Can I read Investigation of Thermodynamic Properties of Molten Rare Earth Trichlorides by Molecular Dynamics Method on EtoBox?

Investigation of Thermodynamic Properties of Molten Rare Earth Trichlorides by Molecular Dynamics Method by Yoshihiro Okamoto; Hirokazu Hayashi; Toru Ogawa is a Materials Science article available to read on EtoBox.

What is Investigation of Thermodynamic Properties of Molten Rare Earth Trichlorides by Molecular Dynamics Method about?

The physical and thermodynamic properties of molten rare earth trichlorides were investigated by the molecular dynamics (MD) technique. In addition to a fully ionic model, partially ionic models, in which covalency was considered in the nearest unlike ion pair (cation-chloride ion), was used in the present work. The liquid structure, shear viscosity and enthalpy of molten YC13 and LaCI 3 calculated from the MD simulation were compared with the experimental data. It is concluded that the partially ionic model can better represent the experimental data than the fully ionic model.

Who reads Investigation of Thermodynamic Properties of Molten Rare Earth Trichlorides by Molecular Dynamics Method?

Author

Yoshihiro Okamoto; Hirokazu Hayashi; Toru Ogawa

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0022-3115)

Published

1997

Language

EN

Field

Materials Science (Physical Sciences)