Embedded Files
EAM Potential
EAM Potential
Latest: NiCoCr.lammps.eam (9/10/2019) (click to download).
Citation: Q.J. Li, H.W. Sheng, and E. Ma, Strengthening in multi-principal element alloys with local-chemical-order roughened dislocation pathways, Nature Communications 10, 3563 (2019)
contact hsheng@gmu.edu for questions.
Lammps Examples
Lammps Examples
MD simulation of medium-entropy-alloy NiCoCr: input script and initial atomic configuration
Equation of states of Ni-Co-Cr crystal structures predicted by EAM
Equation of states of Ni-Co-Cr crystal structures predicted by EAM
Single elements
Single elements
Binary intermetallics
Ni-Co-Cr ternary solid solutions
Generalized stacking fault energies of NiCoCr MEA
Generalized stacking fault energies of NiCoCr MEA
Phonon dispersion line-broadening of NiCoCr MEA
Phonon dispersion line-broadening of NiCoCr MEA
Mechanical properties and lattice parameters of f.c.c. NiCoCr solid solutions
Mechanical properties and lattice parameters of f.c.c. NiCoCr solid solutions
Nano-heterogeneities of simulated NiCoCr MEA
Nano-heterogeneities of simulated NiCoCr MEA
Large-scale MD simulation of dislocation detrapping in the NiCoCr MEA
Large-scale MD simulation of dislocation detrapping in the NiCoCr MEA
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