Department of Chemical Engineering, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada.
Department of Physics and Astronomy, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada.
Phys Rev Lett. 2023 Jun 16;130(24):248101. doi: 10.1103/PhysRevLett.130.248101.
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.
新的场论模拟(FTS)的发展被用于评估嵌段共聚物熔体自洽场理论的涨落修正。传统的模拟仅限于有序-无序转变(ODT),而 FTS 允许我们为一系列不变聚合指数评估完整的相图。涨落稳定了无序相,从而将 ODT 推向更高的分相。此外,它们以牺牲层状相为代价稳定了网络相,这解释了实验中 Fddd 相的存在。我们假设这是由于弯曲界面有利于起伏熵。