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Nonextensivity and Nonintensivity in Nanosystems: A Molecular Dynamics Simulation

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Using extensive molecular dynamics simulations, we have investigated the extensivity of the internal energy and entropy as well as the intensivity of temperature and pressure in small thermodynamic systems. Atomic systems consisting of n3(n = 2, 3, …, 10) argon-like particles interacting through the Lennard-Jones potential energy function have been studied. It is found that in small systems, contrary to macroscopic systems, internal energy and entropy are nonextensive whereas temperature and pressure are nonintensive. These deviations from macroscopic thermodynamics, that continue to remain detectable even in systems containing as many as 1000 particles, are in agreement with theoretical predictions.
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Keywords: EXTENSIVITY; INTENSIVITY; NANOSYSTEMS; THERMODYNAMICS

Document Type: Research Article

Publication date: March 1, 2005

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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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