刘宏俊, 李山清, 江五贵, 曾永辉. AlxCoCrFeNi高熵合金剪切力学性能的分子动力学模拟[J]. 南昌航空大学学报(自然科学版), 2022, 36(4): 1-6, 42. DOI: 10.3969/j.issn.2096-8566.2022.04.001
引用本文: 刘宏俊, 李山清, 江五贵, 曾永辉. AlxCoCrFeNi高熵合金剪切力学性能的分子动力学模拟[J]. 南昌航空大学学报(自然科学版), 2022, 36(4): 1-6, 42. DOI: 10.3969/j.issn.2096-8566.2022.04.001
Hong-jun LIU, Shan-qing LI, Wu-gui JIANG, Yong-hui ZENG. Molecular Dynamics Simulation on Shear Mechanical Properties of AlxCoCrFeNi High-Entropy Alloy[J]. Journal of nanchang hangkong university(Natural science edition), 2022, 36(4): 1-6, 42. DOI: 10.3969/j.issn.2096-8566.2022.04.001
Citation: Hong-jun LIU, Shan-qing LI, Wu-gui JIANG, Yong-hui ZENG. Molecular Dynamics Simulation on Shear Mechanical Properties of AlxCoCrFeNi High-Entropy Alloy[J]. Journal of nanchang hangkong university(Natural science edition), 2022, 36(4): 1-6, 42. DOI: 10.3969/j.issn.2096-8566.2022.04.001

AlxCoCrFeNi高熵合金剪切力学性能的分子动力学模拟

Molecular Dynamics Simulation on Shear Mechanical Properties of AlxCoCrFeNi High-Entropy Alloy

  • 摘要: 高熵合金具有传统合金无法超越的高强度和高硬度等一系列优异性能,有着极其广阔的应用前景。本文采用分子动力学方法模拟了AlxCoCrFeNi高熵合金的剪切力学性能。重点研究了温度和Al含量对AlxCoCrFeNi高熵合金剪切性能的影响。研究表明:AlxCoCrFeNi系高熵合金的剪切模量和剪切强度随温度的升高逐渐降低。这主要是因为温度越高,原子间的热振动越剧烈,结构更容易失稳,导致其剪切模量和剪切强度越低。当温度相同时,随着Al含量的增加(x为0.5到2.0之间),AlxCoCrFeNi的剪切模量随之增加但剪切强度降低。Al含量越多,随温度升高剪切模量下降的幅度越大,但剪切强度下降趋势幅度相差不大。

     

    Abstract: High-entropy alloys have been widely used in many fields due to their excellent properties such as high strength and high hardness that cannot be surpassed by traditional alloys. In this work, the shear mechanical behavior of AlxCoCrFeNi high-entropy alloys was studied by a molecular dynamics (MD) simulation. The effects of temperature and Al content on the shear modulus and shear strength of AlxCoCrFeNi high-entropy alloys were specially investigated. The results show that the shear modulus and shear strength decrease gradually with increased temperature, which is ascribed to the fact that the higher temperature, the more prominent thermal vibration between each atom, and the more easily the structure is destabilized. When the temperature is the same, the shear modulus of AlxCoCrFeNi enhances but the shear strength declines as the Al content increases (x is between 0.5 and 2.0). Moreover, the simulations results show that the higher the Al content, the greater decrease in shear modulus with increasing temperature, while the drop in shear strength is not significant.

     

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