Volumetric Dependence of Interatomic Distance in Dense Nanosystems: A Theoretical and Molecular Dynamics Study

Authors: Mohazzabi, Pirooz; Mansoori, G. Ali

Source: Journal of Computational and Theoretical Nanoscience, Volume 5, Number 4, April 2008 , pp. 639-646(8)

Publisher: American Scientific Publishers

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Abstract:

Theoretical and molecular dynamics simulations of small dense argon systems suggest functional forms for the dependence of internal energy and internal pressure on volume that are quite different from those in macroscopic systems. The results strongly suggest that the proportionality between volume of a system and the mean nearest-neighbor distance between its particles breaks down in nanosystems. The qualitative behaviors of the internal energy and internal pressure, however, are independent of the system size and are the same in both large and small systems.

Keywords: NANOSYSTEMS; INTERNAL ENERGY; INTERNAL PRESSURE; VOLUME DEPENDENCE; NEAREST-NEIGHBOR DISTANCE

Document Type: Research article

DOI: 10.1166/jctn.2008.030

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