A molecular dynamic calculation of the structure of B2O3 glass
1980; American Institute of Physics; Volume: 73; Issue: 8 Linguagem: Inglês
10.1063/1.440632
ISSN1520-9032
Autores Tópico(s)Crystal Structures and Properties
ResumoA 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.
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