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Molecular dynamics–reverse Monte Carlo (MD–RMC) method was applied to ZrO
We found that a significant fraction of edge-sharing structures was formed around Zr–O and Li–O polyhedra, resulting in a densely packed configuration of O atoms. This configuration was manifested by a very sharp principal peak in the neutron scattering data. Our model indicates that the Zr and Li ions are incorporated in the glass as distorted ZrO