The initial flow dynamics of light atoms through carbon nanotubes
The initial flow dynamics of light atoms through carbon nanotubes
复制标题
DOI：
10.1088/0169-5983/43/2/025507
复制
发表时间：
2011-03
影响因子：
1.5
通讯作者：
J. Cannon;Daejoong Kim;O. Hess
中科院分区：
文献类型：
--
作者：
J. Cannon;Daejoong Kim;O. Hess
碳纳米管正变得越来越有可能作为膜应用于各种纳米流体应用，如纳米级喷嘴。对于利用开启和关闭通过纳米管喷嘴的流动的潜在应用，了解初始流动动力学是很重要的。此外，当纳米管与流体强烈相互作用时，流动可能与传统的模拟非常不同，传统的模拟只考虑与纳米管弱相互作用的原子(例如，Ar)。因此，为了更好地理解这种流动，并探索可以实现的流动的潜在操纵，我们使用非平衡分子动力学模拟来研究轻流体通过碳纳米管喷嘴的初始流动动力学。我们的研究表明，如果仔细控制条件，可能会产生不寻常的现象，如脉冲流和流量随纳米管直径的非线性增加。我们详细说明了这种现象的物理原因，并描述了如何使用温度来控制脉动。
Carbon nanotubes are becoming increasingly viable as membranes for application in a wide variety of nano-fluidic applications, such as nano-scale nozzles. For potential applications that utilize switching on and off of flow through nanotube nozzles, it is important to understand the initial flow dynamics. Furthermore, when the nanotube interacts strongly with the fluid, the flow may be very different from conventional simulations, which consider atoms (such as argon, for example) that interact only weakly with the nanotube. Therefore, to better understand such flows and explore the potential manipulation of flow that can be achieved, we consider the initial flow dynamics of a light fluid through carbon nanotube nozzles, using non-equilibrium molecular dynamics simulations. Our studies show that if the conditions are controlled carefully, unusual phenomena can be generated, such as pulsed flow and very nonlinear increases in flow rate with nanotube diameter. We detail the physical reasons for such phenomena and describe how the pulsation can be controlled using temperature.