Noura Dawass

4 72 S URFACE E FFECTS (a) (b) Figure 4.1: (a) RDFs for systems of different sizes of a WCA fluid at T = 2 and ρ = 0.6 (dimensionless units). MD simulations in the NV T ensemble were used to compute g ( r ), and the Ganguly and van der Vegt correction [113] was applied (Eq. (3.3) ), (b) a close–up of the plots in (a) is shown.