More Like this

1. Phase-field model for a weakly compressible soft layered material: morphological transitions on smectic–isotropic interfaces

   https://doi.org/10.1039/D1SM00488C  

   Vitral, Eduardo ; Leo, Perry H. ; Viñals, Jorge ( June 2021 , Soft Matter)

   null (Ed.)

   A coupled phase-field and hydrodynamic model is introduced to describe a two-phase, weakly compressible smectic (layered phase) in contact with an isotropic fluid of different density. A non-conserved smectic order parameter is coupled to a conserved mass density in order to accommodate non-solenoidal flows near the smectic–isotropic boundary arising from density contrast between the two phases. The model aims to describe morphological transitions in smectic thin films under heat treatment, in which arrays of focal conic defects evolve into conical pyramids and concentric rings through curvature dependent evaporation of smectic layers. The model leads to an extended thermodynamic relation at a curved surface that includes its Gaussian curvature, non-classical stresses at the boundary and flows arising from density gradients. The temporal evolution given by the model conserves the overall mass of the liquid crystal while still allowing for the modulated smectic structure to grow or shrink. A numerical solution of the governing equations reveals that pyramidal domains are sculpted at the center of focal conics upon a temperature increase, which display tangential flows at their surface. Other cases investigated include the possible coalescence of two cylindrical stacks of smectic layers, formation of droplets, and the interactions between focal conic domains through flow. 

   more » « less
2. Flow around topological defects in active nematic films

   https://doi.org/10.1098/rspa.2021.0879  

   Rønning, Jonas ; Marchetti, Cristina M. ; Bowick, Mark J. ; Angheluta, Luiza ( January 2022 , Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences)

   We study the active flow around isolated defects and the self-propulsion velocity of + 1 / 2 defects in an active nematic film with both viscous dissipation (with viscosity η ) and frictional damping Γ with a substrate. The interplay between these two dissipation mechanisms is controlled by the hydrodynamic dissipation length ℓ d = η / Γ that screens the flows. For an isolated defect, in the absence of screening from other defects, the size of the shear vorticity around the defect is controlled by the system size R . In the presence of friction that leads to a finite value of ℓ d , the vorticity field decays to zero on the lengthscales larger than ℓ d . We show that the self-propulsion velocity of + 1 / 2 defects grows with R in small systems where R < ℓ d , while in the infinite system limit or when R ≫ ℓ d , it approaches a constant value determined by ℓ d . 

   more » « less
3. Co-revolving topological defects in a nematic liquid crystal

   Susser, Adam L. ; Kralj, Samo ; Rosenblatt, Charles ( November 2021 , Soft Matter)

   A patterned surface defect of strength m = +1 and its associated disclination lines can decompose into a pair of surface defects and disclination lines of strength m = +1/2. For a negative dielectric anisotropy liquid crystal subjected to an applied ac electric field E , these half-integer defects are observed to wobble azimuthally for E > than some threshold field and, for sufficiently large fields, to co-revolve antipodally around a central point approximately midway between the two defects. This behavior is elucidated experimentally as a function of applied field strength E and frequency ν , where the threshold field for full co-revolution scales as ν 1/2 . Concurrently, nematic electrohydrodynamic instabilities were investigated. A complete field vs. frequency “phase diagram” compellingly suggests that the induced fluctuations and eventual co-revolutions of the ordinarily static defects are coupled strongly to—and driven by—the presence of the hydrodynamic instability. The observed behaviour suggests a Lehmann-like mechanism that drives the co-revolution. 

   more » « less
4. Structures, thermodynamics and dynamics of topological defects in Gay–Berne nematic liquid crystals

   https://doi.org/10.1039/D2SM01178F  

   Huang, Yulu ; Wang, Weiqiang ; Whitmer, Jonathan K. ; Zhang, Rui ( January 2023 , Soft Matter)

   Topological defects are a ubiquitous phenomenon across different physical systems. A better understanding of defects can be helpful in elucidating the physical behaviors of many real materials systems. In nematic liquid crystals, defects exhibit unique optical signatures and can segregate impurities, showing their promise as molecular carriers and nano-reactors. Continuum theory and simulations have been successfully applied to link static and dynamical behaviors of topological defects to the material constants of the underlying nematic. However, further evidence and molecular details are still lacking. Here we perform molecular dynamics simulations of Gay–Berne particles, a model nematic, to examine the molecular structures and dynamics of +1/2 defects in a thin-film nematic. Specifically, we measure the bend-to-splay ratio K 3 / K 1 using two independent, indirect measurements, showing good agreement. Next, we study the annihilation event of a pair of ±1/2 defects, of which the trajectories are consistent with experiments and hydrodynamic simulations. We further examine the thermodynamics of defect annihilation in an NVE ensemble, leading us to correctly estimate the elastic modulus by using the energy conservation law. Finally, we explore effects of defect annihilation in regions of nonuniform temperature within these coarse-grained molecular models which cannot be analysed by existing continuum level simulations. We find that +1/2 defects tend to move toward hotter areas and their change of speed in a temperature gradient can be quantitatively understood through a term derived from the temperature dependence of the elastic modulus. As such, our work has provided molecular insights into structures and dynamics of topological defects, presented unique and accessible methods to measure elastic constants by inspecting defects, and proposed an alternative control parameter of defects using temperature gradient. 

   more » « less
5. Defect self-propulsion in active nematic films with spatially varying activity

   https://doi.org/10.1098/rsos.221229  

   Rønning, Jonas ; Marchetti, M. Cristina ; Angheluta, Luiza ( February 2023 , Royal Society Open Science)

   We study the dynamics of topological defects in active nematic films with spatially varying activity and consider two set-ups: (i) a constant activity gradient and (ii) a sharp jump in activity. A constant gradient of extensile (contractile) activity endows the comet-like +1/2 defect with a finite vorticity that drives the defect to align its nose in the direction of decreasing (increasing) gradient. A constant gradient does not, however, affect the known self-propulsion of the +1/2 defect and has no effect on the −1/2 that remains a non-motile particle. A sharp jump in activity acts like a wall that traps the defects, affecting the translational and rotational motion of both charges. The +1/2 defect slows down as it approaches the interface and the net vorticity tends to reorient the defect polarization so that it becomes perpendicular to the interface. The −1/2 defect acquires a self-propulsion towards the activity interface, while the vorticity-induced active torque tends to align the defect to a preferred orientation. This effective attraction of the negative defects to the wall is consistent with the observation of an accumulation of negative topological charge at both active/passive interfaces and physical boundaries.

    

   more » « less