Meyer A, Horbach J, Kob W, Kargl F, Schober H
Physik Department E 13, Technische Universität München, 85747 Garching, Germany.
Phys Rev Lett. 2004 Jul 9;93(2):027801. doi: 10.1103/PhysRevLett.93.027801. Epub 2004 Jul 7.
We use inelastic neutron scattering and molecular dynamics simulation to investigate the interplay between the structure and the fast sodium ion diffusion in various sodium silicates. With increasing temperature and decreasing density the structure factors exhibit an emerging prepeak around 0.9 A(-1). We show that this prepeak has its origin in the formation of sodium rich channels in the static structure. The channels serve as preferential ion conducting pathways in the relative immobile Si-O matrix. On cooling below the glass transition this intermediate range order is frozen in.
我们使用非弹性中子散射和分子动力学模拟来研究各种硅酸钠中结构与快速钠离子扩散之间的相互作用。随着温度升高和密度降低,结构因子在0.9 Å⁻¹附近出现一个新的预峰。我们表明,这个预峰源于静态结构中富钠通道的形成。这些通道在相对固定的Si-O基质中作为优先的离子传导路径。在冷却至玻璃转变温度以下时,这种中间范围有序结构被冻结。