Crystallization and phase-separation in non-additive binary hard-sphere mixtures

We calculate for the first time the full phase-diagram of an asymmetric non-additive hard-sphere mixture. The non-additivity strongly affects the crystallization and the fluid-fluid phase-separation. The global topology of the phase-diagram is controlled by an effective size-ratio y_{eff}, while the fluid-solid coexistence scales with the depth of the effective potential well.Comment: 4 pages, 4 figures, to appear in Phys. Rev.

The structure of colloid-polymer mixtures

We investigate the structure of colloid-polymer mixtures by calculating the structure factors for the Asakura-Oosawa model in the PY approximation. We discuss the role of potential range, polymer concentration and polymer-polymer interactions on the colloid-colloid structure. Our results compare reasonably well with the recent experiments of Moussa\"{i}d et. al. for small wavenumber $k$, but we find that the Hansen-Verlet freezing criterion is violated when the liquid phase becomes marginal.Comment: 7 pages, 4 figures, to appear in EuroPhys. Let

Relationship between Local Molecular Field Theory and Density Functional Theory for non-uniform liquids

The Local Molecular Field Theory (LMF) developed by Weeks and co-workers has proved successful for treating the structure and thermodynamics of a variety of non-uniform liquids. By reformulating LMF in terms of one-body direct correlation functions we recast the theory in the framework of classical Density Functional Theory (DFT). We show that the general LMF equation for the effective reference potential phi_R follows directly from the standard mean-field DFT treatment of attractive interatomic forces. Using an accurate (Fundamental Measures) DFT for the non-uniform hard-sphere reference fluid we determine phi_R for a hard-core Yukawa liquid adsorbed at a planar hard wall. In the approach to bulk liquid-gas coexistence we find the effective potentials exhibit rich structure that can include damped oscillations at large distances from the wall as well as the repulsive hump near the wall required to generate the low density 'gas' layer characteristic of complete drying. We argue that it would be difficult to obtain the same level of detail from other (non DFT based) implementations of LMF. LMF emphasizes the importance of making an intelligent division of the interatomic pair potential of the full system into a reference part and a remainder that can be treated in mean-field approximation. We investigate different divisions for an exactly solvable one- dimensional model where the pair potential has a hard-core plus a linear attractive tail. Results for the structure factor and the equation of state of the uniform fluid show that including a significant portion of the attraction in the reference system can be much more accurate than treating the full attractive tail in mean-field approximation. We discuss further aspects of the relationship between LMF and DFT.Comment: 35 pages, 10 Fig

Asymptotic decay of pair correlations in a Yukawa fluid

We analyse the $r \to \infty$ asymptotic decay of the total correlation function, $h(r)$, for a fluid composed of particles interacting via a (point) Yukawa pair potential. Such a potential provides a simple model for dusty plasmas. The asymptotic decay is determined by the poles of the liquid structure factor in the complex plane. We use the hypernetted-chain closure to the Ornstein-Zernike equation to determine the line in the phase diagram, well-removed from the freezing transition line, where crossover occurs in the ultimate decay of $h(r)$, from monotonic to damped oscillatory. We show: i) crossover takes place via the same mechanism (coalescence of imaginary poles) as in the classical one-component plasma and in other models of Coulomb fluids and ii) leading-order pole contributions provide an accurate description of $h(r)$ at intermediate distances $r$ as well as at long range.Comment: 5 pages, 3 figure

Time-oscillating Lyapunov modes and auto-correlation functions for quasi-one-dimensional systems

The time-dependent structure of the Lyapunov vectors corresponding to the steps of Lyapunov spectra and their basis set representation are discussed for a quasi-one-dimensional many-hard-disk systems. Time-oscillating behavior is observed in two types of Lyapunov modes, one associated with the time translational invariance and another with the spatial translational invariance, and their phase relation is specified. It is shown that the longest period of the Lyapunov modes is twice as long as the period of the longitudinal momentum auto-correlation function. A simple explanation for this relation is proposed. This result gives the first quantitative connection between the Lyapunov modes and an experimentally accessible quantity.Comment: 4 pages, 3 figure

Coarse-graining polymers as soft colloids

We show how to coarse grain polymers in a good solvent as single particles, interacting with density-independent or density-dependent interactions. These interactions can be between the centres of mass, the mid-points or end-points of the polymers. We also show how to extend these methods to polymers in poor solvents and mixtures of polymers. Treating polymers as soft colloids can greatly speed up the simulation of complex many-polymer systems, including polymer-colloid mixtures.Comment: to appear in Physica A, special STATPHYS 2001 edition. Content of invited talk by AA

Unitarity of the infinite-volume three-particle scattering amplitude arising from a finite-volume formalism

In a previous publication, two of us derived a relation between the scattering amplitude of three identical bosons, $\mathcal M_3$, and a real function referred to as the {divergence-free} K matrix and denoted $\mathcal K_{\text{df},3}$. The result arose in the context of a relation between finite-volume energies and $\mathcal K_{\text{df},3}$, derived to all orders in the perturbative expansion of a generic low-energy effective field theory. In this work we set aside the role of the finite volume and focus on the infinite-volume relation between $\mathcal K_{\text{df},3}$ and $\mathcal M_3$. We show that, for any real choice of $\mathcal K_{\text{df},3}$, $\mathcal M_3$ satisfies the three-particle unitarity constraint to all orders. Given that $\mathcal K_{\text{df},3}$ is also free of a class of kinematic divergences, the function may provide a useful tool for parametrizing three-body scattering data. Applications include the phenomenological analysis of experimental data (where the connection to the finite volume is irrelevant) as well as calculations in lattice quantum chromodynamics (where the volume plays a key role).Comment: 19 pages, 4 figures, JLAB-THY-19-2945, CERN-TH-2019-07

Modal cut-off and the V-parameter in photonic crystal fibers

We address the long-standing unresolved problem concerning the V-parameter in a photonic crystal fiber (PCF). Formulate the parameter appropriate for a core-defect in a periodic structure we argue that the multi-mode cut-off occurs at a wavelength lambda* which satisfies V_PCF(lambda*)=pi. Comparing to numerics and recent cut-off calculations we confirm this result.Comment: 3 pages including 2 figures. Accepted for Optics Letter

Density functional theory for hard-sphere mixtures: the White-Bear version Mark II

In the spirit of the White-Bear version of fundamental measure theory we derive a new density functional for hard-sphere mixtures which is based on a recent mixture extension of the Carnahan-Starling equation of state. In addition to the capability to predict inhomogeneous density distributions very accurately, like the original White-Bear version, the new functional improves upon consistency with an exact scaled-particle theory relation in the case of the pure fluid. We examine consistency in detail within the context of morphological thermodynamics. Interestingly, for the pure fluid the degree of consistency of the new version is not only higher than for the original White-Bear version but also higher than for Rosenfeld's original fundamental measure theory.Comment: 16 pages, 3 figures; minor changes; J. Phys.: Condens. Matter, accepte