Molecular Dynamics Study on Lubrication Mechanism in Crystalline Structure between Copper and Sulfur

Table 3

Interatomic potential parameters for Cu₂S crystal.

(a) B-M-H potential

Atoms
Unit	[Å]	[Å]	[⋅Å^3/mol^0.5]
Cu	0.696	0.085	0.000
S	1.831	0.085	70.000

(b) Morse potential

Application
Unit	[kJ/mol]	[1/Å]	[Å]
Cu-S	152.076	1.800	2.532

(c) Angular potential

Application
Unit	[kJ/mol]	[deg.]
Cu-S-Cu	196.648	98.943
S-Cu-S	196.648	98.943