This readme file was generated on 2024-11-15 by Yi Hu ------------------- GENERAL INFORMATION ------------------- Title of Dataset: Data from: Simple fluctuations in simple glass formers Author Contact Information (Name, Institution, Email, ORCID) Principal Investigator: Patrick Charbonneau Institution: Duke University Email: patrick.charbonneau@duke.edu ORCID: https://orcid.org/0000-0001-7174-0821 Associate or Co-investigator: Liesbeth Janssen Institution: TU Eindhoven Email: l.m.c.janssen@tue.nl ORCID: https://orcid.org/0000-0001-5283-1330 Alternate contact: Yi Hu Institution: Duke University Email: yi.hu@duke.edu ORCID: https://orcid.org/0000-0002-0318-9561 Funding and grant numbers:  Simons Foundation (Grant No. 454937); NSF Grant No. CHE 2154241; Dutch Research Council (NWO) Vidi grant -------------------- DATA & FILE OVERVIEW -------------------- File list: ├── D_coef_NGP_tau_scaling_plot.jl : Fig. 3 script ├── HS_MK_critical_exponents_plot.jl : Fig. 4 & Fig. S2 script ├── MCT_DMFT_comparison_plot.jl : Fig. 2 script ├── Manifest.toml : julia project file ├── NGP_peak_scaling_plot.jl : Fig. 5 & 7 script ├── NGP_sat_plot.jl : Fig. 6 script ├── Project.toml : julia project file ├── README.txt : Readme file ├── critical_points_plot.jl : Figure 1 script ├── misc.jl : Julia utility ├── PLOTS │   ├── HS_NGP_scaling.pdf : Fig 5 │   ├── HS_NGP_scaling_sat.pdf : Fig 6 │   ├── MK_NGP_scaling.pdf : Fig 7 │   ├── comparison_MCT_DMFT_HS_sc.pdf : Fig 2 │   ├── critical_exponent_HS_MK.png : Fig 4 │   ├── critical_exponent_a_b_HS_MK.png : Fig S2 │   ├── phic_dim_scaling_MCT_HS.pdf : Fig 1 │   └── vanishing_D_growing_t_peak_HS_sim_MCT.pdf : Fig 3 └── PROCESSED_DATA ├── MCT_sol_MK : time-dependent result for MCT equations for MK model ├── MCT_sol_PY_fixed_eps : time-dependent result for MCT equations for hard spheres model ├── critical_points : data for critical points ├── data_HS : simulation data for hard spheres model │   └── ///msd.dat ├── dimscaled_ngp_peak_scaling_data : data for dimensional scaled non-gaussian parameter peak scaling    │   └── __dimscaled_NGP_d_.dat ├── dynamical_exponents_data : data for dynamical exponents    │   └── __exponents_γ_a_b.dat ├── ngp_peak_scaling_data : data for non-gaussian parameter peak scaling    │   └── __NGP_peak_scaling_d_.dat ├── ngp_peak_time_diff_const_scaling_data : data for non-gaussian peak constant time difference scaling    │   └── __D_τNGP_scaling_d_.dat └── ngp_sat_scaling_data : data for saturated non-gaussian paramter   └── _SIM_dimscaled_NGP_sat_scaling_data.dat -------------------------- METHODOLOGICAL INFORMATION -------------------------- # Data and Plot Scripts of "Simple fluctuations in simple glass formers" * The folder "PROCESSED_DATA" contains processed data which is plotted using the scripts below. - Files "data_HS" and "data_MK" contain molecular dynamics simulation for HS and MK models. - Files "MCT_sol_PY_fixed_eps" and "MCT_sol_MK" each contain time-dependent MSD and non-gaussian parameters from solving the time-dependent MCT equations. - In general, please refer to the plotting scripts (*.jl, see below) for the usage of these data. * The PLOTS folder contains rendered plots in PDF and PNG format. MCT results are obtained using code openly available from the Julia package repository at https://juliapackages.com/p/modecouplingtheory . Simulation results are obtained using code openly available from https://github.com/Abacn/AntLabyrinth . In order to reproduce the plots shown in the paper, run each script via `julia ....jl`. Note that "misc.jl" contains useful functions that are used to read various files, not meant to be run independently. Environmental/experimental conditions: Julia 1.11.1 was used to generate these plots. -------------------------- DATA-SPECIFIC INFORMATION -------------------------- Variable/field list: Define each including spelling out abbreviations - MCT_sol_MK and MCT_sol_PY_fixed_eps - Column 1: scaled time (tD) - Column 2: mean-squared displacement (~△_2) - Column 3: non-Gaussian variable (~alpha_2) - data_HS and data_MK - Column 1: time, not scaled - Column 2: mean-squared displacement, not scaled - Column 3: mean-quartic displacement, not scaled - Other columns are not used in this study - critical_points / dimscaled_ngp_peak_scaling_data / dynamical_exponents_data / ngp_peak_scaling_data / ngp_peak_time_diff_const_scaling_data / ngp_sat_scaling_data Each folder contains data used to plot each figure. Each file has two columns, corresponds to x and y axis values for each plot. Refer to plot scripts and Figures for more information. ------------------------- USE and ACCESS INFORMATION -------------------------- Data License: CC0 Other Rights Information: To cite the data: Laudicina, C. C., Charbonneau, P., Hu, Y., Janssen, L., Morse, P. K., Pihlajamaa, I., & Szamel, G. (2024). Data from: Simple fluctuations in simple glass formers. Duke Research Data Repository.