| 第一原理分子动力学研究类金刚石薄膜的结合强度与摩擦性能 |
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| 引用本文： | 王丽莉,胡文军,万强,赵晓平.第一原理分子动力学研究类金刚石薄膜的结合强度与摩擦性能[J].分子科学学报,2010,26(6). |
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| 作者姓名： | 王丽莉 胡文军 万强 赵晓平 |
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| 作者单位： | 1. 中国工程物理研究院计算机应用研究所,四川绵阳,621900
2. 中国工程物理研究院总体工程研究所,四川绵阳,621900 |
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| 基金项目： | 国家自然科学基金资助项目(10802081) |
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| 摘 要： | 金刚石(110)表面具有不同方向上抛光速率的强烈不对称的特征,用第一性原理全能量平面波赝势方法模拟研究了类金刚石薄膜表面的结合强度与摩擦性能,确定了相互作用模型以及排斥力作用范围,研究了范德华排斥力在摩擦表面上的分布,研究结果表明,摩擦表层感受到的力在〈001〉和〈110〉2个方向上表现明显不同,而且〈110〉方向上摩擦力一直高于〈001〉方向上的摩擦力.
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| 关 键 词： | 类金刚石薄膜 结合强度 摩擦性能 第一原理分子动力学 计算机模拟 |
Friction and adhesion of DLC films studied by first principle molecular dynamics |
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| WANG Li-li,HU Wen-jun,WAN Qiang,ZHAO Xiao-ping.Friction and adhesion of DLC films studied by first principle molecular dynamics[J].Journal of Molecular Science,2010,26(6). |
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| Authors: | WANG Li-li HU Wen-jun WAN Qiang ZHAO Xiao-ping |
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| Institution: | WANG Li-li1,HU Wen-jun2,WAN Qiang2,ZHAO Xiao-ping1(1.Computer Application Institute,China Academy of Engineering Physics,Mianyang 621900,China,2.Structure Mechanics Institute,China) |
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| Abstract: | The strong asymmetry in the rate of polishing between different directions on the(110) surface is the characteristic of diamond.The surface friction of diamond-like carbon films was studied by first principle molecular dynamics.Our study ensured the models of interaction and the range of adhesion force between the film,and the distributing of VDW force on films friction surface.Results show that the force which produced between friction surface is the function of lateral distance,and the performance is obvi... |
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| Keywords: | diamond-like carbon films adhesion friction first principle molecular dynamics computer simulation |
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