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Register a new userSharp-interface problem of the Ohta-Kawasaki model for symmetric diblock copolymers
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Added by
Ray Chew
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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The Ohta-Kawasaki model for diblock-copolymers is well known to the scientific community of diffuse-interface methods. To accurately capture the long-time evolution of the moving interfaces, we present a derivation of the corresponding sharp-interface limit using matched asymptotic expansions, and show that the limiting process leads to a Hele-Shaw type moving interface problem. The numerical treatment of the sharp-interface limit is more complicated due to the stiffness of the equations. To address this problem, we present a boundary integral formulation corresponding to a sharp interface limit of the Ohta-Kawasaki model. Starting with the governing equations defined on separate phase domains, we develop boundary integral equations valid for multi-connected domains in a 2D plane. For numerical simplicity we assume our problem is driven by a uniform Dirichlet condition on a circular far-field boundary. The integral formulation of the problem involves both double- and single-layer potentials due to the modified boundary condition. In particular, our formulation allows one to compute the nonlinear dynamics of a non-equilibrium system and pattern formation of an equilibrating system. Numerical tests on an evolving slightly perturbed circular interface (separating the two phases) are in excellent agreement with the linear analysis, demonstrating that the method is stable, efficient and spectrally accurate in space.
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Composition fluctuations in disordered melts of symmetric diblock copolymers are studied by Monte Carlo simulation over a range of chain lengths and interaction strengths. Results are used to test three theories: (1) the random phase approximation (RPA), (2) the Fredrickson-Helfand (FH) theory, which was designed to describe large fluctuations near an order-disorder transition (ODT), and (3) a more recent renormalized one-loop (ROL) theory, which reduces to FH theory near the ODT, but which is found to be accurate over a much wider range of parameters.
We study a graph based version of the Ohta-Kawasaki functional, which was originally introduced in a continuum setting to model pattern formation in diblock copolymer melts and has been studied extensively as a paradigmatic example of a variational model for pattern formation. Graph based problems inspired by partial differential equations (PDEs) and varational methods have been the subject of many recent papers in the mathematical literature, because of their applications in areas such as image processing and data classification. This paper extends the area of PDE inspired graph based problems to pattern forming models, while continuing in the tradition of recent papers in the field. We introduce a mass conserving Merriman-Bence-Osher (MBO) scheme for minimizing the graph Ohta-Kawasaki functional with a mass constraint. We present three main results: (1) the Lyapunov functionals associated with this MBO scheme $Gamma$-converge to the Ohta-Kawasaki functional (which includes the standard graph based MBO scheme and total variation as a special case); (2) there is a class of graphs on which the Ohta-Kawasaki MBO scheme corresponds to a standard MBO scheme on a transformed graph and for which generalized comparison principles hold; (3) this MBO scheme allows for the numerical computation of (approximate) minimizers of the graph Ohta-Kawasaki functional with a mass constraint.
A thorough backward stability analysis of Hotellings deflation, an explicit external deflation procedure through low-rank updates for computing many eigenpairs of a symmetric matrix, is presented. Computable upper bounds of the loss of the orthogonality of the computed eigenvectors and the symmetric backward error norm of the computed eigenpairs are derived. Sufficient conditions for the backward stability of the explicit external deflation procedure are revealed. Based on these theoretical results, the strategy for achieving numerical backward stability by dynamically selecting the shifts is proposed. Numerical results are presented to corroborate the theoretical analysis and to demonstrate the stability of the procedure for computing many eigenpairs of large symmetric matrices arising from applications.
We present a computer-assisted proof of heteroclinic connections in the one-dimensional Ohta-Kawasaki model of diblock copolymers. The model is a fourth-order parabolic partial differential equation subject to homogeneous Neumann boundary conditions, which contains as a special case the celebrated Cahn-Hilliard equation. While the attractor structure of the latter model is completely understood for one-dimensional domains, the diblock copolymer extension exhibits considerably richer long-term dynamical behavior, which includes a high level of multistability. In this paper, we establish the existence of certain heteroclinic connections between the homogeneous equilibrium state, which represents a perfect copolymer mixture, and all local and global energy minimizers. In this way, we show that not every solution originating near the homogeneous state will converge to the global energy minimizer, but rather is trapped by a stable state with higher energy. This phenomenon can not be observed in the one-dimensional Cahn-Hillard equation, where generic solutions are attracted by a global minimizer.
In this paper, we propose and analyze a diffuse interface model for inductionless magnetohydrodynamic fluids. The model couples a convective Cahn-Hilliard equation for the evolution of the interface, the Navier-Stokes system for fluid flow and the possion quation for electrostatics. The model is derived from Onsagers variational principle and conservation laws systematically. We perform formally matched asymptotic expansions and develop several sharp interface models in the limit when the interfacial thickness tends to zero. It is shown that the sharp interface limit of the models are the standard incompressible inductionless magnetohydrodynamic equations coupled with several different interface conditions for different choice of the mobilities. Numerical results verify the convergence of the diffuse interface model with different mobilitiess.
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