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Code and data for "Kinetic locking of dissipation in viscous aerosols: a frenesy reading of a reacto-diffusive transition"

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Mendeley Data2026-07-03 收录
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This dataset contains the computational code and the computed outputs needed to reproduce all figures and tables of the manuscript "Kinetic locking of dissipation in viscous aerosols: a frenesy reading of a reacto-diffusive transition" (S. Kaneko). It shares its theoretical framework with the companion paper "When can maximum entropy production select a branch? Frenesy, quasi-potentials, and closure conditions" (Zenodo: 10.5281/zenodo.20754422). The material is organised in three parts. (1) Minimal-model exact diagonalization: a one-dimensional kinetically constrained Fredrickson-Andersen configurational dynamics coupled to a gated two-channel driven reaction, treated at small system size by dense exact diagonalization. It computes the reaction entropy-production rate sigma(c) and its linearity in mobility (the gating identity sigma proportional to c), together with the activity order parameter and its activity-tilted structure theta(s) (main-text Fig. 2); the dynamic-hysteresis loop and its area versus sweep time, obtained by integrating the master equation under a mobility sweep (main-text Fig. 4); and the metastable slow mode 1/|lambda_2| and low-lying relaxation spectrum (Fig. S4). (2) DMRG of the symmetrized, epsilon-regularized model, for both the Fredrickson-Andersen and East facilitation rules. It computes the slope diagnostic m(c) = Delta_C / Delta_Sigma and its crossing of 1/2 at c* ~ 0.147 (main-text Fig. 3); and the activity jump Delta_a, the peak susceptibility chi_peak/N, and the (N, epsilon) convergence grid that establishes the first-order active-inactive coexistence (Figs. S3, S5; Tables S2-S4). (3) Kinetic locking line: the water-plasticized viscosity parameterization for alpha-pinene SOA propagated to matrix self-diffusivity by (fractional) Stokes-Einstein, and the supply-limited locking condition D_org(RH,T) = R^2/tau_react solved in the relative-humidity-temperature plane (Figs. 1, S1, S2; Table S1). The deposit includes the figure-generation scripts and the intermediate numerical outputs (JSON) from which the published figures are rendered. Per-file descriptions and exact per-figure commands are listed in README.md. No experimental data were collected: all physical inputs are independently published material parameters cited in the manuscript.

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2026-06-22
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