Jose Manuel Romero-Enrique

We provide comprehensive details of how a previously overlooked entropic, or low-temperature Casimir contribution, W_{C}, to the total binding potential for three-dimensional short-ranged wetting may be determined from a microscopic Landau-Ginzburg-Wilson Hamiltonian. The entropic contribution comes from the many microscopic configurations corresponding to a given interfacial one, which arise from bulklike fluctuations about the mean-field (MF) constrained profile, and adds to the usual MF contribution W_{MF}. We determine the functional dependence of W_{C} on the interface (and wall) shape using a boundary integral method which can be cast as a diagrammatic expansion with each diagram corresponding to successively higher-order exponentially decaying contributions. The decay of W_{C} is qualitatively different for first-order and critical wetting with the change in form occurring at the MF tricritical point. Including the Casimir contribution to the binding potential preserves the global surface phase diagram but changes, radically, predictions for fluctuation effects at first-order and tricritical wetting, even when capillary-wave fluctuations are not considered.

In this paper, we report a Brownian dynamics simulation of the mobility-induced phase separation that occurs in a two-dimensional binary mixture of active soft Brownian particles, whose interactions are modeled by non-additive Weeks–Chandler–Andersen potentials inspired by Lennard-Jones potentials used for glass-forming passive mixtures. The analysis of structural properties, such as the radial distribution functions and the hexatic order parameter, shows that the high-density coexisting state in the binary case is spatially disordered, unlike the solid-like state observed for the monocomponent system. The characterization of the mean-square displacement of the active particles shows that both the low- and high-density coexisting states have diffusive behavior for long times. Therefore, the high-density coexisting states are liquid-like in the binary cases. Moreover, diffusive behavior is also observed in the high-density solid-like state for the monocomponent system, which is driven by the presence of active topological defects.

In this paper, we report a Brownian dynamics simulation of the mobility-induced phase separation which occurs in a two-dimensional binary mixture of active soft Brownian particles, whose interactions are modeled by non-additive Weeks-Chandler-Andersen potentials inspired in Lennard-Jones potentials used for glass-forming passive mixtures. The analysis of structural properties, such as the radial distribution functions and the hexatic order parameter, shows that the high-density coexisting state in the binary case is spatially disordered, unlike the solid-like state observed for the monocomponent system. Characterization of the mean-square displacement of the active particles shows that both the low- and high-density coexisting states have diffusive behavior for long times. Thus, the high-density coexisting states are liquid-like in the binary cases. Moreover, diffusive behavior is also observed in the high-density solid-like state for the monocomponent system, which is driven by the presence of active topological defects.

For a long time, the study of thermal effects at three-dimensional (3D) short-ranged wetting transitions considered only the effect of interfacial fluctuations. We show that an entropic Casimir contribution, missed in previous treatments, produces significant effects when it is included; in particular, mean-field predictions are no longer obtained when interfacial fluctuations are ignored. The Casimir term arises from the many different microscopic configurations that correspond to a given interfacial one. By employing a coarse-graining procedure, starting from a microscopic Landau–Ginzburg–Wilson (LGW) Hamiltonian, we identify the interfacial model for 3D wetting and the exact form of the Casimir term. The Casimir contribution does not alter the Nakanishi–Fisher surface phase diagram; it significantly increases the adsorption near a first-order wetting transition and completely changes the predicted critical singularities of tricritical wetting, including the nonuniversality occurring in 3D arising from interfacial fluctuations. We illustrate how the Casimir term leads to a reappraisal of the critical singularities at wetting transitions. Lastly, this paper presents novel results about curvature effects in layers of concentrical spheres and cylinders.

We performed Monte Carlo and dynamic Monte Carlo simulations to model the diffusion of monodispersed suspensions composed of impenetrable cuboidal particles, specifically hard board-like particles (HBPs), in the presence of parallel hard walls. The impact of the walls was investigated by adjusting the size of the simulation box while maintaining constant packing fractions, fixed at η = 0.150, for systems consisting of HBPs with prolate, dual-shaped, and oblate geometries. We observed that increasing the distance between the walls led to the recovery of an isotropic bulk phase, while local particle organization near the walls remained stable. Due to their shape, oblate HBPs exhibit more efficient anchoring at wall surfaces compared to prolate shapes. The formation of nematic-like particle assemblies near the walls, confirmed by theoretical calculations based on density functional theory, significantly influenced local particle dynamics. This effect was particularly pronounced to the extent that a modest portion of cuboids near the walls tended to diffuse exclusively in planes parallel to the confinement, even more efficiently than observed in the bulk regions.