分子齿轮和固体齿轮的旋转机械传动
Mechanical transmission of rotation for molecule gears and solid-state gears
摘要：
将齿轮小型化到纳米级是一项艰巨的任务，对当前的制造技术提出了各种挑战。在上下文中，理解，通过计算机模拟，介导的纳米级齿轮之间的旋转运动的传输机制可以很大的帮助，以指导实验设计。基于原子分子动力学模拟，结合近刚体近似，分别研究了分子齿轮和固体齿轮之间的旋转运动传递。对于连续驱动下的分子齿轮，我们确定不同的制度的旋转运动取决于外部扭矩的大小。相比之下，固态齿轮表现得像理想齿轮，具有近乎完美的传动。此外，我们模拟了齿轮的扫描探针尖端的操作，我们发现，机械传输强烈依赖于齿轮之间的质心距离。为固态齿轮传动找到了一种新的传动方式。
英文摘要：
The miniaturization of gears towards the nanoscale is a formidable task posing a variety of challenges to current fabrication technologies. In context, the understanding, via computer simulations, of the mechanisms mediating the transfer of rotational motion between nanoscale gears can be of great help to guide the experimental designs. Based on atomistic molecular dynamics simulations in combination with a nearly rigid-body approximation, we study the transmission of rotational motion between molecule gears and solid-state gears, respectively. For the molecule gears under continuous driving, we identify different regimes of rotational motion depending on the magnitude of the external torque. In contrast, the solid-state gears behave like ideal gears with nearly perfect transmission. Furthermore, we simulate the manipulation of the gears by a scanning-probe tip and we find that the mechanical transmission strongly depends on the center of mass distance between gears. A new regime of transmission is found for the solid-state gears.
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