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La-Al EAM Potential
La-Al EAM Potential
Latest: LaAl.lammps.eam (10/23/2011)
Potential plots: pair functions, density functions and embedding functions.
First-principles database used for La-Al potential development.
Lammps Examples
Lammps Examples
Formation of Al90La10 Metallic Glass
lammps input script and initial configuration containing 32,000 atoms
Potential Validation
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 Al90La10 metallic glasses
Comparison between experimental and MD simulation structure factors at room temperature.
The Al90La10 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, Atomic packing in multicomponent aluminum-based metallic glasses, Acta Mater. 56, 6264 2008)
La-Al Phase Diagram
La-Al Phase Diagram
(click to enlarge)
More info about the La-Al phase diagram
La-Al Crystal Structures
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