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...

Бүрэн тодорхойлолт

Номзүйн дэлгэрэнгүй
Үндсэн зохиолчид: Dove, M, Bosenick, A, Myers, E, Warren, M, Redfern, S
Формат: Journal article
Хэл сонгох:English
Хэвлэсэн: Gordon and Breach Science Publ Inc 2000