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A Molecular Dynamics Simulation of Fracture in Nanocrystalline Copper

机译:纳米晶铜断裂的分子动力学模拟

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摘要

A large-scale molecular dynamics simulation was used to investigate the propagation of cracks in three dimensional samples of nanocrystalline copper, with average grain sizes ranging from 5.34 to 14.8 ran and temperatures ranging from 1K to 500 K. It was shown that intragranular fracture can proceed inside the grain at low temperature, and plastic deformation around the tip of the crack is accommodated by dislocation nucleation/emission; indeed, both fully extended dislocation and deformation twinning were visible around the tip of the crack during fracture. In addition, due to a higher concentration of stress in front of the crack at a relative lower temperature, it was found that twinning deformation is easier to nucleate from the tip of the crack. These results also showed that the decreasing grain size below a critical value exhibits a reverse Hall-Petch relationship due to the enhancing grain boundary mediation, and high temperature is better for propagating ductile cracks.
机译:使用大规模分子动力学模拟研究了三维晶体铜的三维样品中裂纹的扩展,平均晶粒尺寸为5.34至14.8纳米,温度范围为1K至500K。结果表明,可以发生晶内断裂在低温下晶粒内部,位错形核/发射可调节裂纹尖端周围的塑性变形;实际上,在断裂过程中,在裂纹尖端周围都可以看到完全扩展的位错和变形孪晶。另外,由于在相对较低的温度下裂纹前的应力集中较高,因此发现孪晶变形更容易从裂纹的尖端成核。这些结果还表明,由于增强的晶界介导,减小到临界值以下的晶粒尺寸表现出反向的霍尔-帕奇关系,并且高温更好地传播延性裂纹。

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  • 来源
    《Journal of nano research》 |2013年第2013期|50-56|共7页
  • 作者单位

    School of Mechanical, Materials and Mechatronic Engineering University of Wollongong, Wollongong, NSW 2522, Australia;

    School of Mechanical, Materials and Mechatronic Engineering University of Wollongong, Wollongong, NSW 2522, Australia;

    School of Mechanical, Materials and Mechatronic Engineering University of Wollongong, Wollongong, NSW 2522, Australia;

    School of Mechanical, Materials and Mechatronic Engineering University of Wollongong, Wollongong, NSW 2522, Australia;

    School of Mechanical, Materials and Mechatronic Engineering University of Wollongong, Wollongong, NSW 2522, Australia;

    School of Mechanical, Materials and Mechatronic Engineering University of Wollongong, Wollongong, NSW 2522, Australia;

    School of Mechanical, Materials and Mechatronic Engineering University of Wollongong, Wollongong, NSW 2522, Australia;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Crack propagation; Intragranular fracture; MD simulation; Nanocrystalline copper; Deformation twinning;

    机译:裂纹扩展;晶内骨折;MD仿真;纳米晶铜;变形孪晶;

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