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. 2021 Oct 29;9:773015. doi: 10.3389/fchem.2021.773015

TABLE 1.

The 2NN MEAM interaction potential parameters for Ti, Cr and N. The units of the cohesive energy E cand the equilibrium nearest-neighbor distance r e are eV and Å, respectively. All the other parameters are dimensionless. The reference structures for Ti, Cr and N are hcp, fcc and dimer, respectively.

Ec re α A β(0) β(1) β(2) β(3) t(1) t(2) t(3) Cmin Cmax d
Ti a 4.87 2.92 4.63 1.17 1.32 0.0 1.95 5.0 5.3 14.1 -5.0 1.0 1.44 0.0
Cr b 4.1 2.495 5.58 0.42 6.81 1.0 1.0 1.0 0.3 5.9 -10.4 0.71 2.8 0.0
N c 4.88 1.10 5.96 1.8 2.75 4.0 4.0 4.0 0.05 1.0 0.0 2.0 2.8 0.0