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- W2012804573 abstract "We propose and evaluate a structural model for mixed K-Ca nitrate melts and glasses, which invokes the presence of strongly bound Ca 2 (NO 3 ) 7 groups surrounded by K ions that can transport charge by relatively free jumps. To this purpose we first construct ionic models for the pure ANO 3 compounds (with A = alkali metal ion), by searching for suitable A +Z ·(NO 3 ) −Z interionic potentials in the space of interionic-law parameters with the help of known models for alkali chlorides. The available evidence mainly consists of infrared-active mode frequencies, and is compatible with two alternative types of interionic parameters. A choice between them is made on the basis of the fact that the NO 3 group has a flat triangular shape and can execute torsional oscillations giving rise to a low-frequency Raman-active mode in the melt. This interionic force model is then combined with a similar model for Ca(NO 3 ) 2 to evaluate the structural properties of a 3KNO 3 ·2Ca(NO 3 ) 2 unit, which is the constituent of the well-known glassformer CKN. We expect that the present model should be representative of other mixed alkali-divalent ion nitrate systems in the range of concentration where glass formation is observed." @default.
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- W2012804573 date "2004-12-01" @default.
- W2012804573 modified "2023-10-03" @default.
- W2012804573 title "A Structural Model for Mixed-Nitrate Ionic Glasses" @default.
- W2012804573 doi "https://doi.org/10.1515/zna-2004-1212" @default.
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