Temperature-Driven Nanopump: Non-Equilibrium Molecular Dynamics Simulation

Authors: Wang, Xianqiao; Lee, James D.

Source: Journal of Computational and Theoretical Nanoscience, Volume 9, Number 1, January 2012 , pp. 92-96(5)

Publisher: American Scientific Publishers

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Abstract:

The present work proposes a temperature-driven nanopump system with a carbon nanotube and C₆₀ buckyballs as a probe. Through the non-equilibrium molecular dynamical simulations, it is shown that that C₆₀s' drifting and rotations like molecule transport can be effectively achieved due to van der Waals force by the thermal fluctuation. This intriguing model with flexible mobility offers the promise to construct one-dimensional nanodevices driven by thermal bath for mass transport.

Keywords: MOLECULAR DYNAMICS; CARBON NANOTUBE; BUCKYBALL; THERMODYNAMICS; NANOPUMP

Document Type: Research article

DOI: http://dx.doi.org/10.1166/jctn.2012.2001

Publication date: 2012-01-01

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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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