2025/08/08 by Phillip Bement, Bement, Phillip, Rottler, Joerg · 1 citation
Chemical Engineering · Materials Science · Physics and Astronomy · #Block Copolymer Self-Assembly #FOS: Physical sciences #Model Reduction and Neural Networks #Rheology and Fluid Dynamics Studies #Soft Condensed Matter (cond-mat.soft)
paper · pdf · doi:10.48550/arxiv.2508.06717
openalex publication_date 2025/08/08 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Polymer dynamics is analyzed through the lens of linear dimensionality reduction methods, in particular principal (PCA) and time-lagged independent component analysis (tICA). For a polymer undergoing ideal Rouse dynamics, the slow modes identified by these transformations coincide with the conventional Rouse modes. When applied to the Fourier modes of the segment density, we show that tICA generates dynamics equivalent to dynamic self-consistent field theory (D-SCFT) with a wavevector-dependent Onsager coefficient and a free energy functional subject to the random phase approximation (RPA). We then introduce a hidden variable method and a time-local approach to include temporal memory in the tICA-generated dynamics, and generalize it to construct continuum models for the nonequilibrium case of spinodal decomposition of a symmetric diblock copolymer melt.