Modelling in relation to cation ordering
We review the methodology of using computer models to obtain quantitative information about cation ordering. Empirical interactomic potentials or ab initio electronic structure calculations are used to generate the energies for many configurations containing disordered arrangements of cations, and t...
Päätekijät: | Dove, M, Bosenick, A, Myers, E, Warren, M, Redfern, S |
---|---|
Aineistotyyppi: | Journal article |
Kieli: | English |
Julkaistu: |
Gordon and Breach Science Publ Inc
2000
|
Samankaltaisia teoksia
-
Monte Carlo methods for the study of cation ordering in minerals
Tekijä: Warren, M, et al.
Julkaistu: (2001) -
Computational methods for the study of energies of cation distributions: applications to cation-ordering phase transitions and solid solutions
Tekijä: Bosenick, A, et al.
Julkaistu: (2001) -
Ab initio simulations of cation ordering in oxides: application to spinel
Tekijä: Warren, M, et al.
Julkaistu: (2000) -
Computational study of tetrahedral Al-Si ordering in muscovite
Tekijä: Palin, E, et al.
Julkaistu: (2001) -
Disordering of MgAl2O4 spinel from first principles
Tekijä: Warren, M, et al.
Julkaistu: (2000)