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Nucleation of the lamellar phase from the disordered phase of the renormalized Landau-Brazovskii model.

Michael F CarilliKris T DelaneyGlenn H Fredrickson
Published in: The Journal of chemical physics (2018)
Using the zero-temperature string method, we investigate nucleation of a stable lamellar phase from a metastable disordered phase of the renormalized Landau-Brazovskii model at parameters explicitly connected to those of an experimentally accessible diblock copolymer melt. We find anisotropic critical nuclei in qualitative agreement with previous experimental and analytic predictions; we also find good quantitative agreement with the predictions of a single-mode analysis. We conduct a thorough search for critical nuclei containing various predicted and experimentally observed defect structures. The predictions of the renormalized model are assessed by simulating the bare Landau-Brazovskii model with fluctuations. We find that the renormalized model makes reasonable predictions for several important quantities, including the order-disorder transition (ODT). However, the critical nucleus size depends sharply on proximity to the ODT, so even small errors in the ODT predicted by the renormalized model lead to large errors in the predicted critical nucleus size. We conclude that the renormalized model is a poor tool to study nucleation in the fluctuating Landau-Brazovskii model, and recommend that future studies work with the fluctuating bare model directly, using well-chosen collective variables to investigate kinetic pathways in the disorder → lamellar transition.
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