MgTi

EAM Potential

MgTi.lammps.eam (unpublished, for beta tests only)

Other formats: imd    dl_poly    gulp

Potential plots: pair functions, density functions and embedding functions. 

First-principles database used for Magnesium-Titanium potential development. 

Lammps Examples

    Formation of MgTi multilayers       lammps input script 

    Liquid immiscibility of Mg-Ti at 2000 K    lammps input script  Mg50Ti50_bcc.dat

    Melting temperature of h.c.p Mg    lammps input script 

    Melting temperature of b.c.c Ti      lammps input script  

Potential Validation (to be updated)

Crystal equation of state: comparison between EAM and ab initio calculations

Mg-Ti Phase Diagram 

    The phase diagram of Mg-Ti is available from AtomWork. 

(click to enlarge)