arXiv subjects

Margarida M. Telo da Gama

Publications and source records attributed to Margarida M. Telo da Gama.

43 records · Page 3Linked to original sources

arXiv2013

Interfacial motion in flexo- and order-electric switching between nematic filled states

We consider a nematic liquid crystal, in coexistence with its isotropic phase, in contact with a substrate patterned with rectangular grooves. In such a system, the nematic phase may fill the grooves without the occurrence of complete wetting. There may exist multiple (meta)stable filled states, each characterised by the type of distortion (bend or splay) in each corner of the groove and by the shape of the nematic-isotropic interface, and additionally the plateaux that separate the grooves may be either dry or wet with a thin layer of nematic. Using numerical simulations, we analyse the dynamical response of the system to an externally- applied electric field, with the aim of identifying switching transitions between these filled states. We find that order-electric coupling between the fluid and the field provides a means of switching between states where the plateaux between grooves are dry and states where they are wet by a nematic layer, without affecting the configuration of the nematic within the groove. We find that flexoelectric coupling may change the nematic texture in the groove, provided that the flexoelectric coupling differentiates between the types of distortion at the corners of the substrate. We identify intermediate stages of the transitions, and the role played by the motion of the nematic-isotropic interface. We determine quantitatively the field magnitudes and orientations required to effect each type of transition.

cond-mat.soft↗

arXiv2013

Computing the phase diagram of binary mixtures: a patchy particle case study

We investigate the phase behaviour of 2D mixtures of bi-functional and three-functional patchy particles and 3D mixtures of bi-functional and tetra-functional patchy particles by means of Monte Carlo simulations and Wertheim theory. We start by computing the critical points of the pure systems and then we investigate how the critical parameters change upon lowering the temperature. We extend the Successive Umbrella Sampling method to mixtures to make it possible to extract information about the phase behaviour of the system at a fixed temperature for the whole range of densities and compositions of interest.

cond-mat.soft↗

arXiv2012

Properties of patchy colloidal particles close to a surface: a Monte Carlo and density functional study

We investigate the behavior of a patchy particle model close to a hard-wall via Monte Carlo simulation and density functional theory (DFT). Two DFT approaches, based on the homogeneous and inhomogeneous versions of Wertheim's first order perturbation theory for the association free energy are used. We evaluate, by simulation and theory, the equilibrium bulk phase diagram of the fluid and analyze the surface properties for two isochores, one of which is close to the liquid side of the gas-liquid coexistence curve. We find that the density profile near the wall crosses over from a typical high-temperature adsorption profile to a low-temperature desorption one, for the isochore close to coexistence. We relate this behavior to the properties of the bulk network liquid and find that the theoretical descriptions are reasonably accurate in this regime. At very low temperatures, however, an almost fully bonded network is formed, and the simulations reveal a second adsorption regime which is not captured by DFT. We trace this failure to the neglect of orientational correlations of the particles, which are found to exhibit surface induced orientational order in this regime.

cond-mat.soft↗

arXiv2011

Bicontinuous and mixed gels in binary mixtures of patchy colloidal particles

We investigate the thermodynamics and percolation regimes of model binary mixtures of patchy colloidal particles. The particles of each species have three sites of two types, one of which promotes bonding of particles of the same species while the other promotes bonding of different species. We find up to four percolated structures at low temperatures and densities: two gels where only one species percolates, a mixed gel where particles of both species percolate but neither species percolates separately, and a bicontinuous gel where particles of both species percolate separately forming two interconnected networks. The competition between the entropy and the energy of bonding drives the stability of the different percolating structures. Appropriate mixtures exhibit one or more connectivity transitions between the mixed and bicontinuous gels, as the temperature and/or the composition changes.

cond-mat.soft↗

arXiv2011

Phase diagrams of binary mixtures of patchy colloids with distinct numbers of patches: The network fluid regime

We calculate the network fluid regime and phase diagrams of binary mixtures of patchy colloids, using Wertheim's first order perturbation theory and a generalization of Flory-Stockmayer's theory of polymerization. The colloids are modelled as hard spheres with the same diameter and surface patches of the same type, $A$. The only difference between species is the number of their patches -or functionality-, $f_A^{(1)}$ and $f_A^{(2)}$ (with $f_A^{(2)}>f_A^{(1)}$). We have found that the difference in functionality is the key factor controlling the behaviour of the mixture in the network (percolated) fluid regime. In particular, when $f_A^{(2)}\ge2f_A^{(1)}$ the entropy of bonding drives the phase separation of two network fluids which is absent in other mixtures. This changes drastically the critical properties of the system and drives a change in the topology of the phase diagram (from type I to type V) when $f_A^{(1)}>2$. The difference in functionality also determines the miscibility at high (osmotic) pressures. If $f_A^{(2)}-f_A^{(1)}=1$ the mixture is completely miscible at high pressures, while closed miscibility gaps at pressures above the highest critical pressure of the pure fluids are present if $f_A^{(2)}-f_A^{(1)}>1$. We argue that this phase behaviour is driven by a competition between the entropy of mixing and the entropy of bonding, as the latter dominates in the network fluid regime.

cond-mat.soft↗

arXiv2011

Phase diagrams of binary mixtures of patchy colloids with distinct numbers and types of patches: The empty fluid regime

We investigate the effect of distinct bonding energies on the onset of criticality of low functionality fluid mixtures. We focus on mixtures of particles with two and three patches as this includes the mixture where 'empty' fluids were originally reported. In addition to the number of patches, the species differ in the type of patches or bonding sites. For simplicity, we consider that the patches on each species are identical: one species has 3 patches of type $A$ and the other 2 patches of type $B$. We have found a rich phase behaviour with closed miscibility gaps, liquid-liquid demixing and negative azeotropes. Liquid-liquid demixing was found to preempt the 'empty' fluid regime, of these mixtures, when the $AB$ bonds are weaker than the $AA$ or $BB$ bonds. By contrast, mixtures in this class exhibit 'empty' fluid behaviour when the $AB$ bonds are stronger than at least one of the other two. Mixtures with bonding energies $ε_{BB}=ε_{AB}$ and $ε_{AA}<ε_{BB}$, were found to exhibit an unusual negative azeotrope.

cond-mat.soft↗

arXiv2006

Kardar-Parisi-Zhang interfaces bounded by long-ranged potentials

We study unbinding transitions of a non-equilibrium Kardar-Parisi-Zhang (KPZ) interface in the presence of long-ranged substrates. Both attractive and repulsive substrates, as well as positive and negative Kardar-Parisi-Zhang nonlinearities, are considered, leading to four different physical situations. A detailed comparison with equilibrium wetting transitions as well as with non-equilibrium unbinding transitions in systems with short-ranged forces is presented, yielding a comprehensive picture of unbinding transitions, and of their classification into universality classes. These non-equilibrium transitions may play a crucial role in the dynamics of wetting or growth of systems with intrinsic anisotropies.

cond-mat.stat-mech↗