SmAl

Sm-Al EAM Potential

Latest: SmAl.lammps.eam (07/12/2017)

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

First-principles database used for Sm-Al potential development. 

Lammps Examples

Formation of Al90Sm10 Metallic Glass

   Lammps input script and initial configuration containing 32,000 atoms  

Potential Validation 

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

See below for more details of each crystal structure. 

X-ray structure factors of Al90Sm10 metallic glasses

Comparison between experimental and MD simulation structure factors at room temperature.

The Sm90La10 metallic glass was prepared by vapor deposition. The X-ray diffraction data were collected at Advanced Photon Source, Sector XOR.

(see a related publication by H.W. Sheng et al, TBD)

Sm-Al Phase Diagram 

(click to enlarge)

 More info about the La-Al phase diagram

Sm-Al Crystal Structures