Fluctuation-Corrected Phase Diagrams for Diblock Copolymer Melts
M. W. Matsen, T. M. Beardsley, James D. Willis
Abstract
New developments in field-theoretic simulations (FTSs) are used to evaluate fluctuation corrections to the self-consistent field theory of diblock copolymer melts. Conventional simulations have been limited to the order-disorder transition (ODT), whereas FTSs allow us to evaluate complete phase diagrams for a series of invariant polymerization indices. The fluctuations stabilize the disordered phase, which shifts the ODT to higher segregation. Furthermore, they stabilize the network phases at the expense of the lamellar phase, which accounts for the presence of the Fddd phase in experiments. We hypothesize that this is due to an undulation entropy that favors curved interfaces.
Topics & Concepts
Phase diagramCopolymerMaterials scienceLamellar structureStatistical physicsPhase transitionThermodynamicsPhase (matter)PolymerizationChemical physicsInvariant (physics)Condensed matter physicsPhysicsPolymerQuantum mechanicsComposite materialBlock Copolymer Self-AssemblyTheoretical and Computational PhysicsMachine Learning in Materials Science