Pressure Induced Amorphization
Mostrando 1-1 de 1 artigos, teses e dissertações.
-
1. Estrutura e propriedades elásticas das fases alpha e gama do ZrW2O8
The crystalline structure and some elastic properties of the alpha and gamma phases of zirconium tungstate, ZrW2O8, were calculated according to Density Functional Theory using the B3LYP functional (DFT/B3LYP). The structure of alpha ZrW2O8, was optimized at different pressures and its elastic constants were estimates. The interatomic iterations, ranked in t
Publicado em: 2007