Nonextensivity and Nonintensivity in Nanosystems: A Molecular Dynamics Simulation

Authors: Mohazzabi, Pirooz; Mansoori, Ali G.

Source: Journal of Computational and Theoretical Nanoscience, Volume 2, Number 1, March 2005 , pp. 138-147(10)

Publisher: American Scientific Publishers

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Abstract:

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.

Keywords: EXTENSIVITY; INTENSIVITY; THERMODYNAMICS; NANOSYSTEMS

Document Type: Research article

DOI: 10.1166/jctn.2005.012

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