The directed transport of water mol

The directed transport of water molecules in a single-walled carbon
nanotube (SWNT) based on a ratchet effect is investigated by molecular dynamics
simulations. The system is driven far away from thermal equilibrium by an additional
deterministic perturbation of a vibrating charge, and the spatial inversion symmetry is
broken by the continuous deformations of the SWNT. It is well-known that the water
flux across a circular channel decreases when the channel is narrowed or deformed.
However, our simulation results show that the water flux almost increases linearly
within a deformation of 1.9 Å. There exists an optimized value of deformation at
which the pumping capacity takes its maximum value. Moreover, the direction of
transport even exhibits a change of sign with narrowing the carbon nanotube.

結果 (中文) 1:

在单壁碳水分子定向的输运分子动力学模拟研究了纳米碳管基于棘轮效应仿真结果。系统是远从热平衡由驱动附加确定性扰动的振动，充空间反演对称性是按新界西南的连续变形。它是知名的水圆形的海峡对岸的通量减小时对信道进行缩小或变形。然而，我们的仿真结果表明，水通量几乎呈线性增加内变形 1.9 Å。存在变形在优化的的值泵送能力以其最大值。此外的方向运输甚至展品的标志与缩小碳纳米管的变化。

結果 (中文) 3:

定向运输水分子在单壁碳纳米管（SWNT）
基于棘轮效应的分子动力学模拟研究了
。驱动系统远离热平衡的振动收取额外的
确定性扰动，与空间反演对称性是
由单壁碳纳米管的连续变形破裂。众所周知，在环形通道减小水
通量时，通道变窄或变形。
然而，我们的模拟结果表明，水通量几乎呈线性增加
在变形1.9Å。抽水能力取其最大值，存在优化值。此外，方向运输甚至表现出改变的迹象与缩小的碳纳米管。