Accelerating self-consistent field theory of block polymers in a variable unit cell

Akash Arora; David C. Morse; Frank S. Bates; Kevin D. Dorfman

doi:10.1063/1.4986643

Accelerating self-consistent field theory of block polymers in a variable unit cell

Akash Arora, David C. Morse, Frank S. Bates, Kevin D. Dorfman

Chemical Engineering and Materials Science

Research output: Contribution to journal › Article › peer-review

35 Scopus citations

Abstract

Self-consistent field theory (SCFT) is one of the most widely used tools to study the equilibrium phase behavior of block polymers. We have extended an existing version of the Anderson-mixing iteration scheme to solve the highly nonlinear SCFT equations while simultaneously optimizing the unit-cell dimensions. This improved scheme substantially increases the computational efficiency compared to existing schemes.

Original language	English (US)
Article number	244902
Journal	Journal of Chemical Physics
Volume	146
Issue number	24
DOIs	https://doi.org/10.1063/1.4986643
State	Published - Jun 28 2017

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Accelerating self-consistent field theory of block polymers in a variable unit cell

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