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 | |
| State | Published - Jun 28 2017 |
Bibliographical note
Publisher Copyright:© 2017 Author(s).
Fingerprint
Dive into the research topics of 'Accelerating self-consistent field theory of block polymers in a variable unit cell'. Together they form a unique fingerprint.Cite this
- APA
- Standard
- Harvard
- Vancouver
- Author
- BIBTEX
- RIS