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Alejandro D. Rey

Publications and source records attributed to Alejandro D. Rey.

27 records · Page 2Linked to original sources

Defect Textures in Polygonal Arrangements of Cylindrical Inclusions in Cholesteric Liquid Crystal Matrices

A systematic computational and scaling analysis of defect textures in polygonal arrangement of cylindrical particles embedded in a cholesteric (Ch) liquid crystal matrix is performed using the Landau de Gennes model for chiral self assembly, with strong anchoring at the particles' surface. The defect textures and LC phases observed are investigated as a function of chirality, elastic anisotropy, particle polygonal arrangement and particle size. The presence of a polygonal network made of N circular inclusions results in defect textures of a net charge of -(N-2)/2 per unit polygonal cell. As the chirality increases, the LC matrix shows the following transition sequence: weakly twisted cholesterics, 2D blue phases with non-singular/ singular defect lattices, cholesteric phases with only disclinations, and fingerprint cholesteric textures with disclinations and dislocations. For monomeric mesogens at concentrations far from the I/Ch phase transition and low chirality, for a given symmetry of the LC phase, the particle with weaker (stronger) confinement results in a phase with lower (higher) elastic energy, while at high chirality the elastic energy of a LC phase is proportional to the number of particles that form the polygonal network. Thus, hexagonal (triangular) particle arrangement results in low elastic energy at low (high) chirality. For semiflexible polymeric mesogens (high elastic anisotropy), defect textures with fewer disclinations/ dislocations arise but due to layer distortions we find a higher elastic energy than monomeric mesogens. The defects arising in the simulations and the texture rules established are in agreement with experimental observations in cellulosic liquid crystal analogues such as plant cell wall and helical biological polymeric mesophases made of DNA, PBLG and xanthan.

cond-mat.soft↗

Thermodynamics, transition dynamics, and texturing in polymer-dispersed liquid crystals with mesogens exhibiting a direct isotropic/smectic-A transition

Experimental and modeling/simulation studies of phase equilibrium and growth morphologies of novel polymer-dispersed liquid crystal (PDLC) mixtures of PS (polystyrene) and liquid crystals that exhibit a direct isotropic/smectic-A (lamellar) mesophase transition were performed for PS/10CB (decyl- cyanobiphenyl) and PS/12CB (dodecyl-cyanobiphenyl). Partial phase diagrams were determined using polarized optical microscopy (POM) and differential scanning calorimetry (DSC) for different compositions of both materials, determining both phase separation (liquid/liquid demixing) and phase ordering (isotropic/smectic-A transition) temperatures. The Flory-Huggins theory of isotropic mixing and Maier-Saupe-McMillan theory for smectic-A liquid crystalline ordering were used to computationally determine phase diagrams for both systems, showing good agreement with the experimental results. In addition to thermodynamic observations, growth morphology relations were found depending on phase transition sequence, quench rate, and material composition. Three stages of liquid crystal-rich domain growth morphology were observed: spherical macroscale domain growth ("stage I"), highly anisotropic domain growth ("stage II"), and sub-micron spheroid domain growth ("stage III"). Nano-scale structure of spheroidal and spherocylindrical morphologies were then determined via two-dimensional simulation of a high-order Landau-de Gennes model. Morphologies observed during stage II growth are typical of di- rect isotropic/smectic-A phase transitions, such as highly anisotropic "batonnets" and filaments. These morphologies, which are found to be persistent in direct isotropic/smectic-A PDLCs, could provide new functionality and applications for these functional materials.

cond-mat.soft↗

Non-isothermal model for the direct isotropic/smectic-A liquid crystalline transition

An extension to a high-order model for the direct isotropic/smectic-A liquid crystalline phase transition was derived to take into account thermal effects including anisotropic thermal diffusion and latent heat of phase-ordering. Multi-scale multi-transport simulations of the non-isothermal model were compared to isothermal simulation, showing that the presented model extension corrects the standard Landau-de Gennes prediction from constant growth to diffusion-limited growth, under shallow quench/undercooling conditions. Non-isothermal simulations, where meta-stable nematic pre-ordering precedes smectic-A growth, were also conducted and novel non-monotonic phase-transformation kinetics observed.

cond-mat.soft↗

Formation and kinetics of transient metastable states in mixtures under coupled phase ordering and chemical demixing

