NiP
Ni-P (nickel-phosphorus) EAM Potential
Latest: NiP.lammps.eam (10/18/2011)
Reference: H.W. Sheng, E. Ma and M. J. Kramer, Relating Dynamic Properties to Atomic Structure in Metallic Glasses, JOM 64, 856 (2012)
Potential plots: pair functions, density functions and embedding functions.
First-principles database used for NiP potential development.
Lammps Examples
Formation of Ni80P20 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 NiP metallic glasses
Comparison between experimental and MD simulation structure factors at room temperature.
Experimentally, Ni80P20 metallic glass was prepared with the electrodeposition method by W.K. Luo and E. Ma at JHU. Experimental structure factor data for Ni80P20 MG was obtained by F.M. Alamgir (see Figure 1, H.W. Sheng, et.al., Nature, 439, 419, 2006) .
Ni-P Phase Diagram
(click to enlarge)
More info about the Ni-P phase diagram
Ni-P Crystal Structures