Functional level-set derivative for a polymer self consistent field theory Hamiltonian
| Autor: | Glenn H. Fredrickson, Gaddiel Ouaknin, Daniil Bochkov, Frederic Gibou, Kris T. Delaney, Nabil Laachi |
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| Rok vydání: | 2017 |
| Předmět: |
Physics and Astronomy (miscellaneous)
010103 numerical & computational mathematics 02 engineering and technology 01 natural sciences Dirichlet distribution symbols.namesake Metastability Copolymer Shape optimization 0101 mathematics Mathematics chemistry.chemical_classification Numerical Analysis Applied Mathematics Mathematical analysis Polymer 021001 nanoscience & nanotechnology Robin boundary condition Computer Science Applications Condensed Matter::Soft Condensed Matter Computational Mathematics chemistry Modeling and Simulation Free surface symbols 0210 nano-technology Hamiltonian (quantum mechanics) |
| Zdroj: | Journal of Computational Physics. 345:207-223 |
| ISSN: | 0021-9991 |
| Popis: | We derive functional level-set derivatives for the Hamiltonian arising in self-consistent field theory, which are required to solve free boundary problems in the self-assembly of polymeric systems such as block copolymer melts. In particular, we consider Dirichlet, Neumann and Robin boundary conditions. We provide numerical examples that illustrate how these shape derivatives can be used to find equilibrium and metastable structures of block copolymer melts with a free surface in both two and three spatial dimensions. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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