A molecular dynamic calculation of the structure of B2O3 glass
- 15 October 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (8) , 4032-4036
- https://doi.org/10.1063/1.440632
Abstract
A molecular dynamic calculation on vitreous B2O3 reveals a structure in which boron is trigonally coordinated to oxygen. Boron atoms are at the center of approximately regular triangles. The triangles are connected at apices to form a three‐dimensional network of interconnected ribbons and sheets. No tendency to form boroxol groups is found and a reinterpretation of the x‐ray data of Mozzi and Warren is suggested. A comparison is made with the molecular dynamic structure of silica.Keywords
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