Simulation of the liquid-vapor interface of molten LiBeF3

The structural properties of the liquid-vapor interface of an equimolar mixture of LiF and BeF2 are studied by molecular dynamics. The interaction potential include anion polarization and was constructed from first-principle calculations. The simulation result for the surface tension is in good agre...

Full description

Bibliographic Details
Main Authors: Salanne, M, Simon, C, Turq, P, Madden, P
Format: Journal article
Language:English
Published: 2007