Noura Dawass

3 62 F INITE -S IZE E FFECTS (a) (b) (c) Figure 3.8: The natural logarithm of the difference between RDFs from MD simulation of systems with finite sizes, g ( r ), and RDF from simulation of systemwith very large size, g L = 80 ( r ). The RDFs are computed for the binary WCA mixture with: x 1 = 0.75, T ∗ = 1.8, and ρ ∗ = 0.7. The differences are computed for three different simulation box sizes (a) L box = 10, (b) L box = 20, and (c) L box = 40. For each system size, the difference between g ( r ) and g L box = 80 ( r ) is computed at each r . The different colors represent different RDF correction methods (section 3.3) .