The method of collective variables: a link with the density functional theory

Recently, based on the method of collective variables the statistical field theory for multicomponent inhomogeneous systems was formulated [O. Patsahan, I. Mryglod, J.-M. Caillol, Journal of Physical Studies, 2007, 11, 133]. In this letter we establish a link between this approach and the classical density functional theory for inhomogeneous fluids.Comment: 6 page

Spatiotemporal pattern formation in a three-variable CO oxidation reaction model

The spatiotemporal pattern formation is studied in the catalytic carbon monoxide oxidation reaction that takes into account the diffusion processes over the Pt(110) surface, which may contain structurally different areas. These areas are formed during CO-induced transition from a reconstructed phase with $1\times2$ geometry of the overlayer to a bulk-like ($1\times1$) phase with square atomic arrangement. Despite the CO oxidation reaction being non-autocatalytic, we have shown that the analytic conditions of the existence of the Turing and the Hopf bifurcations can be satisfied in such systems. Thus, the system may lose its stability in two ways --- either through the Hopf bifurcation leading to the formation of temporal patterns in the system or through the Turing bifurcation leading to the formation of regular spatial patterns. At a simultaneous implementation of both scenarios, spatiotemporal patterns for CO and oxygen coverages are obtained in the system.Comment: 11 pages, 6 figures, 1 tabl

A mesoscopic field theory of ionic systems versus a collective variable approach

We establish a link between the two functional approaches: a mesoscopic field theory developed recently by A.Ciach and G.Stell [A. Ciach and G. Stell, J. Mol. Liq. 87 (2000) 253] for the study of ionic models and an exact statistical field theory based on the method of collective variables.Comment: 7 page

A simple ansatz for the study of velocity autocorrelation functions in fluids at different timescales

A simple ansatz for the study of velocity autocorrelation functions in fluids at different timescales is proposed. The ansatz is based on an effective summation of the infinite continued fraction at a reasonable assumption about convergence of relaxation times of the higher order memory functions, which have a purely kinetic origin. The VAFs obtained within our approach are compared with the results of the Markovian approximation for memory kernels. It is shown that although in the "overdamped" regime both approaches agree to a large extent at the initial and intermediate times of the system evolution, our formalism yields power law relaxation of the VAFs which is not observed at the description with a finite number of the collective modes. Explicit expressions for the transition times from kinetic to hydrodynamic regimes are obtained from the analysis of the singularities of spectral functions in the complex frequency plane.Comment: 14 pages, 2 figure

Comment on "Collective modes and gapped momentum states in liquid Ga: Experiment, theory, and simulation"

We show that the presented in Phys.Rev.B, v.101, 214312 (2020) theoretical expressions for longitudinal current spectral function $C^L(k,\omega)$ and dispersion of collective excitations are not correct. Indeed, they are not compatible with the continuum limit and $C^L(k,\omega\to 0)$ contradicts the continuity equation.Comment: Submitted to Phys.Rev.

Some rigorous relations for partial conductivities in ionic liquids

Starting with the rigorous expressions, derived previously for the generalized transport coefficients of a multicomponent fluid, we obtained several exact relations for partial conductivities of ionic charge-asymmetric mixtures. For a simpler case of a charge-symmetric binary mixture such kind of relations was discovered experimentally by Sundheim more than 50 years ago and is known as the “universal golden rule”. Some more complicate models, describing in particular the cases of ternary and multi-component mixtures, are considered. The general relation for partial ionic conductivities is derived for a multi-component ionic fluid. It is shown that such relations can be considered in fact as an example of a more general class of rigorous expressions valid for (k, ω)-dependent quantities

Structural relaxation in pure liquids: Analysis of wavenumber dependence within the approach of generalized collective modes

Wavenumber dependence of structural relaxation in liquids is studied by the method of generalized collective modes (GCM). A new perturbation approach within the GCM method is proposed and applied in the longwavelenth limit in order to obtain analytical expressions for the wavenumber-dependent structural relaxation and sound dispersion within a simplified three-variable dynamical model. Analytical results are compared with numerical study of generalized modes within a more general five-variable dynamical model, which accounts for thermal processes in liquids. Numerical results are presented for four thermodynamic points of Lennard- Jones fluid at the reduced temperature T* = 1.71. We discuss the features of non-hydrodynamic process of structural relaxation in different regions of wavenumbers.Залежнiсть вiд хвильового числа для структурної релаксацiї в рiдинах дослiджується методом узагальнених колективних мод (УКМ). Запропоновано новий пертурбативний пiдхiд в рамках методу УКМ, що застосовано для знаходження залежної вiд хвильового числа структурної релаксацiї та дисперсiї звуку у довгохвильовiй границi в рамках спрощеної тризмiнної динамiчної моделi. Аналiтичнi результати порiвнюються iз числовими дослiдженнями узагальнених мод в рамках бiльш загальної п’ятизмiнної динамiчної моделi, що враховує термiчнi процеси в рiдинах. Представлено числовi результати для чотирьох термодинамiчних точок ленард-джонсiвського плину з приведеною температурою T* = 1.71. Обговорюються особливостi негiдродинамiчного процесу структурної релаксацiї у рiзних областях хвильових чисел

XY Spin Fluid in an External Magnetic Field

A method of integral equations is developed to study inhomogeneous fluids with planar spins in an external field. As a result, the calculations for these systems appear to be no more difficult than those for ordinary homogeneous liquids. The approach proposed is applied to the ferromagnetic XY spin fluid in a magnetic field using a soft mean spherical closure and the Born-Green-Yvon equation. This provides an accurate reproduction of the complicated phase diagram behavior obtained by cumbersome Gibbs ensemble simulation and multiple histogram reweighting techniques.Comment: 4 pages, 3 figures, submitted to Phys. Rev. Let