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Physical review. E

Critical energy-density profile near walls

Zoran Borjan, Oleg A. Vasilyev, Paul J. Upton, S. Dietrich

Published Aug 24, 2020• 2 citations
Publisher

Abstract

We examine critical adsorption for semi-infinite thermodynamic systems of the Ising universality class when they are in contact with a wall of the so-called normal surface universality class in spatial dimension d=3 and in the mean-field limit. We apply local-functional theory and Monte Carlo simulations in order to quantitatively determine the properties of the energy density as the primary scaling density characterizing the critical behaviors of Ising systems besides the order parameter. Our results apply to the critical isochore, near two-phase coexistence, and along the critical isotherm if the surface and the weak bulk magnetic fields are either collinear or anticollinear. In the latter case, we also consider the order parameter, which so far has yet to be examined along these lines. We find the interface between the surface and the bulk phases at macroscopic distances from the surface, i.e., the surface is "wet." It turns out that in this case the usual property of monotonicity of primary scaling densities with respect to the temperature or magnetic field scaling variable does not hold for the energy density due to the presence of this interface.

DOI
10.1103/physreve.102.022805

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Physical Review E•Mar 12, 2015•3 citations
We examine critical adsorption for semi-infinite thermodynamic systems of the Ising universality class when they are in contact with a wall of the so-called normal surface universality class in spatial dimension d=3 and in the mean-field limit. We apply local-functional theory and Monte Carlo simulations in order to quantitatively determine the properties of the energy density as the primary scaling density characterizing the critical behaviors of Ising systems besides the order parameter. Our results apply to the critical isochore, near two-phase coexistence, and along the critical isotherm if the surface and the weak bulk magnetic fields are either collinear or anticollinear. In the latter case, we also consider the order parameter, which so far has yet to be examined along these lines. We find the interface between the surface and the bulk phases at macroscopic distances from the surface, i.e., the surface is "wet." It turns out that in this case the usual property of monotonicity of primary scaling densities with respect to the temperature or magnetic field scaling variable does not hold for the energy density due to the presence of this interface.
The excess adsorption Gamma in two-dimensional Ising strips (infinityxL), subject to identical boundary fields at both one-dimensional surfaces decaying in the orthogonal direction j as -h1j(-p), is studied for various values of p and along various thermodynamic paths below the bulk critical point by means of the density-matrix renormalization-group method. The crossover behavior between the complete-wetting and critical-adsorption regimes, occurring in semi-infinite systems, is strongly influenced by confinement effects. Along isotherms T=const the asymptotic power-law dependences on the external bulk field, which characterize these two regimes, are pre-empted by capillary condensation. Along the pseudo-first-order phase-coexistence line of the strips, which varies with temperature, we find a broad crossover regime in which both the thickness of the wetting film and Gamma increase as functions of the reduced temperature tau but do not follow any power law. Above the wetting temperature the order-parameter profiles are not slablike but exhibit wide interfacial variations and pronounced tails.
We study the surface critical behavior of semi-infinite systems belonging to the bulk universality class of the Ising model. Special attention is paid to the local behavior of experimentally relevant quantities such as the order parameter and the correlation function in the crossover regimes between different surface universality classes, where the surface field h1 and the temperature enhancement c can induce additional macroscopic length scales. Starting from the field-theoretical φ4 model and employing renormalization-group improved perturbation theory (ϵ-expansion), explicit results for the local behavior of the correlation and structure function (zero-loop) and the order parameter (one-loop) are derived. Supplementing earlier studies that focused on the special transition, we here pay particular attention to the situation where a large c suppresses the tendency to order in the surface (ordinary transition) but a surface field h1 generates a small surface magnetization m1. Our results are in good agreement with recent phenomenological considerations and Monte Carlo studies devoted to similar questions and, combined with the latter, provide a much more detailed understanding of the local properties of systems with weak surface fields.
Two-dimensional Ising strips subject to identical surface fields h(1)=h(2) > or =0 are studied for temperatures above and below the bulk critical temperature T(c) and a range of bulk fields h by means of the density-matrix renormalization-group method. In the case of nonvanishing surface fields, the near-critical behavior of the solvation force f(solv), total adsorption Gamma, inverse longitudinal correlation length xi(parallel)( -1) and specific heat C(H) is strongly influenced by the (pseudo) capillary condensation that occurs below T(c). We obtain scaling functions of f(solv), Gamma, and xi(parallel)(-1). C(H) exhibits a weakly rounded singularity on crossing the pseudocoexistence line. We contrast these results with those for the case of free boundaries where, for temperatures slightly below T(c), f(solv) and C(H) exhibit a sharp extremum away from h=0. Our results have direct repercussions for the properties of near-critical Ising films in three dimensions and we argue that the long-ranged solvation (Casimir) force in confined fluids should be more attractive in the neighborhood of the capillary critical point than exactly at the bulk critical point.
Universality classes encompass the analogous thermodynamic behavior of unlike physical systems, at different spatial dimensions ddd, in the vicinity of their critical point. Critical exponents define these classes, with the Ising model being the outstanding prototype that elucidates the differences from the mean-field category, believed to be valid above a critical dimension only. Here, in apparent striking contradiction to the Ising universality class, we demonstrate that the critical behavior of a finite Ising system of NNN spins in d=3d = 3d=3 obeys mean-field Landau theory in the vicinity of its critical point, with classical critical exponents. Yet, when expressed in terms of the linear size LLL of the system, the free energy unveils its proper finite-size scaling form, from which the thermodynamic limit critical temperature TcT_cTc​ and the Ising critical exponents ννν, γγγ and βββ can be identified. We find that the larger the size LLL, the smaller the mean-field region, shrinking to zero in the thermodynamic limit. These conclusions are achieved via the use of an alternative approach to collect data from a Monte Carlo simulation of a three-dimensional Ising model that allows for the evaluation of the free energy per spin f=f(T,m;L)f = f(T,m;L)f=f(T,m;L) and of the coexistence curve, or spontaneous magnetization at zero magnetic field, mcoex=m(T;L)m_{\rm coex} = m(T;L)mcoex​=m(T;L) as functions of temperature TTT and magnetization per spin m=M/Nm = M/Nm=M/N. Our results suggest a revision of the role of mean-field theory in the elucidation of critical phenomena.
I use an exact variational formulation of Mikheev and Fisher to study the critical Ising strip with a grain boundary and confining surfaces characterized by arbitrary and different surface magnetic fields. Energy density profiles that serve as order parameters of the system within the used method show strong nonmonotonous behavior in the vicinity of confining surfaces. I consider short-distance expansion of energy density profiles. New universal amplitudes associated with distant-wall corrections exhibit nontrivial crossover behaviors from positive to negative values as the field's variables are continuously varied. Casimir amplitudes calculated in a self-contained manner are characterized by complex manifolds which may comprise two disconnected positive wings separated by an area of negative values. I define and determine the generalized de Gennes-Fisher amplitude, which strongly suggests that a stress tensor is present within one of the distant-wall corrections. This is an unanticipated result given that a similar discovery for standard extraordinary (E) and ordinary (O) surface universality classes was based on the conformal invariance symmetry, which is broken under the present boundary conditions. A grain boundary essentially influences both energy density profiles and Casimir amplitudes, besides surface fields with a number of accompanying features that are examined in detail. We present closed analytic forms of energy density profiles for standard (N) and (O) BCs: ɛNN(x,g),ɛOO(x,g),ɛNO(x,g) [(N) is the normal surface universality class, g is the grain boundary's strength, x is the relative distance x:=z/L with L as a film width], thus enabling us to deduce their important symmetry properties and to have a detailed insight into their general behaviors.