Local structure of liquid CaAl2O4 from ab initio molecular dynamics simulations

V. Cristiglio (1) , L. Hennet (2) , G.J. Cuello (3) , I. Pozdnyakova (2) , M.R. Johnson (3) , H.E. Fischer (3) , D. Zanghi (2) , D.L. Price (4)

1 ESRF - European Synchrotron Radiation Facility
2 CEMHTI - Conditions Extrêmes et Matériaux : Haute Température et Irradiation
3 ILL - Institut Laue-Langevin
4 CRCEM - Ctr Rech Condit Extremes & Mat

Domaines: Science des matériaux [cond-mat.mtrl-sci]

V. Cristiglio, L. Hennet, G.J. Cuello, I. Pozdnyakova, M.R. Johnson, et al.. Local structure of liquid CaAl2O4 from ab initio molecular dynamics simulations. Journal of Non-Crystalline Solids, 2008, 354 (47-51), pp.5337-5339. ⟨10.1016/j.jnoncrysol.2008.04.054⟩. ⟨hal-02540158⟩