IAM - Ceramic Materials and Technologies

Short-range and medium-range order in lithium silicate classes .2. Simulation of the structure by the reverse Monte Carlo method

  • Author: Uhlig, H.; Hoffmann, M. J.; Lamparter, H. P.; Aldinger, F.; Bellissent, R.; Steeb, S.
  • Source: JOURNAL OF THE AMERICAN CERAMIC SOCIETY 79 (1996), 11, 2839–2846
  • Short-range and medium-range order in lithium silicate classes .2. Simulation of the structure by the reverse Monte Carlo method.

Abstract

The results of X-ray and neutron diffraction experiments with (Li2O)(x)(SiO2)(100-x) glasses (x = 0, 20, 33.3, and 40) are discussed using the Reverse Monte Carlo method to produce atomic clusters, which are analyzed with respect to the O-O distribution, the angular correlations within the first and higher coordination spheres, and the bond-orientational multipole moments, Within Li2O-containing silicate glasses, each lithium atom is surrounded by a ring of six SiO4 tetrahedra in such a way that four oxygen atoms lie at the joints of a tetragonal cell entered by lithium. Thus, the lithium atoms increase the order of the glass.