Mn含量对Fe2B性能的影响及其对[式略]/Fe2B界面的影响,Vacuum

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Mn含量对Fe2B性能的影响及其对[式略]/Fe2B界面的影响
Vacuum ( IF 3.8 ) Pub Date : 2024-02-24 , DOI: 10.1016/j.vacuum.2024.113056
Maiping Yan , Xiaoli Shi , He Wei , Yehua Jiang , Jing Feng , Kuaishe Wang

Fe-B合金广泛应用于耐磨领域，其析出相与基体的协同性能备受关注。本研究利用第一性原理计算研究了Mn对Fe-B合金中FeB析出相的热力学和力学性能的影响，以及Mn在调节基体α-FeC和FeB之间界面的作用。沉淀相。计算结果表明，在不同的锰浓度下，形成焓仍然为负。 FeB 的泊松比测量为 0.2245。然而，在Mn掺杂下，泊松比随Mn含量的变化而变化，其中FeMnB的泊松比最高，达到0.3157，显着增加了40.62%。界面性能计算表明α-FeC/FeB的界面能为0.4172 eV/Å，粘附能为-0.1984 eV/Å。在界面处掺杂Mn后，掺杂界面能降低至-3.5393 eV/Å，掺杂粘合能增加至1.6975 eV/Å，显着增强了界面结合。总之，Mn能够提高FeB的延展性，增强基体和析出物之间的界面结合，从而提高Fe-B合金的耐磨性。

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The influence of Mn content on Fe2B properties and its impact at the [formula omitted] /Fe2B interface

Fe–B alloy is widely used in the field of wear resistance, and the collaborative performance of their precipitated phases and the matrix is of significant interest. This study utilizes first-principles calculations to investigate the influence of Mn on the thermodynamic and mechanical properties of the FeB precipitated phase within Fe–B alloys, as well as the role of Mn in regulating the interface between the matrix α-FeC and the FeB precipitated phase. The computational results reveal that the formation enthalpy remains negative at varying Mn concentrations. The Poisson's ratio of FeB is measured at 0.2245. However, under Mn doping, the Poisson's ratio varies with Mn content, with FeMnB exhibiting the highest Poisson's ratio, reaching 0.3157, representing a remarkable 40.62% increase. Interface performance calculations indicate that the interface energy of α-FeC/FeB is 0.4172 eV/Å, with an adhesive energy of −0.1984 eV/Å. Upon Mn doping at the interface, the doped interface energy decreases to −3.5393 eV/Å, and the doped adhesive energy increases to 1.6975 eV/Å, significantly enhancing interface binding. In conclusion, Mn has the capacity to improve the ductility of FeB and enhance the interface binding between the matrix and the precipitates, consequently increasing the wear resistance of Fe–B alloys.

更新日期：2024-02-24

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