A first-principles description of liquid BeF2 and its mixtures with LiF: 2. Network formation in LiF-BeF2.
A polarizable ionic interaction potential, constructed from first-principles calculations, is used to examine the structure, vibrational spectra, and transport properties of molten mixtures of LiF and BeF2 across a range of compositions. The simulations reproduce the experimentally measured vibratio...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2006
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