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Ni3Al中Re诱导缺陷对螺位错交滑移的影响
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1.湖南工程学院计算科学与电子学院;2.湖南工程学院机械工程学院;3.湖南大学材料科学与工程学院

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TG146.1+5

基金项目:

国家自然科学基金资助(51871096,52071136)


Impact of defects induced by Re on screw dislocation cross-slip in Ni3Al
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National Natural Science Foundation of China (No. 51871096, 52071136)

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    摘要:

    Ni3Al的高温异常流变行为与超级部分位错的交滑移密切相关,本文利用第一性原理计算探究Re在Ni3Al晶体中的占位倾向及Re效应对Ni3Al中位错形核与运动的影响。由Re占据Ni3Al不同晶格点位所对应的点缺陷形成焓及能量因子,可知单个Re原子在Ni3Al中优先占据Al位,两个Re原子优先占据Al-Al位。通过对Ni3Al晶体和滑移系广义堆垛层错能的计算,发现Re原子占据Al位能促进超级部分位错的交滑移。两个Re原子垂直滑移方向排列比沿着滑移方向排列能有效阻碍位错形核与运动;两个Re原子排布在相邻原子面上比排列在同一个原子面上时会进一步促进螺位错的交滑移。分析缺陷和间的关联能对Ni3Al晶体超级部分位错交滑移的影响,结果表明缺陷和间较弱的交互作用有利于改善高温时Ni3Al的异常流变行为。Re原子优先占据Al位置提高Ni3Al的屈服强度能够归功于间的弱交互作用。

    Abstract:

    The anomalous flow behavior of Ni3Alat high temperature is closely related to the cross-slip of super-partial dislocations. Using a first-principles calculation, an impact of Re-effect on dislocation slip mediated creeps in the Ni3Al is investigated. The analysis of energy factors associated with the formation enthalpy of point defects reveals Re prefers to occupy Al sites, and the Re-Re pair prefers to occupy Al-Al sites in γ′-Ni3Al phase. By calculating the generalized stacking fault energies for and systems in Ni3Al, it is found that the Re occupying Al sites can promote the cross-slip of screw dislocations. A longitudinal arrangement of and defects should be able to effectively impede the nucleation and movement of dislocations compared with their horizontal layout. As their interaction is characterized and assessed by a correlation energy function between and point defects, a weak correlation is demonstrated to be favorable for the improvement of the anomalous flow of γ′ phases at high temperature. Re atoms preferentially occupy Al sites for the improvement of yield strengths of Ni3Al can be attributed to a weak repulsive interaction between and defects.

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易洲,胡佳,邓永和,陈义,文大东,高明,彭平. Ni3Al中Re诱导缺陷对螺位错交滑移的影响[J].稀有金属材料与工程,2022,51(10):3689~3698.[yi zhou, Hu Jia, Deng Yong-He, Chen Yi, Wen Da-Dong, Gao Ming, Peng Ping. Impact of defects induced by Re on screw dislocation cross-slip in Ni3Al[J]. Rare Metal Materials and Engineering,2022,51(10):3689~3698.]
DOI:10.12442/j. issn.1002-185X.20210841

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历史
  • 收稿日期:2021-09-23
  • 最后修改日期:2021-11-16
  • 录用日期:2022-01-22
  • 在线发布日期: 2022-11-01
  • 出版日期: 2022-10-28