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

Table 5

The counterpoise corrected interaction energies for lubricant-GOC clusters for single-layer (denoted as (𝑠)) and double-layer (denoted as (𝑑)) graphene. All values are in kJ/mol.

PFPE	𝑈^Cpint (𝑠)	𝑈^Cpint (𝑑)
Z-dol	−7.75	−10.17
Z-tetraol	−6.11	−25.04
DDPA	−1.70	−16.37