Computationally Efficient Field-Theoretic Simulations for Block Copolymer Melts
نویسندگان
چکیده
منابع مشابه
Universality of block copolymer melts.
Simulations of five different coarse-grained models of symmetric diblock copolymers are compared to demonstrate a universal (i.e., model-independent) dependence of the free energy and order-disorder transition (ODT) on the invariant degree of polymerization N̄. The actual values of χN at the ODT approach predictions of the Fredrickson-Helfand (FH) theory for N̄ ≳ 10(4) but significantly exceed FH...
متن کاملDensity Functional Theory for Block Copolymer Melts and Blends
We derive an expression for the free energy of the blends of block copolymers expressed as a functional of the density distribution of the monomer of each block. The expression is a generalization of the Flory-Huggins-de Gennes theory for homo polymer blends, and also a generalization of the Ohta-Kawasaki theory for the melts of diblock copolymers. The expression can be used for any blends of h...
متن کاملMulticritical Phenomena and Microphase Ordering in Random Block Copolymer Melts
A mean-field analysis of microphase separation and phase behavior is described for melts of linear A-B multiblock copolymers, each chain consisting of a stochastic sequence of flexible segments (each with M monomers), AM and BM, for a total of Q >> 1 segments per chain. We find a phase diagram similar to that for statistical A-B copolymers (M = 1) but with an isotropic Lifshitz point that shoul...
متن کاملTransitions to periodic structures in block copolymer melts.
\Vc analyzc ncarly continuous transitions to pcriodic structures expanding the dcnsity of thc periodic strllcture in multiple harmonics. A thrce dimensional hexagonal structure identified as a "Lamellar-Catenoid" is the equilillrium structurc near thc transition. It consists of alternating lamellar domains connectcd by an orthogonal array of hexagonally packed cylinders. \Ve obtain the periodic...
متن کاملPhase behaviour of block copolymer melts with arbitrary architecture
The Leibler theory [L. Leibler, Macromolecules 13 1602 (1980)] for mi-crophase separation in AB block copolymer melts is generalized for systems with arbitrary topology of molecules. A diagrammatic technique for calculation of the monomeric correlation functions is developed. The free energies of various mesophases are calculated within the second-harmonic approximation. Model highly-branched t...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Macromolecules
سال: 2019
ISSN: 0024-9297,1520-5835
DOI: 10.1021/acs.macromol.9b01904