Structural properties of liquids in extreme confinement
arXiv:2208.08403 · doi:10.1103/PhysRevE.106.014614
Abstract
We simulate a hard-sphere liquid in confined geometry where the separation of the two parallel, hard walls is smaller than two particle diameters. By systematically reducing the wall separation we analyze the behavior of structural and thermodynamic properties, such as inhomogeneous density profiles, structure factors, and compressibilities when approaching the two-dimensional limit. In agreement with asymptotic predictions, we find for quasi-two-dimensional fluids that the density profile becomes parabolic and the structure factor converges towards its two-dimensional counterpart. To extract the compressibility in polydisperse samples a perturbative expression is used which qualitatively influences the observed non-monotonic dependence of the compressibility with wall separation. We also present theoretical calculations based on fundamental-measure theory and integral-equation theory, which are in very good agreement with the simulation results.
arXiv commentPublished in Physical Review E, https://journals.aps.org/pre/abstract/10.1103/PhysRevE.106.014614
References in corpus (23)
- Layering and position-dependent diffusive dynamics of confined fluids
- Phase behavior of hard spheres confined between parallel hard plates: Manipulation of colloidal crystal structures by confinement
- DynamO: A free O(N) general event-driven molecular-dynamics simulator
- Thermodynamics predicts how confinement modifies hard-sphere dynamics
- Two-stage melting induced by dislocations and grain boundaries in Monolayers of Hard Spheres
- Suppressed compressibility at large scale in jammed packings of size disperse spheres
- Glass Transition in Confined Geometry
- Multiple reentrant glass transitions in confined hard-sphere glasses
- Mode-coupling theory of the glass transition for confined fluids
- Fluids in Extreme Confinement
- How Close to Two Dimensions Does a Lennard-Jones System Need to Be to Produce a Hexatic Phase?
- Structure and dynamics of binary liquid mixtures near their continuous demixing transitions
- Local order variations in confined hard-sphere fluids
- Structural quantities of quasi-two-dimensional fluids
- Diverging time scale in the dimensional crossover for liquids in strong confinement
- Non-monotonic effect of confinement on the glass transition
- Nonergodicity parameters of confined hard-sphere glasses
- Confinement-induced demixing and crystallization
- Onset of anomalous diffusion in colloids confined to quasi-monolayers
- Static properties of quasi-confined hard-sphere fluids
- Dynamical properties of densely packed confined hard-sphere fluids
- Strongly confined fluids: Diverging time scales and slowing down of equilibration
- Tagged-particle dynamics in confined colloidal liquids
Cited by in corpus (5)
- Equation of state of hard-disk fluids under single-file confinement
- Structural properties of hard-disk fluids under single-file confinement
- Exact equilibrium properties of square-well and square-shoulder disks in single-file confinement
- Computer Simulations and Mode-Coupling Theory of Glass-Forming Confined Hard-Sphere Fluids
- Inhomogeneous Diffusion in Confined Colloidal Suspensions