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Issue 37, 2017
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Structure and crystallization of SiO2 and B2O3 doped lithium disilicate glasses from theory and experiment

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Abstract

Solid solutions of SiO2 and B2O3 in Li2O·2SiO2 are synthesized and characterized for the first time. Their structure and crystallization mechanisms are investigated employing a combination of simulations at the density functional theory level and experiments on the crystallization of SiO2 and B2O3 doped lithium disilicate glasses. The remarkable agreement of calculated and experimentally determined cell parameters reveals the preferential, kinetically controlled incorporation of [SiO4] and [BO4] at the Li+ lattice sites of the Li2O·2SiO2 crystal structure. While the addition of SiO2 increases the glass viscosity resulting in lower crystal growth velocities, glasses containing B2O3 show a reduction of both viscosities and crystal growth velocities. These observations could be rationalized by a change of the chemical composition of the glass matrix surrounding the precipitated crystal phase during the course of crystallization, which leads to a deceleration of the attachment of building units required for further crystal growth at the liquid–crystal interface.

Graphical abstract: Structure and crystallization of SiO2 and B2O3 doped lithium disilicate glasses from theory and experiment

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Article information


Submitted
05 Jul 2017
Accepted
03 Sep 2017
First published
04 Sep 2017

Phys. Chem. Chem. Phys., 2017,19, 25298-25308
Article type
Paper

Structure and crystallization of SiO2 and B2O3 doped lithium disilicate glasses from theory and experiment

A. Erlebach, K. Thieme, M. Sierka and C. Rüssel, Phys. Chem. Chem. Phys., 2017, 19, 25298
DOI: 10.1039/C7CP04503D

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