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

Table 4

Potential parameters fitted by FP calculations.

(a) Morse potential (Cu-S)

Kind of pair
Unit	kJ/mole	1/nm	nm
Cu-S	298.916	1.500	2.029
(Mo-S)	(152.076)	(1.800)	(2.532)

(b) Angular potential (S-Cu-S, Cu-S-Cu)

Combination
Unit	deg.
S-Cu-S	98.966
Cu-S-Cu	98.966

(c) B-M-H ionic potential (Cu-S)

Kind of pair
Unit	nm	nm	nm
	2.5319	0.70052	1.8314

has been already obtained for MoS₂ potential [10].