ChemInform Abstract: Short-Range and Medium-Range Order in Lithium Silicate Glasses. Part 2. Simulation of the Structure by the Reverse Monte Carlo Method.
✍ Scribed by H. UHLIG; M. J. HOFFMANN; H.-P. LAMPARTER; F. ALDINGER; R. BELLISSENT; S. STEEB
- Publisher
- John Wiley and Sons
- Year
- 2010
- Weight
- 28 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0931-7597
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✦ Synopsis
Short-Range and Medium-Range Order in Lithium Silicate Glasses. Part 2. Simulation of the Structure by the Reverse Monte Carlo Method.
-Based on the total-pair correlation functions, partial coordination numbers, and atomic pair distances obtained by neutron and X-ray diffraction experiments, a three-dimensional structure model of (Li2O) x(SiO2) 100-x (x = 0, 20, 33.3, 40) glasses is derived according to the Reverse Monte Carlo method. Analysis of the O-O distribution, angular correlations, and bond-orientational multiple moments of this structure model shows that in the glasses each Si is surrounded by a ring of six SiO4 tetrahedra with four O atoms lying at the joints of a tetragonal cell centered by Li. Thus, Li increases the degree of order in silicate glasses. -(UHLIG, H.; HOFFMANN, M.