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.
Bibliographical noteFunding Information:
This work was supported by the National Science Foundation (Grant No. DMR-1333669). Computational resources were provided in part by the Minnesota Supercomputing Institute.
© 2017 Author(s).