Role of Fe/Mn elements tuning in the shock dynamics of CoCrNi-based alloy

IF 7.1 1区工程技术 Q1 ENGINEERING, MECHANICAL International Journal of Mechanical Sciences Pub Date : 2024-07-21 DOI:10.1016/j.ijmecsci.2024.109585

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Abstract

Recent researches on concentrated solid solutions have emphasized the role of various solute interactions in determining anomalous dislocation core and plastic deformation. However, the influence path of element tuning under extreme conditions is still unclear. Here, we investigated shock-induced deformation and fracture in CoCrNi-based multi-principal element alloys (MPEAs) tuned by Fe/Mn elements using large-scale molecular dynamics simulations. It was found that Fe/Mn elements could reduce the defect nucleation barrier and improve the plastic deformability. When single-element tuning is applied, the Mn element significantly reduces the production of dislocations, favoring more phase transitions from FCC to BCC or amorphous phase. The results show that Mn significantly reduces the Hugoniot elastic limit (HEL) and spall strength, while the addition of Fe element to CoCrNiMn can alleviate this effect by reducing the degree of lattice distortion. Specially, we analyzed the relationship between void nucleation and shock wave propagation, and explained the single-negative-pressure-zone nucleation as well as complex double-negative-pressure-zone nucleation phenomena. Empirical equations for the spall strength of CoCrNi-based MPEAs adjusted by Fe/Mn elements were established. This work demonstrates a potential strategy for elemental tuning to tailor the mechanical properties of polymorphism in MPEAs.

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铁/锰元素调谐在 CoCrNi 基合金冲击动力学中的作用

最近对浓缩固溶体的研究强调了各种溶质相互作用在决定异常位错核心和塑性变形中的作用。然而，极端条件下元素调谐的影响路径仍不清楚。在此，我们利用大规模分子动力学模拟研究了由铁/锰元素调谐的钴铬镍基多主元素合金（MPEAs）中冲击诱导的变形和断裂。研究发现，Fe/Mn 元素可降低缺陷成核障碍，改善塑性变形能力。在应用单元素调谐时，锰元素能显著减少位错的产生，有利于从 FCC 到 BCC 或非晶相的更多相变。结果表明，锰元素会明显降低休格弹性极限（HEL）和剥落强度，而在钴铬镍锰中添加铁元素则可以通过降低晶格畸变程度来缓解这种影响。特别是，我们分析了空洞成核与冲击波传播之间的关系，解释了单负压区成核以及复杂的双负压区成核现象。建立了由铁/锰元素调整的钴铬镍基 MPEA 的剥落强度经验方程。这项工作展示了一种潜在的元素调整策略，可用于定制 MPEA 中多态性的机械性能。

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来源期刊

International Journal of Mechanical Sciences 工程技术-工程：机械

CiteScore

12.80

自引率

17.80%

发文量

769

审稿时长

19 days

期刊介绍： The International Journal of Mechanical Sciences (IJMS) serves as a global platform for the publication and dissemination of original research that contributes to a deeper scientific understanding of the fundamental disciplines within mechanical, civil, and material engineering. The primary focus of IJMS is to showcase innovative and ground-breaking work that utilizes analytical and computational modeling techniques, such as Finite Element Method (FEM), Boundary Element Method (BEM), and mesh-free methods, among others. These modeling methods are applied to diverse fields including rigid-body mechanics (e.g., dynamics, vibration, stability), structural mechanics, metal forming, advanced materials (e.g., metals, composites, cellular, smart) behavior and applications, impact mechanics, strain localization, and other nonlinear effects (e.g., large deflections, plasticity, fracture). Additionally, IJMS covers the realms of fluid mechanics (both external and internal flows), tribology, thermodynamics, and materials processing. These subjects collectively form the core of the journal's content. In summary, IJMS provides a prestigious platform for researchers to present their original contributions, shedding light on analytical and computational modeling methods in various areas of mechanical engineering, as well as exploring the behavior and application of advanced materials, fluid mechanics, thermodynamics, and materials processing.