We gratefully acknowledge support from
the Simons Foundation and member institutions.
Full-text links:

Download:

Current browse context:

cond-mat.soft

Change to browse by:

References & Citations

Bookmark

(what is this?)
CiteULike logo BibSonomy logo Mendeley logo del.icio.us logo Digg logo Reddit logo

Condensed Matter > Soft Condensed Matter

Title: Parameterized Density Functional Models for Block Copolymer Melts

Abstract: The derivation of density functional energies from the random phase approximation of self-consistent mean field theory is generalized and applied to a binary blend of diblock copolymers and homopolymers. A nonlocal transformation is incorporated into the density functional model prior to the strong segregation extrapolation step employed by Uneyama and Doi. The transformation affords a systematic parameterization of the free energy that preserves key structural features such as scattering structure factor. A simple choice of transformation is shown to incorporate the Tuebner and Strey microemulsion structure factor and provide a reduction to the microemulsion free energy. Without adjustable parameters, the associated phase diagrams are compared to experimental and self consistent mean field based results. A gradient descent of the free energy recovers dependence of end-state morphology on initial configurations, and identifies coexisting microstructures and transitions to two-phase behavior. Small angle x-ray data is simulated and used in classification of microphase morphology.
Subjects: Soft Condensed Matter (cond-mat.soft)
Cite as: arXiv:2307.00659 [cond-mat.soft]
  (or arXiv:2307.00659v1 [cond-mat.soft] for this version)

Submission history

From: Keith Promislow [view email]
[v1] Sun, 2 Jul 2023 20:27:46 GMT (8463kb,D)

Link back to: arXiv, form interface, contact.