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A molecular dynamics simulation study on trapping ions in a nanoscale Paul trap

机译:纳米级Paul阱中离子捕获的分子动力学模拟研究

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We found by molecular dynamics simulations that a low energy ion can be trapped effectively in a nanoscale Paul trap in both vacuum and aqueous environments when appropriate AC/DC electric fields are applied to the system. Using the negatively charged chlorine ion as an example, we show that the trapped ion oscillates around the center of the nanotrap with an amplitude dependent on the parameters of the system and applied voltages. Successful trapping of the ion within nanoseconds requires an electric bias of GHz frequency, in the range of hundreds of mV. The oscillations are damped in the aqueous environment, but polarization of water molecules requires the application of a higher voltage bias to reach improved stability of the trapping. Application of a supplemental DC driving field along the trap axis can effectively drive the ion off the trap center and out of the trap, opening up the possibility of studying DNA and other charged molecules using embedded probes while achieving a full control of their translocation and localization in the trap.
机译:我们通过分子动力学模拟发现,当在系统中施加适当的AC / DC电场时,低能离子可以有效地捕获在真空和水环境中的纳米级Paul阱中。以带负电荷的氯离子为例,我们表明被捕获的离子围绕纳米阱的中心振荡,其幅度取决于系统的参数和施加的电压。要在纳秒内成功捕获离子,就需要GHz频率的电偏置,频率范围为数百mV。振荡在水性环境中得到抑制,但是水分子的极化需要施加更高的电压偏置才能达到改善的捕集稳定性。沿捕获器轴施加辅助DC驱动场可以有效地将离子从捕获器中心驱出并从捕获器中驱除,从而为使用嵌入式探针研究DNA和其他带电分子提供了可能性,同时实现了对离子迁移和定位的完全控制在陷阱中。

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