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Using a functional C-84 monolayer to improve the mechanical properties and alter substrate deformation

机译:使用功能性C-84单层改善机械性能并改变基板变形

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摘要

The nanoindentations of a silicon (111) substrate covered with a manipulated C-84 monolayer are explored by molecular dynamics (MD) simulation and further verified by experiments. Calculations show that pop-in events and a stick-slip event are exhibited in the C-84/Si substrate during the loading process, where the pop-in events are caused by the severe deformation of the C-84 molecule, while the stick-slip event takes place at the interface between the tip and C-84 molecule. The resulting deformed conformations and mechanical properties influenced by the diverse indentation mechanisms are also presented. Such a nanoindentation simulation model provides a powerful way to understand at an atomic level the interaction of the parts of an interface, and of the system as a whole. The experimental measurements from ultra-high vacuum atomic force microscopy (AFM) are compared with theoretical findings. Our investigations offer a possible replacement for semiconductor carbide.
机译:通过分子动力学(MD)模拟探索用被操纵的C-84单层覆盖有被操纵的C-84单层覆盖的硅(111)衬底的纳米indentation,并通过实验进一步验证。 计算表明,在加载过程中,在C-84 / Si衬底中在C-84 / Si衬底中展示了弹出事件,其中Pop-in事件是由C-84分子的严重变形引起的,而棍子 -SLIP事件在尖端和C-84分子之间的界面处发生。 还介绍了由不同凹口机制影响的所得到的变形构象和机械性能。 这种纳米凸形仿真模型提供了一种强大的方式,可以在原子水平上理解接口部件的相互作用,以及整个系统。 将超高真菌原子力显微镜(AFM)的实验测量与理论发现进行了比较。 我们的调查为半导体碳化物提供了替代品。

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  • 来源
    《RSC Advances》 |2015年第59期|共8页
  • 作者单位

    Natl Ctr High Performance Comp Taichung 40763 Taiwan;

    Natl Chung Hsing Univ Dept Phys Taichung 40227 Taiwan;

    Inst Nucl Energy Res Div Phys Taoyuan 32546 Taiwan;

    Natl Chung Hsing Univ Dept Phys Taichung 40227 Taiwan;

    Natl Ctr High Performance Comp Hsinchhu 30076 Taiwan;

    Natl Ctr High Performance Comp Hsinchhu 30076 Taiwan;

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

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