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Fullerene nano ball bearings: an atomistic study

机译:富勒烯纳米球轴承:原子研究

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We investigated fullerene and metallofullerene nano ball bearings using classical molecular dynamics and steepest descent methods based on both the Tersoff-Brenner and the Lennard-Jones 12-6 potentials. Under hydrostatic pressures, the bulk modulus and the ultimate pressure of K@C_(60) were higher than those of C_(60). While C_(60) rolling dynamics were the same as K@C_(60) rolling dynamics, the sustaining pressure of K@C_(60) intercalated between layers was higher than that of C_(60) intercalated between layers. In molecular dynamics simulations of C_(60) and K@C_(60) rolling motions, periodic variations of the frictional forces were found and the mean dynamical frictional forces were almost zero. We were able to conclude that K@C_(60) was more effective than C_(60) for the application of nano ball bearings.
机译:我们使用经典的分子动力学和基于Tersoff-Brenner和Lennard-Jones 12-6势能的最陡下降方法研究了富勒烯和金属富勒烯纳米球轴承。在静水压力下,K @ C_(60)的体积模量和极限压力高于C_(60)。 C_(60)滚动动力学与K @ C_(60)滚动动力学相同,但插在层之间的K @ C_(60)的维持压力高于插在层之间的C_(60)的维持压力。在C_(60)和K @ C_(60)滚动运动的分子动力学模拟中,发现了摩擦力的周期性变化,并且平均动态摩擦力几乎为零。我们可以得出结论,对于纳米球轴承的应用,K @ C_(60)比C_(60)更有效。

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