In this thesis, we study six Ginzburg-Landau minimization problems in the context of two-dimensional nematic liquid crystals with the intention of finding conditions for the existence of boundary vortices. The first minimization problem consists of the standard Ginzburg-Landau energy on bounded, simply connected domains Ω ⊂ R2 with boundary energy penalizing minimizers who stray from being parallel to some smooth S1-valued boundary function g of degree D ≥ 1. The second and third minimization problems consider the same Ginzburg-Landau energy but now with divergence and curl penalization in the interior and boundary function taken to be g = τ, the positively oriented unit tangent vector to the boundary. The remaining three problems involve minimizing the same energies, but now over the set for which all functions are precisely parallel to the given boundary data (up to a set for which their norms can be zero). These six problems are classified under two categories called the weak and strong orthogonal problems. In each of the six problems, we show that conditions exist for which sequences of minimizers converge to a limiting S1-valued vector field describing an equilibrium configuration for nematic material with defects. In some cases, energy estimates are obtained that show vortices belong to the boundary exclusively and the exact number of these vortices are known. A special case is also studied in the strong orthogonality setting. The analysis here suggests that geometries exist for which boundary vortices may be energetically preferable to interior vortices in the case where interior and boundary vortices have similar energy contributions. / Thesis / Doctor of Philosophy (PhD)

<p>This thesis consists of the structure-preserving numerical methods for PNP-NS equation and dynamic liquid crystal systems in Oseen-Frank energy. </p> <p>In Chapter 1, we give a brief introduction of the Poisson-Nernst-Planck-Navier-Stokes (PNP-NS) system, and the dynamical liquid system in Oseen-Frank energy in one-constant approximation case and a special non-one-constant case. Each of those systems has a special structure and properties we want to keep at the discrete level when designing numerical methods.</p> <p>In Chapter 2, we introduce a first-order numerical scheme for the PNP-NS system that is decoupled, positivity preserving, mass conserving, and unconditionally energy stable. The numerical scheme is designed in the context of Wasserstein gradient flow based on the form ∇ · (c∇ ln c). The mobility terms are treated explicitly, and the chemical potential terms are treated implicitly so that the solution of the numerical scheme is the minimizer of a convex functional, which is the key to the unique solvability and positivity preserving of the numer-<br> ical scheme. Proper boundary conditions for chemical potentials are chosen to guarantee the mass-conservation property. The convection term in Poisson-Nernst-Planck(PNP) equation part is treated explicitly with an O(∆t) term introduced so that the numerical scheme is decoupled and unconditionally energy stable. Pressure correction methods are used for the Navier-Stokes(NS) equation part. And we proved the optimal convergence rate with an irregular high-order asymptotic expansion technique.</p> <p>In Chapter 3, we propose a first-order implicit numerical method for a dynamic liquid crystal system in a one-constant-approximation case(which is also known as heat flow of harmonic maps to S2). The solution is the minimizer of a convex functional under the unit length constraint, and from this point, the weak convergence of the numerical scheme could be proved. The numerical scheme is solved in an iterative procedure. This procedure could be proved to be energy decreasing and this implies the convergence of the algorithm.</p> <p>In Chapter 4, we study the dynamic liquid crystal system in a more generalized Oseen- Frank energy compared to Chapter 3. We are assuming K2 = K3 = −K4, the domain Ω is a rectangular region in R3, and d satisfies the periodic boundary condition on ∂Ω. And we propose a class of numerical schemes for this system that preserve the unit length constraint. The convergence of the numerical scheme has been proved under necessary assumptions. And numerical experiments are presented to validate the accuracy and demonstrate the performance of the proposed numerical scheme.</p>