Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 146, Issue 24, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4986643
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Funding
- National Science Foundation [DMR-1333669]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1333669] Funding Source: National Science Foundation
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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. Published by AIP Publishing.
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