Nanotech 2007 Vol. 4
Nanotech 2007 Vol. 4
Technical Proceedings of the 2007 NSTI Nanotechnology Conference and Trade Show, Volume 4

Nanoparticles Chapter 2

Structural Properties of Amorphous Al2O3.2SiO2 nanoparticles

Authors: N.N. Linh, V.V. Hoang and H. Zung

Affilation: Institute of Technology, National Univ. of HochiMinh City., Viet Nam

Pages: 324 - 327

Keywords: amorphous alumino-silicate nanoparticles, computer simulations

Structural properties of amorphous Al2O3.2SiO2 (AS2) spherical nanoparticles have been studied in a model with different sizes of 2nm, 3nm, 4nm and 5nm under periodic boundary conditions with the Born-Mayer type pair potentials [1,2] via molecular dynamics (MD) simulation. Structural properties have been analyzed in detail through the partial radial distribution functions (PRDF), coordination number distribution, bond-angle distributions and interatomic distances. Moreover, the radial density profiles in nanoparticles were also obtained. Calculations show that size effects on structure of a model are significant and calculated data differ from those obtained previously in the bulk one. We find that as the size larger than 3nm, amorphous AS2 nanoparticle has a distorted tetrahedral network structure with the mean coordination number and . The existence of triclusters in nanoparticles and size dependence of tricluster composition have been found and discussed. Furthermore, surface structure and surface energy of nanoparticles have been obtained and presented.

Structural Properties of Amorphous Al2O3.2SiO2 nanoparticles

ISBN: 1-4200-6376-6
Pages: 768
Hardcopy: $139.95