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片层厚度对双相TiAl合金力学性能影响的纳米压痕分子动力学研究
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兰州理工大学 机电工程学院

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TG146.23

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国家自然科学基金项目(面上项目,重点项目,重大项目)


Molecular dynamics study of the effect of lamellar thickness on mechanical properties of Dual-phase TiAl alloy under nanoindentation
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    摘要:

    为研究纳米压痕过程中片层厚度和γ/α2相界对双相TiAl合金变形行为及力学性能的影响,本文针对5种不同厚度的双相TiAl合金模型,采用分子动力学的方法模拟计算了金刚石压头以垂直于γ/α2相界方向分别压入γ和α2相的纳米压痕过程。结果表明:材料的硬度随片层厚度的减小而增大,当片层厚度减小至7nm时,材料的硬度达到最大值,进一步减小片层厚度时,材料的硬度反而减小。材料的弹性模量也会随片层厚度的变化而改变,与硬度呈现正比关系。此外,在纳米压痕过程中,压头压入γ相时,变形行为以{111}面的层错为主,γ/α2相界会阻碍位错的运动;压头压入α2相时,变形行为以(0001)基面的堆垛层错为主,基面上Shockley不全位错的运动会导致材料表面产生相变,且棱柱面滑移被激活。

    Abstract:

    In order to investigate the effects of lamellar thickness and γ/α2 interface on the deformation and mechanical properties of dual-phase TiAl alloy during nano-indentation process, molecular dynamics method was used to simulate the nano-indentation process of γ and α2 phases with diamond indentation perpendicular to γ/α2 interface for five kinds of dual-phase TiAl alloy models. The results show that the hardness of the material increase with the decrease of the lamellar thickness. When the lamellar thickness decreases to 7nm, the hardness of the material reach the maximum value. However, when the lamellar thickness further decreases, the hardness of the material decrease. The elastic modulus of the material changes with the thickness of lamellar and is proportional to the hardness. In addition, the deformation behavior of γ phase in the nano-indentation process is mainly the stacking fault of {111} plane, and the γ/α2 interface can effectively hinder the dislocation movement. The deformation behavior of α2 phase is mainly the stacking fault of (0001) base plane. The Schockley partial dislocation motion formed on the base plane lead to the phase transformation on the material surface. The prismatic plane slip system is activated.

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刘兴华,芮执元,付蓉,曹卉,剡昌锋.片层厚度对双相TiAl合金力学性能影响的纳米压痕分子动力学研究[J].稀有金属材料与工程,2022,51(2):629~636.[liuxinghua, ruizhiyuan, furong, caohui, yanchangfeng. Molecular dynamics study of the effect of lamellar thickness on mechanical properties of Dual-phase TiAl alloy under nanoindentation[J]. Rare Metal Materials and Engineering,2022,51(2):629~636.]
DOI:10.12442/j. issn.1002-185X.20210125

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  • 收稿日期:2021-02-10
  • 最后修改日期:2021-04-17
  • 录用日期:2021-05-12
  • 在线发布日期: 2022-03-09
  • 出版日期: 2022-02-28