Effects of water molecules on tribological behavior and property measurements in nano-indentation processes - a numerical analysis

Table 2 LJ potential parameters for O-O, O-Cu, O-C, C-H, and Cu-H atom pairs

Parameter	O-O	O-Cu	O-C	C-H	Cu-H
Equilibrium distance (σ, Å)	3.166	2.744	3.6	2.81	2.135
Cohesive energy (ϵ, 10⁻³ eV)	6.736	62.0	5.5	2.12	22.48
Cutoff distance (Å)	9.8	7.0	7.0	7.0	7.0
Bond length (Å)	1
H-O-H angle (deg)	109.47
q _O	−0.847 e
q _H	(q_O)/2