Computational methods for the study of energies of cation distributions: applications to cation-ordering phase transitions and solid solutions
The structural and thermodynamic properties of minerals are strongly affected by cation site-ordering processes. We describe methods to determine the main interatomic interactions that drive the ordering process, which are based on parameterizing model Hamiltonians using empirical interatomic potent...
| 主要な著者: | , , , , , , , , |
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| フォーマット: | Journal article |
| 言語: | English |
| 出版事項: |
2001
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