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SIZE EFFECTS ON STRUCTURE OF AMORPHOUS Al2O3 NANOPARTICLES

Nguyen Hoang Hung 1
Hoang Dzung 2
Volume & Issue: Vol. 11 No. 10 (2008) | Page No.: 94-99 | DOI: 10.32508/stdj.v11i10.2706
Published: 2008-10-31

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Copyright The Author(s) 2023. This article is published with open access by Vietnam National University, Ho Chi Minh city, Vietnam. This article is distributed under the terms of the Creative Commons Attribution License (CC-BY 4.0) which permits any use, distribution, and reproduction in any medium, provided the original author(s) and the source are credited. 

Abstract

Structural properties of spherical have been studied in a model with different size of 2nm, 4nm and 5nm under non-periodic boundary conditions with the pairwise interatomic potentials proposed by Born-Mayer. Models have been obtained by cooling from the melt via molecular dynamics (MD) simulation. Structural properties of an amorphous nanoparticle obtained at 350 K have been analyzed in details through the partial radial distribution functions (PRDFs), coordination number distributions, bond-angle distributions and interatomic distances. Calculations show that size effects on structure of amorphous Al2O3 nanoparticles are significant in that. Moreover, surface and core structure of a nanoparticle have been obtained and presented.

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