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纳米黏着接触行为及其压力分布和相变过程分析
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国家自然科学基金项目(51275046;51305029);中国博士后基金项目(2012M520005;2013T60066).


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    摘要:

    运用分子动力模拟方法研究刚性球型探头与原子级光滑表面的黏着接触过程,分析接触过程的载荷-位移曲线、压力分布和相变情况;得到加载过程黏着接触的“突跳点”与“引力最大点”,分别是由于探头与基体原子之间的范德华作用和键合作用导致;在卸载过程中引力最大时刻,探头与基体发生“颈缩”分离。在“突跳”点时,接触区原子处于受拉状态,在“突跳”过程后,接触区中心原子逐渐处于受压状态,接触边缘处于受拉状态;随着探头不断压入基底,接触区中心原子所受压力越来越大。在卸载过程中的引力最大时刻,接触区原子重新处于受拉状态。在加载过程中接触区内有高压相的产生,在卸载过程“颈缩”分离阶段,配位数为0的原子数目迅速增加,更多的原子粘附在探头上被带走。

    Abstract:

    Molecular dynamics (MD) simulations were used to investigate the load-displacement curve, pressure distribution and phase transformation during the adhesive contact process between a silica spherical tip and an atomically smooth silicon surface. The jump-to-contact point and the maximum attractive force point during the loading stage were observed, which were caused by the van der Waals interaction and bonding formation between the tip atoms and the substrate atoms, respectively. During the unloading process, the necking separation between the tip and substrate occurs at the maximum attractive force point. At the jump-to-contact point, the atoms in the contact region are under tensional forces. After the jump-to-contact process, the atoms in the contact region are under compressive forces while those around the contact region are under tensional forces. The pressure of atoms in the contact region is increased with the indentation depth. During the unloading process, the atoms in the contact region returns to the state under tensional forces at the maximum attractive force point. The analyses of the phase change process shows the generation of high pressure phase in the contact region during the loading process. During the necking separation period in the unloading process, the atomic number with the coordination number of 0 is increased rapidly, and more atoms adhered onto the tip to be taken away.

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司丽娜,王晓力.纳米黏着接触行为及其压力分布和相变过程分析[J].润滑与密封,2015,40(3):8-12.
.[J]. Lubrication Engineering,2015,40(3):8-12.

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  • 在线发布日期: 2015-04-27
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