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Molecular Dynamics Study of the Flagella Inside the Carbon Torus

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Abstract:

We propose a system that avoids the open ends of the nanotube, we used a device consisting of flagellum (FLA) inside a nanotorus (NT) formed by carbon atoms. The flagellum consists of a C20 nanosphere with fixed size of tail within the NT. The full system consists of a closed loop drive and static nanotubes and nanospheres not static with different sizes of flagella released inside the nanotube, with each simulation, allows the relaxation between (internal and external NT). The nanospheres result in a system that provides movement of Van der Waals. The simulations were done by well-known classic molecular dynamics with standard parameterization. We calculate thermodynamic properties of these devices as heat capacity and molar entropy variation. For this system were obtained properties such as: the speed of nanospheres plagued the efficiency of molecular motor versus time, the kinetic energy, potential energy and total energy in each of the simulations. In our calculations, this system has a number of carbon atoms ranging from (2721 until 2728) with up to almost 10 ps simulation. These facts can be useful for the construction of new molecular machines.

Keywords: C20; FLAGELLUM; MOLECULAR DYNAMICS; NANOMOTOR; NANOSPHERE; TOROUS

Document Type: Research Article

DOI: http://dx.doi.org/10.1166/jnn.2011.3064

Publication date: February 1, 2011

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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