From atomic structure to excess entropy: a neutron diffraction and density functional theory study of CaO−Al 2 O 3 −SiO 2 melts

Maoyuan Liu , Aurélie Jacob , Clemens Schmetterer (1) , Patrick Masset (2) , Louis Hennet (3) , Henry Fischer (4) , Jad Kozaily (3) , Sandro Jahn (5) , Angus Gray-Weale

1 Department of Inorganic Chemistry/Materials Chemistry
2 ASB - ASB-Aerospatiale Batteries
3 CEMHTI - Conditions Extrêmes et Matériaux : Haute Température et Irradiation
4 ILL
5 GFZ - German Research Centre for Geosciences - Helmholtz-Centre Potsdam

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

Maoyuan Liu, Aurélie Jacob, Clemens Schmetterer, Patrick Masset, Louis Hennet, et al.. From atomic structure to excess entropy: a neutron diffraction and density functional theory study of CaO−Al 2 O 3 −SiO 2 melts. Journal of Physics: Condensed Matter, 2016, 28 (13), pp.135102. ⟨10.1088/0953-8984/28/13/135102⟩. ⟨hal-02534040⟩