W0118

Modeling Glass Structure by Combining NMR, Neutron Diffraction and X-ray Diffraction Data. J.W. Zwanziger and J.C. McLaughlin, Dept. of Chemistry, Indiana University, Bloomington, IN 47405 USA

We have extended the Reverse Monte Carlo algorithm to include data obtained from NMR experiments consistently with diffraction data. This was accomplished by using the relationship between NMR distance measurements in the solid state, specifically second moments, and the pair distribution functions of the coupled nuclei. Combining a variety of complementary data sets is important for complex multicomponent glasses. We will present details of this modeling method, and application to sodium tellurite glasses. The experiments combined in the modeling algorithm for this application include NMR second moment measurements of the sodium distribution, neutron diffraction measurements emphasizing the tellurite network, and synchrotron x-ray diffraction, emphasizing the tellurium pair distribution.