.5Ti12.5(Ni37.5Co31.25Fe6.25Al12.5Ti12.5)98B2Ni41.2Co34.4Fe6.5Al6.3Ti11.2B0.4
    2#[Al-(Ni6-Co5-Fe)]Al2TiNi37.5Co31.25Fe6.25Al18.75Ti6.2(Ni37.5Co31.25Fe6.25Al18.75Ti6.25)98BNi42.2Co35.3Fe6.7Al9.7Ti5.7B0.4
    3#[Al-(Ni7-Co4-Fe)]AlTi2Ni43.75Co25Fe6.25Al12.5Ti12.5(Ni43.75Co25Fe6.25Al12.5Ti12.5)98B2Ni48Co27.6Fe6.5Al6.3Ti11.2B0.4
    4#[Al-(Ni7-Co4-Fe)]Al2TiNi43.75Co25Fe6.25Al18.75Ti6.25(Ni43.75Co25Fe6.25Al18.75Ti6.25)98B2Ni49.2Co28.3Fe6.7Al9.7Ti5.7B0.4
    5#[Al-(Ni8-Co3-Fe)]AlTi2Ni50Co18.75Fe6.25Al12.5Ti12.5(Ni50Co18.75Fe6.25Al12.5Ti12.5)98B2Ni54.9Co20.7Fe6.5Al6.3Ti11.2B0.4
    6#[Al-(Ni8-Co3-Fe)]Al2TiNi50Co18.75Fe6.25Al18.75Ti6.25(Ni50Co18.75Fe6.25Al18.75Ti6.25)98B2Ni56.3Co21.2Fe6.7Al9.7Ti5.7B0.4
    下载: 导出CSV

    表  3  合金各相所占体积分数

    Table  3.   Volume fraction of each phase in the alloy

    合金体积分数/%
    NiAl相Ni3Al相第三相
    1#29656
    2#46504
    3#27685
    4#44524
    5#8884
    6#42544
    下载: 导出CSV

    表  4  合金的显微硬度

    Table  4.   Microhardness of alloy

    合金显微硬度(HV)屈服强度/MPa最大压缩率/%
    1#558135029
    2#500120030
    3#528125034
    4#484105035
    5#508110037
    6#47090037
    下载: 导出CSV
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  • 收稿日期:  2022-05-16
  • 刊出日期:  2022-11-01

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