Абстрактный

The Miscibility Of ZnSXSe1-X Using A Three-Body Potential

F.Z.Aoumeur-Benkabou, M.Maachou, M.Rahal-Sekkal

Molecular dynamics simulation is being widely applied in condensed matter physics, rather monte carlo simulation, whenever the dynamic properties are of much interest. Particulary of equilibrium and non-equilibrium phenomena, transport phenomena, diffusivity, specific heat and phase transitions etc. Therefore, we have used this method, in order to obtain more informations about the structural, elastic and thermodynamic properties of ZnS0.25Se0.75, ZnS0.5Se0.5 and ZnS0.75Se0.25. We have also predicted the disorder effect (bowing parameter).