| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561983 | Computational Materials Science | 2012 | 5 Pages |
The structural properties of the liquid gallium arsenides have been studied using the molecular dynamics (MD) method. Simulations were done in the basic cube under periodic boundary conditions containing 3000 ions for Ga50As50, Ga66.67As33.33 and Ga33.33As66.67 models. The microstructure of the systems has been analyzed through the partial radial distribution functions (PRDF), coordination number distributions, bond-angle distributions, inter-atomic distances, and ring statistics. The evolution of structure upon cooling from the melt of GanAsm was observed and discussed. We found that calculated data agree well with the experimental ones and with those obtained previously in other simulation works.
► Structural properties of the liquid GanAsm are investigated via MD simulations. ► The structural symmetry of systems is identified clearly. ► The enhancement of the twofold rings forms the prepeaks in the systems.
