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Structural properties of hard-disk fluids under single-file confinement

Ana M. Montero, Andrés Santos

2023The Journal of Chemical Physics16 citationsDOI

Abstract

The structural properties of confined single-file hard-disk fluids are studied analytically by means of a mapping of the original system onto a one-dimensional mixture of non-additive hard rods, the mapping being exact in the polydisperse limit. Standard statistical-mechanical results are used as a starting point to derive thermodynamic and structural properties of the one-dimensional mixture, where the condition that all particles have the same chemical potential must be taken into account. Analytical results are then provided for the nth neighbor probability distribution function, the radial distribution function, and the structure factor, a very good agreement being observed upon comparison with simulation data from the literature. Moreover, we have analyzed the scaling form for the disappearance of defects in the zigzag configuration for high pressure and have obtained the translational correlation length and the structural crossover in the oscillation frequency for asymptotically large distances.

Topics & Concepts

ZigzagScalingStatistical physicsFunction (biology)CrossoverThermodynamic limitCorrelation function (quantum field theory)Radial distribution functionLimit (mathematics)Distribution functionStatistical ensembleOscillation (cell signaling)PhysicsDistribution (mathematics)ThermodynamicsMathematicsMathematical analysisMonte Carlo methodMolecular dynamicsChemistryComputer scienceGeometryCanonical ensembleStatisticsQuantum mechanicsBiochemistryArtificial intelligenceEvolutionary biologyBiologyDielectricPhase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesHigh-pressure geophysics and materials
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