A constrained molecular dynamics study of B2O3glass
- 10 July 1988
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 21 (19) , L689-L691
- https://doi.org/10.1088/0022-3719/21/19/002
Abstract
The results of a MD simulation study, employing constraints, of v-B2O3 are presented. Half the number of B-O-B and O-B-O angles are constrained at 120 degrees during the simulation. The simulated glass structure consists of a network of planar BO3 triangles. No boroxol rings are formed, as adjacent BO3 triangles have a preference to be not in the same plane.Keywords
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