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The fundamental measure approach to classical density functional theory hasbeen shown to be a powerful tool to predict various thermodynamic properties ofhard-sphere systems. We employ this approach to determine not only one-particledensities but also two-particle correlations in binary and six-componentmixtures of hard spheres in the vicinity of a hard wall. The broken isotropyenables us to carefully test a large variety of theoretically predictedtwo-particle features by quantitatively comparing them to the results ofBrownian dynamics simulations. Specifically, we determine and compare theone-particle density, the total correlation functions, their contact values,and the force distributions acting on a particle. For this purpose, we followthe compressibility route and theoretically calculate the direct correlationfunctions by taking functional derivatives. We usually observe an excellentagreement between theory and simulations, except for small deviations in caseswhere local crystal-like order sets in. Our results set the course for furtherinvestigations on the consistency of functionals as well as for structuralanalysis on, e.g., the primitive model. In addition, we demonstrate that due tothe suppression of local crystallization, the predictions of six-componentmixtures are better than those in bidisperse or monodisperse systems. Finally,we are confident that our results of the structural modulations induced by thewall lead to a deeper understanding of ordering in anisotropic systems ingeneral, the onset of heterogeneous crystallization, caging effects, and glassydynamics close to a wall, as well as structural properties in systems withconfinement.

physical review. e, statistical, nonlinear and soft matter physics

Anisotropic pair correlations in binary and multicomponent hard-sphere  mixtures in the vicinity of a hard wall: A combined density functional theory  and simulation study