Data for "Particle-Mediated Tuning of Defect Stability in Lamellar Block Copolymer Systems"

This record contains the data and analysis notebooks behind the figures of the article "Particle-Mediated Tuning of Defect Stability in Lamellar Block Copolymer Systems" by L. Qiao, D. A. Vega and F. Schmid (preprint: arXiv:2608.30981). The article uses hybrid time-dependent Ginzburg–Landau (Ohta–Kawasaki) / Brownian-dynamics simulations to determine how a pair of colloidal particles changes the formation energy of a dislocation pair in bulk lamellar diblock copolymers. Homogeneous (A- or B-selective) and patchy (Janus) particles of different size and patch ratio are considered, and all formation and binding free energies are extrapolated to the thermodynamic limit by finite-size scaling. All files are in particle_mediated_defect_stability_data.zip, which keeps the folder layout:- figure_data/pkl: the processed data plotted in Figs. 2–6 and SI Figs. S1–S5 (Python pickle): formation and binding free energies versus particle size, finite-size sequences and fits, particle-pair separations, and mid-plane order-parameter snapshots.- figure_data/export: the same data as NumPy arrays (.npz) and CSV tables.- figure_data/BCPC_1125_dx_0.50: free energies of the undoped reference states (Fig. 2).- figure_data/fig3d, fig4b, fig5c, figS1: three-dimensional order-parameter fields and particle configurations (VTK) of the snapshots in Figs. 3–5 and SI Fig. S1.- analysis: Jupyter notebooks that redraw each figure from these data. README.md gives the mapping from figures to notebooks and files, the units and conventions, and the simulation parameters. Free energies are in reduced units; their relation to the thermal energy is derived in the article. If you use these data, please cite the article and this data set (see README.md).