Molecular dynamics investigation of the lubrication mechanism of carbon nano-onions
Molecular dynamics investigation of the lubrication mechanism of carbon nano-onions
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DOI：
10.1016/j.commatsci.2011.09.036
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发表时间：
2012-03
影响因子：
3.3
通讯作者：
E. Bucholz;S. Phillpot;S. Sinnott
中科院分区：
文献类型：
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作者：
E. Bucholz;S. Phillpot;S. Sinnott
碳纳米洋葱已被证明可以通过纳米洋葱在界面处的滚动和滑动机制提供出色的摩擦和磨损减少，但这种行为对其摩擦学性能的影响尚未得到很好的记录。了解这种纳米结构材料的润滑机制有助于确定其摩擦性能，并促进这些材料在摩擦学应用中的使用。在这里，我们通过碳纳米洋葱提供低摩擦系数的滚动和滑动机制的特征进行原子分子动力学模拟的碳纳米洋葱类金刚石碳基板之间的滑动。结果表明，纳米洋葱滚动的能力受到抑制，增加的接触压力和纳米颗粒内的金刚石核的存在，提高了摩擦过程中界面结合的形成。从滚动到滑动行为的转变伴随着摩擦系数的显著增加。
Carbon nano-onions have been shown to provide exceptional friction and wear reduction through a rolling and sliding mechanism of the nano-onions at the interface, but the influence of this behavior on the their tribological properties is not well documented. Understanding the lubrication mechanisms of such nanostructured materials aids in determining their frictional properties and promotes the use of these materials in tribological applications. Here, we characterize the mechanisms of rolling and sliding through which carbon nano-onions provide low coefficients of friction by performing atomistic molecular dynamics simulations of carbon nano-onions sliding between diamond-like carbon substrates. The results indicate that the ability of the nano-onions to roll is inhibited both by increased contact pressure and the presence of a diamond core within the nanoparticles that enhances the formation of interfacial bonds during friction. The transition from rolling to sliding behavior is accompanied by a significant increase in the coefficient of friction.