Carbon Nanotube and Ordinary Nanowire Track as Molecular Motor
In this work we propose a motor molecular that uses a carbon wire like two bounded three-pronged pitchforks using as a small nanotube as a probe. The internal probe is relaxing between them. The initial position of the probe is out of symmetry that was the way of the probe to start in the system movement due to van der Waals force acting in them. The simulation was done by classic molecular dynamics with standard parameterization. We also calculated temporal thermodynamics approach properties of this device as molar specific heat (0.107 kcal/mol °K) and variation of entropy (0.12 kcal/mol °K). In our calculations this system has 100 carbon atoms with up to almost 5 ns of simulation. These facts can be useful for the constructions of new molecular machines.
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Document Type: Research Article
Publication date: 01 May 2007
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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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