| 引用本文格式: Shi Yin-Hua,Shi Qin. Molecular dynamics simulation of nanoindentation of CoCrNiFeCu high entropy alloy with void [J]. J. At. Mol. Phys., 2025, 42: 036003 (in Chinese) [史银花,施琴. 含孔洞CoCrNiFeCu高熵合金纳米压入的分子动力学模拟 [J]. 原子与分子物理学报, 2025, 42(3): 036003] |
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| 含孔洞CoCrNiFeCu高熵合金纳米压入的分子动力学模拟 |
| Molecular dynamics simulation of nanoindentation of CoCrNiFeCu high entropy alloy with void |
| 摘要点击 371 全文点击 33 投稿时间：2023-06-24 修订日期：2023-07-08 |
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| DOI编号
10.19855/j.1000-0364.2025.036003 |
| 中文关键词
CoCrNiFeCu 分子动力学 纳米压入 力学性能 位错演变 |
| 英文关键词
CoCrNiFeCu molecular dynamics nanoindentation mechanical properties dislocation evolution |
| 基金项目
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| 中文摘要
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| 高熵合金具有优异的力学性能、耐磨耐蚀耐高温等性能，成为未来最有发展潜力的新型材料之一。因此，本文通过分子动力学模拟的方法探究了孔洞对CoCrNiFeCu高熵合金模型纳米压痕力学性能和位错演化的影响。结果表明，屈服点、载荷、杨氏模量和硬度等力学参数随着孔洞深度D的增加呈现先增加后稳定的趋势。孔洞的存在显著影响了位错形核的位置，随着孔洞深度的增加，初始位错优先在孔洞与表面之间形成，随后集中在模型表面形成，且位错环由平面圆环状转变为“翼状”。在孔洞深度较小时（D < 40Å），位错环沿（110）面水平扩展，随着孔洞深度的增加，位错环开始向下扩展。此外，在压痕深度为30 Å时，位错密度随着孔洞深度的增加逐渐增加。 |
| 英文摘要
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| High entropy alloys have excellent mechanical properties, wear resistance, corrosion resistance and high temperature resistance, and become one of the most promising new materials in the future. Therefore, the influence of pores on the mechanical properties and dislocation evolution of nano-indentation in the CoCrNiFeCu high-entropy alloy model was investigated by molecular dynamics simulation. The results show that the mechanical parameters, such as yield point, load, Young's modulus and hardness, increase first and then stabilize with the increase of hole depth D. The presence of holes significantly affects the location of dislocation nucleation. With the increase of hole depth, the initial dislocations preferentially form between the hole and the surface, and then concentrate on the surface of the model, and the dislocation ring changes from a planar ring to a "winglike" one. When the hole depth is small (D < 40 Å), the dislocation ring expands horizontally along the (110) plane, and begins to expand downward as the hole depth increases. In addition, the dislocation density gradually increases with the hole depth at the indentation depth of 30 Å. |
