Literature DB >> 28668028

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

Akash Arora1, David C Morse1, Frank S Bates1, Kevin D Dorfman1.   

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.

Entities:  

Year:  2017        PMID： 28668028     DOI： 10.1063/1.4986643

Source DB:  PubMed          Journal:  J Chem Phys        ISSN： 0021-9606            Impact factor:   3.488


  3 in total

1.  Symmetry breaking in particle-forming diblock polymer/homopolymer blends.

Authors:  Guo Kang Cheong; Frank S Bates; Kevin D Dorfman
Journal:  Proc Natl Acad Sci U S A       Date:  2020-07-07       Impact factor: 11.205

2.  Open-source code for self-consistent field theory calculations of block polymer phase behavior on graphics processing units.

Authors:  Guo Kang Cheong; Anshul Chawla; David C Morse; Kevin D Dorfman
Journal:  Eur Phys J E Soft Matter       Date:  2020-02-25       Impact factor: 1.890

3.  Stabilizing a Double Gyroid Network Phase with 2 nm Feature Size by Blending of Lamellar and Cylindrical Forming Block Oligomers.

Authors:  Zhengyuan Shen; Ke Luo; So Jung Park; Daoyuan Li; Mahesh K Mahanthappa; Frank S Bates; Kevin D Dorfman; Timothy P Lodge; J Ilja Siepmann
Journal:  JACS Au       Date:  2022-05-31
  3 in total

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