Carbon Nanotubes as Gun and Molecular Motor
In this work we propose a system as gun and molecular motor like that it uses the open extremities of external nanotube and an internal nanotube as a probe. The system consists of a rigid and static nanotube opened and the internal probe that it allows relaxation between them. The initial position of nanotubes is out of symmetry producing the probe to start the system movement due to van der Waals force acting in the probe. The simulation was made by classic molecular dynamics with standard parameterization. We calculated thermodynamic properties of these devices as molar specific heat (1.6 kcal/mol K) and temporary entropy variation (0.4 kcal/mol K). Properties as probe speed were obtained like molecular motor or gun, with the same geometry, versus time. In our calculations this system has 564 carbon atoms up to almost 50 ps of simulation. These facts can be useful for the constructions of new molecular machines.
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Document Type: Research Article
Publication date: 2007-05-01
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- Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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