Complete data archive for: Sequence correlations program microphase contrast in heteropolymer melts
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Complete simulation data, processed source tables, trajectories, analysis code and working material for the paper Sequence correlations program microphase contrast in heteropolymer melts, extended in this version with the follow-up program on the mixed-to-demixed transition and the composition dynamic structure factor of the correlated random copolymer melt. New in version 4.0.0 Five archives sweep_*.tar (37 GB in total, all extracting into incompatibility_sweep_campaigns/): fifteen restartable campaigns, 1,072 production runs, in which the A-B attraction eps_AB is swept at fixed eps_AA = eps_BB = 1 so that delta_eps = 1 - eps_AB is a clean incompatibility (Flory-Huggins chi) axis. Every run records the exact Fourier amplitudes rho_A(q,t), rho_B(q,t) of the A and B bead densities at all periodic-box modes with q <= 1.5/sigma (mode_amplitudes.npz), from which both the static composition spectrum and the two-time dynamic structure factor S(q,tau) = <rho(q,t0) rho*(q,t0+tau)>/N are computed. Campaigns: sweep_transition_kappa05.tar: epsab_kappa05 (148 runs) and epsab_stage2_kappa05 (400 runs; 8 seeds; 144 and 288 chains): the transition at kappa = 0.5, T* = 0.7. Crossover at eps_AB = 0.85 +/- 0.03, identical for both box sizes; RPA spinodal at 0.905 with contact factor alpha ~ 2. sweep_dsf_temperature_series.tar: dsf_T0p7, dsf_T1p0, dsf_T1p5, dsf_T2p0 (44 runs each, 2.5 million steps): the dynamic structure factor versus temperature. At T* >= 1.5 the composition correlation decays fully with a Rouse q^-4 relaxation-time regime and critical slowing down of the low-q modes toward the transition; at T* = 0.7 the melt is arrested. sweep_dsf_theory_T1p5.tar, sweep_dsf_theory_T2p0.tar: dsf_theory_T1p5, dsf_theory_T2p0 (56 runs each, 5 million steps, 8 seeds) and dsf_chi0_M288_T1p5: the mixed-side dataset for comparison with theory, with box modes every 200 steps. sweep_kappa_boundary_and_coarsening.tar: kappa0p0_T1p5 ... kappa1p0_T1p5 (44 runs each): the phase boundary versus sequence correlation at T* = 1.5. No transition for kappa <= 0.25; crossover delta_eps_c = 0.20, 0.15, 0.115 for kappa = 0.5, 0.75, 1; lamellar signature only for kappa = 1 at strong incompatibility. (same archive) coarsening_T0p7 (12 runs, 20 million steps): slow coarsening of the arrested microphase on the demixed side. Each campaign directory holds manifest.json (hashed design, pinned code commit, run list), per-run outputs with SHA-256 completion.json, and the aggregated analysis/ tables and figures. A README inside the archive documents the layout, the normalization and the headline results; the repository's analysis/*/README.md files give the full findings. Two applications of the model with asymmetric energetics (B loves B, A-B neutral) and free volume are published as companion records: sequence-programmed condensation of A/B copolymers (360 runs; condensation is programmed by sequence correlation with a boundary at kappa ~ 0.5 nearly independent of attraction strength) and epigenetic memory in a copolymer model of chromatin (160 runs; blobs are transient with a lifetime set by mark turnover, are stabilized once the reader-writer feedback gain exceeds about ten times the turnover rate, and then accrete marks to a fraction fixed by that ratio). Files carried over from earlier versions heteropolymer_microphase_data.tar (3.3 GB): full raw output of the production campaigns of the paper. Per run: meta.json, snapshots.csv, structure_factor.npz and trajectory.npz where applicable. fixed_density_campaign.tar (37 MB): the 30-run fixed-density finite-size study (M = 144/288/576 chains, kappa = 0 and 1, five seeds). Supplementary_Data_1_source_tables.zip (25 MB): per-figure source and sensitivity tables and the figure-generation scripts. complete_local_archive.tar (106 MB): the earlier single-chain study, development runs, manuscript builds and working notes. README.md: contents and reproduction instructions. Code The simulation engine (OpenMM), the mode recorder, the dynamic structure factor and RPA modules, the campaign drivers and the test suite are at github.com/okezue/ImpAgingSim.



