A Description of Multiscale Modeling for the Head-Disk Interface Focusing on Bottom-Level Lubricant and Carbon Overcoat Models

Table 2

The torsional parameters calculated from the ab initio energy profiles for the five-term (𝑁=5) truncation of the potential energy function of (2). The coefficients 𝐴_𝑛 have units of kJ/mol.

Atoms	𝐴0	𝐴1	𝐴2	𝐴3	𝐴4
F–C–C–F	9.986	−29.852	0.996	39.724	−0.791
F–C–C–H	10.798	−32.389	0.000	43.187	0.000
H–O–C–C	6.971	−20.913	0.000	27.884	0.000
H–C–C–O	9.303	−24.761	–5.309	33.390	4.338