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Rn Atom Inside a Carbon Nanotube Under Temperature Effect

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Abstract:

This system consists of a relaxing Rn atom inside a rigid and static nanotube. The simulation was made by classic molecular dynamics with standard parameterization. We calculated thermodynamics approach properties as molar heat capacity and variation of molar entropy at 0.1, 1000 and 2000 ps with very small loss of energy. These facts could be useful for the construction of new molecular motor with small loss of energy.

Keywords: MOLECULAR DYNAMICS; MOLECULAR MOTOR; TEMPERATURE; THERMODYNAMICS

Document Type: Research Article

DOI: https://doi.org/10.1166/jctn.2009.1026

Publication date: 2009-01-01

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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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