J. M. Romero-Enrique

A universal curve for the magnetocaloric effect: an analysis based on scaling relations

The universal character of the recent experimentally found master curve for the magnetic entropy change, ΔSM, in studies of the magnetocaloric response of materials is analytically justified by using scaling arguments. The validity of the obtained scaling relations is checked against experimental data as well as the mean field and Heisenberg models. The curves are unique for each universality class. It is shown that the universal curve can be practically constructed in two different ways, reducing the number of required parameters with respect to the previous phenomenological derivation. This opens the possibility of an inexpensive screening of the performance of magnetocaloric materials, as it allows extrapolations to magnetic fields or temperatures not available in some laboratories.

The magnetocaloric effect in materials with a second order phase transition: Are TC and Tpeak necessarily coincident?

Using the Arrott–Noakes equation of state it is shown that the Curie point (TC) and the temperature where the magnetic entropy change is maximum (Tpeak) coincide only in the mean field approximation, but the Heisenberg model implies that Tpeak>TC even for homogeneous materials. The distance between Tpeak and TC increases with applied magnetic field following a power law. In both cases, TC corresponds to a singular point in the temperature dependence of the magnetic entropy change. The field dependence of the magnetic entropy change is exactly the same at the Curie temperature and at the temperature of the peak.

Coexistence and Criticality in Size-Asymmetric Hard-Core Electrolytes

Liquid-vapor coexistence curves and critical parameters for hard-core 1:1 electrolyte models with diameter ratios lambda = sigma(-)/sigma(+) = 1 to 5.7 have been studied by fine-discretization Monte Carlo methods. Normalizing via the length scale sigma(+/-) = 1 / 2(sigma(+)+sigma(-)), relevant for the low densities in question, both T(*)(c) ( = k(B)T(c)sigma(+/-)/q(2)) and rho(*)(c) ( = rho(c)sigma(3)(+/-)) decrease rapidly (from approximately 0.05 to 0.03 and 0.08 to 0.04, respectively) as lambda increases. These trends, which unequivocally contradict current theories, are closely mirrored by results for tightly tethered dipolar dimers (with T(*)(c) lower by approximately 0%-11% and rho(*)(c) greater by 37%-12%).

Field dependence of the adiabatic temperature change in second order phase transition materials: Application to Gd

The field dependence of the adiabatic temperature change ΔTad of second order phase transition materials is studied, both theoretically and experimentally. Using scaling laws, it is demonstrated that, at the Curie temperature, the field dependence of ΔTad is characterized by H1/Δ. Therefore, as the magnetic entropy change ΔSM follows a H(1−α)/Δ power law, these two dependencies coincide only in the case of a mean field model. A phenomenological construction of a universal curve for ΔTad is presented, and its theoretical justification is also given. This universal curve can be used to predict the response of materials in different conditions not available in the laboratory (extrapolations in field or temperature), for enhancing the resolution of the data and as a simple screening procedure for the characterization of materials.

Dipolar origin of the gas-liquid coexistence of the hard-core 1:1 electrolyte model.

We present a systematic study of the effect of the ion pairing on the gas-liquid phase transition of hard-core 1:1 electrolyte models. We study a class of dipolar dimer models that depend on a parameter R(c), the maximum separation between the ions that compose the dimer. This parameter can vary from sigma(+/-) that corresponds to the tightly tethered dipolar dimer model to R(c)--> infinity that corresponds to the Stillinger-Lovett description of the free ion system. The coexistence curve and critical point parameters are obtained as a function of R(c) by grand-canonical Monte Carlo techniques. Our results show that this dependence is smooth but nonmonotonic and converges asymptotically towards the free ion case for relatively small values of R(c). This fact allows us to describe the gas-liquid transition in the free ion model as a transition between two dimerized fluid phases. The role of the unpaired ions can be considered as a perturbation of this picture.

Derivation of a non-local interfacial Hamiltonian for short-ranged wetting: I. Double-parabola approximation

We derive a non-local effective interfacial Hamiltonian model for short-ranged wetting phenomena using a Greens function method. The Hamiltonian is characterized by a binding potential functional and is accurate to exponentially small order in the radii of curvature of the interface and the bounding wall. The functional has an elegant diagrammatic representation in terms of planar graphs which represent different classes of tube-like fluctuations connecting the interface and wall. For the particular cases of planar, spherical and cylindrical interfacial (and wall) configurations, the binding potential functional can be evaluated exactly. More generally, the non-local functional naturally explains the origin of the effective position-dependent stiffness coefficient in the small-gradient limit.

Orientational transitions in a nematic liquid crystal confined by competing surfaces

The effect of confinement on the orientational structure of a nematic liquid crystal model has been investigated by using a version of density-functional theory. We have focused on the case of a nematic confined by opposing flat surfaces, in slab geometry (slit pore), which favor planar molecular alignment (parallel to the surface) and homeotropic alignment (perpendicular to the surface), respectively. The spatial dependence of the tilt angle of the director with respect to the surface normal has been studied, as well as the tensorial order parameter describing the molecular order around the director. For a pore of given width, we find that, for weak surface fields, the alignment of the nematic director is perpendicular to the surface in a region next to the surface favoring homeotropic alignment, and parallel along the rest of the pore, with a sharp interface separating these regions (S phase). For strong surface fields, the director is distorted uniformly, the tilt angle exhibiting a linear dependence on the distance normal to the surface (L phase). Our calculations reveal the existence of a first-order transition between the two director configurations, which is driven by changes in the surface field strength, and also by changes in the pore width. In the latter case the transition occurs, for a given surface field, between the S phase for narrow pores and the L phase for wider pores. A link between the L-S transition and the anchoring transition observed for the semi-infinite case is proposed.

Freezing of hard spheres confined in narrow cylindrical pores

Monte Carlo simulations for the equation of state and phase behavior of hard spheres confined inside very narrow hard tubes are presented. For pores whose radii are greater than 1.1 hard sphere diameters, a sudden change in the density and the microscopic structure of the fluid is neatly observed, indicating the onset of freezing. In the high-density structure the particles rearrange in such a way that groups of three particles fit in sections across the pore.

Nonlocality and short-range wetting phenomena.

We propose a nonlocal interfacial model for 3D short-range wetting at planar and nonplanar walls. The model is characterized by a binding-potential functional depending only on the bulk Ornstein-Zernike correlation function, which arises from different classes of tubelike fluctuations that connect the interface and the substrate. The theory provides a physical explanation for the origin of the effective position-dependent stiffness and binding potential in approximate local theories and also obeys the necessary classical wedge covariance relationship between wetting and wedge filling. Renormalization group and computer simulation studies reveal the strong nonperturbative influence of nonlocality at critical wetting, throwing light on long-standing theoretical problems regarding the order of the phase transition.

Derivation of a non-local interfacial Hamiltonian for short-ranged wetting: II. General diagrammatic structure

In our first paper, we showed how a non-local effective Hamiltonian for short-ranged wetting may be derived from an underlying Landau-Ginzburg-Wilson model. Here, we combine the Greens function method with standard perturbation theory to determine the general diagrammatic form of the binding potential functional beyond the double-parabola approximation for the Landau-Ginzburg-Wilson bulk potential. The main influence of cubic and quartic interactions is simply to alter the coefficients of the double parabola-like zigzag diagrams and also to introduce curvature and tube-interaction corrections (also represented diagrammatically), which are of minor importance. Non-locality generates effective long-ranged many-body interfacial interactions due to the reflection of tube-like fluctuations from the wall. Alternative wall boundary conditions (with a surface field and enhancement) and the diagrammatic description of tricritical wetting are also discussed.