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Indentation response of nanoporous gold from atomistic simulations

机译：原子模拟的纳米孔金压痕响应

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摘要

We present classical potential molecular dynamics simulations of nanoporous gold (np-Au) impacted by a spherical indenter. The atomic structure was generated using a phase field model as a template. In agreement with previous experiments, we observe densification in the region under the indenter. The hardness values obtained from our simulations exhibit a transition from an initially perfect-plastic plateau to hardening behavior in the later stages of indentation. This transition occurs when the relative density beneath the indenter exceeds similar to 0.9. Hardness values obtained from the nanoindentation simulations reach 0.6 GPa, due to the densification of the material under the indenter. Elevated dislocation densities are observed in the densified region. The mechanism of pore collapse in the densified layer under the indenter is seen to switch from uniaxial to triaxial, consistent with a change in deformation mechanism from one based on shearing of individual ligaments in np-Au to one involving dislocation-mediated plasticity around voids in a Au single crystal undergoing uniaxial compression.
机译：我们目前的经典潜在分子动力学模拟的纳米球形金（np-Au）受球形压头的影响。使用相场模型作为模板来生成原子结构。与以前的实验一致，我们观察到压头下区域的致密化。从我们的模拟中获得的硬度值在压痕的后期显示出从最初的完美塑性平稳期到硬化行为的转变。当压头下方的相对密度超过0.9时，将发生此过渡。由于压头下材料的致密化，从纳米压痕模拟获得的硬度值达到0.6 GPa。在致密区域中观察到位错密度升高。压头下致密层中的孔塌陷机制从单轴转变为三轴，这与变形机制从基于np-Au中单个韧带剪切的变形到涉及位错介导的可塑性围绕孔隙周围的变形的变化一致。经历单轴压缩的Au单晶。

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  • 来源
    《Journal of Materials Research》 |2018年第10期|1382-1390|共9页
  • 作者

    Farkas Diana; Stuckner Joshua; Umbel Rachel; Kuhr Bryan; Demkowicz Michael J.;

  • 作者单位

    Virginia Tech, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA;

    Virginia Tech, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA;

    Virginia Tech, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA;

    Virginia Tech, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA;

    Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
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  • 正文语种 eng
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