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The statistical modeling of the platinum nanoparticles in the transition area from the five-fold symmetry structure to the crystal lattice

Svalova, A. I. and Stishenko, P. V. 2015. The statistical modeling of the platinum nanoparticles in the transition area from the five-fold symmetry structure to the crystal lattice. Procedia Engineering 113 , pp. 429-434. 10.1016/j.proeng.2015.07.321

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Abstract

This paper deals with the atom energy mean value of the platinum nanoparticles of various size (from 300 to 3000 atoms that approximately corresponds to the transition threshold from the icosahedral structure to the face-centered cubic one) on the face-centered cubic lattice and on the five-fold symmetry one, with the application of the modified Metropolis algorithm based on the Monte-Carlo method. When calculating the energy the quantum Sutton-Chen potential is used.

Item Type: Article
Date Type: Published Online
Status: Published
Schools: Chemistry
Publisher: Elsevier
ISSN: 1877-7058
Last Modified: 04 Oct 2021 10:30
URI: http://orca.cardiff.ac.uk/id/eprint/143469

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