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Thermally driven molecular linear motors: A molecular dynamics study
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Figures

Image of FIG. 1.

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FIG. 1.

Schematic of the computational setup. Cross-sectional view of the system, the outer CNT is a (22,0) zigzag CNT and the inner one is a (12,0) zigzag CNT. A thermal gradient is imposed by heating the end sections (in gray) of the outer CNT.

Image of FIG. 2.

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FIG. 2.

COM position (a) and velocity (b) as a function of time for three different thermal gradients: blue (*), 3.16 K/nm; green (×), 1.58 K/nm, and red , 1.18 K/nm.

Image of FIG. 3.

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FIG. 3.

External force acting on the constrained inner CNT (a) external force as a function of the imposed thermal gradient for different constrained velocities: red line and (×), 4 nm/ns. blue line and , 16 nm/ns. (b) External force acting as a function of the COM velocity for different thermal gradients: red , 0.0 K/nm; green (×), 1.0 K/nm; blue (*), 2.0 K/nm; and fuchsia (squares), 3.0 K/nm.

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/content/aip/journal/jcp/131/24/10.1063/1.3281642
2009-12-29
2014-04-21

Abstract

We conduct molecular dynamics simulations of a molecular linear motor consisting of coaxial carbon nanotubes with a long outer carbon nanotube confining and guiding the motion of an inner short, capsulelike nanotube. The simulations indicate that the motion of the capsule can be controlled by thermophoretic forces induced by thermal gradients. The simulations find large terminal velocities of 100–400 nm/ns for imposed thermal gradients in the range of 1–3 K/nm. Moreover, the results indicate that the thermophoretic force is velocity dependent and its magnitude decreases for increasing velocity.

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Scitation: Thermally driven molecular linear motors: A molecular dynamics study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/24/10.1063/1.3281642
10.1063/1.3281642
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