We present theory and simulation of simultaneous chemical demixing and phase ordering in a polymer-liquid crystal mixture in conditions where isotropic- isotropic phase separation is metastable with respect to isotropic-nematic phase transition. It is found that mesophase formation proceeds by a transient metastable phase that surround the ordered phase, and whose lifetime is a function of the ratio of diffusional to orientational mobilities. It is shown that kinetic phase ordering in polymer-mesogen mixtures is analogous to kinetic crystallization in polymer solutions.

cond-mat.mtrl-sci↗

Meta-stable nematic pre-ordering in smectic liquid crystalline phase transitions

Modeling and simulation studies using a high-order Landau-de Gennes type model for the direct isotropic/smectic-A liquid crystal transition are presented showing the existence of meta-stable nematic pre-ordering under certain conditions, in agreement with experimental observations (Tokita, M. et al. Macromolecules 2006, 39, 2021-2023)

cond-mat.soft↗

Shape-dynamic growth, structure, and elasticity of homogeneously oriented spherulites in an isotropic/smectic-A mesophase transition

A Landau-de Gennes model that integrates the nematic quadrupolar tensor order parameter and complex smectic-A order parameters is used to simulate the two-dimensional growth of an initially homogeneous smectic-A spherulite in an isotropic matrix. These simulations are performed in the shape-dynamic (nano-scale) regime of growth under two material conditions: isotropic nematic elasticity and equal splay-bend nematic elasticity. A comparison of the growth kinetics, spherulite morphology, interfacial/bulk energy landscapes between both cases is made showing that equal nematic splay-bend elasticity is required to reproduce past experimental and theoretical observations. Additionally, a previously unknown undulation instability during spherulite growth is found which, in conjunction with preferred planar anchoring and defect shedding mechanisms at micron length scales, could explain the formation mechanism of focal conic curvature defects and ultimately smectic-A "batonnet" structures observed experimentally.

cond-mat.soft↗

Modeling the isotropic/smectic-C tilted lamellar liquid crystalline transition

Extensions of a previously presented Landau-de Gennes type liquid crystalline phase transition model for the direct isotropic/smectic-A (lamellar) a phase transition to the direct isotropic/smectic-C (tilted lamellar) transition are studied. Two different proposed extensions to the model are studied both in the context of ideal ordering (point volume) and full three-dimensional uniaxial scalar/vector decomposition. Recommendations based upon the inclusion of essential physics and computational feasibility are made, distinguishing each of the two proposed extensions based upon these criteria. Additionally, it is found that the approach used for the isotropic/smectic-A model to deterministically compute phase diagram data is not possible for either of the two proposed isotropic/smectic-C models.

cond-mat.soft↗

Simulation of spherulite growth using a comprehensive approach to modeling the first-order isotropic/smectic-A mesophase transition

A comprehensive modeling and simulation study of the first-order isotropic/smectic-A transition is presented and applied to phase diagram computation and two-dimensional spherulite growth. An approach based on nonlinear optimization, that incorporates experimental data (from 12CB, dodecyl-cyanobiphenyl), is used to determine physically realistic model parameters. These parameters are then used in conjunction with an optimized phase diagram computation method. Additionally, a time-dependent formulation is presented and applied to the study of two-dimensional smectic-A spherulite growth. These results show the growth kinematics and defect dynamics of nanoscale smectic-A spherulite growth in an isotropic phase with an initially radial layer configuration.

physics.chem-ph↗

Non-Isothermal Model for Nematic Spherulite Growth

A computational study of the growth of two-dimensional nematic spherulites in an isotropic phase was performed using a Landau-de Gennes type quadrupolar ensor order parameter model for the first-order isotropic/nematic transition of 5CB (pentyl-cyanobiphenyl). An energy balance, taking anisotropy into account, was derived and incorporated into the time-dependent model. Growth laws were determined for two different spherulite morphologies of the form tn, with and without the inclusion of thermal effects. Results show that incorporation of the thermal energy balance correctly predicts the transition of the growth law exponent from the volume driven regime (n=1) to the thermally limited regime (approaching n=0.5), agreeing well with experimental observations. An interfacial nemato-dynamic model is used to gain insight into the interactions that result in the progression of different spherulite growth regimes.

physics.chem-ph↗