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Sulin Wang

Publications and source records attributed to Sulin Wang.

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Benchmark Computation of Morphological Complexity in the Functionalized Cahn-Hilliard Gradient Flow

Reductions of the self-consistent mean field theory model of amphiphilic molecules in solvent can lead to a singular family of functionalized Cahn-Hilliard energies. We modify these energies, mollifying the singularities to stabilize the computation of the gradient flows and develop a series of benchmark problems that emulate the "morphological complexity" observed in experiments. These benchmarks investigate the delicate balance between the rate of absorption of amphiphilic material onto an interface and a least energy mechanism to disperse the arriving mass. The result is a trichotomy of responses in which two-dimensional interfaces either lengthen by a regularized motion against curvature, undergo pearling bifurcations, or split directly into networks of interfaces. We evaluate a number of schemes that use second order BDF2-type time stepping coupled with Fourier pseudo-spectral spatial discretization. The BDF2-type schemes are either based on a fully implicit time discretization with a PSD nonlinear solver, or upon IMEX, SAV, ETD approaches. All schemes use a fixed local truncation error target with adaptive time-stepping to achieve the error target. Each scheme requires proper "preconditioning" to achieve robust performance that can enhance efficiency by several orders of magnitude.

physics.comp-ph

Parameterized Density Functional Models for Block Copolymer Melts

The derivation of density functional energies from the random phase approximation of self-consistent mean field theory is generalized and applied to a binary blend of diblock copolymers and homopolymers. A nonlocal transformation is incorporated into the density functional model prior to the strong segregation extrapolation step employed by Uneyama and Doi. The transformation affords a systematic parameterization of the free energy that preserves key structural features such as scattering structure factor. A simple choice of transformation is shown to incorporate the Tuebner and Strey microemulsion structure factor and provide a reduction to the microemulsion free energy. Without adjustable parameters, the associated phase diagrams are compared to experimental and self consistent mean field based results. A gradient descent of the free energy recovers dependence of end-state morphology on initial configurations, and identifies coexisting microstructures and transitions to two-phase behavior. Small angle x-ray data is simulated and used in classification of microphase morphology.

cond-mat.soft