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Data · dataset · 2026

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

Listed in Teesside University Research Data Repository

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).

Description

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).

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(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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Teesside University Research Data Repositoryoai:data.mendeley.com/hcdm97d52h.116 h agoJSON v1
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