Hard disks confined within a narrow channel
arXiv:2601.16642 · doi:10.1021/acs.jpcb.6c00488
Abstract
We employ inhomogeneous integral equation theory to investigate the equilibrium properties of hard disks confined to a channel of width by hard parallel walls. If the channel width is narrowed below two disk diameters, then the system enters a quasi one-dimensional regime for which the particles cannot move past each other. In the limit when is equal to one particle diameter the system reduces to the one-dimensional bulk along the center of the channel. We study first the dimensional crossover properties of the inhomogeneous Percus-Yevick (PY) integral equation as is reduced and then investigate the behaviour of a quasi one-dimensional system as the packing of the particles is increased for a fixed value of . We find that the inhomogeneous PY equation is highly accurate for situations of quasi one-dimensional confinement and that it predicts the onset of a structural transition to a zigzag state at higher packing. The excellent performance of this integral equation method and the ease with which it handles confinement-induced dimensional crossover is a consequence of the improved resolution which comes from treating explicitly the inhomogeneous two-body correlation functions.
References in corpus (19)
- Drying and Wetting Transitions of a Lennard-Jones Fluid: Simulations and Density Functional Theory
- Understanding the ideal glass transition: Lessons from an equilibrium study of hard disks in a channel
- Glass-like behavior of a hard-disk fluid confined to a narrow channel
- Mean-Field Theory of Inhomogeneous Fluids
- Local order variations in confined hard-sphere fluids
- Hard Disks in Narrow Channels
- Correlation lengths in quasi-one-dimensional systems via transfer matrices
- Explicitly stable Fundamental Measure Theory models for classical density functional theory
- Structural precursor to freezing: An integral equation study
- Transverse excitations and zigzag transition in quasi-1D hard-disk system
- Comment on "Kosterlitz-Thouless-type caging-uncaging transition in a quasi-one-dimensional hard disk system" [Phys. Rev. Research 2, 033351 (2020)]
- Equation of state of hard-disk fluids under single-file confinement
- Structural properties of hard-disk fluids under single-file confinement
- Analytical canonical partition function of a quasi-one dimensional system of hard disks
- Prediction of a Structural Transition in the Hard Disk Fluid
- Canonical partition function and distance dependent correlation functions of a quasi-one-dimensional system of hard disks
- Exact anisotropic properties of hard spheres in narrow cylindrical confinement
- Combining integral equation closures with force density functional theory for the study of inhomogeneous fluids
- Routes to the density profile and structural inconsistency