data for manuscript: Mechanisms of alignment of lamellar-forming block copolymer under shear flow

# Data to reproduce paper _Mechanisms of alignment of lamellar-forming block copolymer under shear flow_These folders contain the necessary data to reproduce the paper entitled _Mechanisms of alignment of lamellar-forming block copolymer under shear flow_ with authors M. Pinna, J. Diaz, C. Denison, A. Zvelindovsky and I. Pagonabarraga.## General descriptionThis repository contains one folder for each figure in the manuscript, excluding those that do not have associated data (*e.g.* schemes) .Each folder is named after the figure they are associated to and they contain additional **README** files that contain specific descriptions.There are two types of files in this repository (see next section for expanded description)- **field files** [pol_*_.txt] single-column float plain txt files with one value of the psi(Nx,Ny,Nz) order parameter per row. The length of the file is Nx x Ny x Nz- **input files** [parameters_*_.in] contains the input parameteres## File typesAdditional detail on each file type### Field files: ``pol_*_.txt ``Explain the i,j,k ordering### Input files: ``parameters_*_.in````parameters.in`` are input files for the simulation. Some of the input parameters are irrelevant to these simulations as the code is able to simulate more complex systems.All parameters are provided in simulation units.Let's provide an example commented input file```'Size of the System: Lx,Ly'512,512,8 # system size across the x, y and z direction'Time differential: DT'0.1 # time discretisation'Spacial DIff: dx'1.0 # space discretisation'Number of Steps'10020000 # number of steps'f'0.5 # f=N_A/(N_A+N_B) is the fraction of A monomers in the BCP chain.'D'0.5 # "D" coefficient in free energy of BCP'B'0.02 # coefficient in free energy of BCP'tau0'0.25 # coefficient in free energy of BCP'u'0.5 # coefficient in free energy of BCP'v'1.5# coefficient in free energy of BCP (this is irrelevant for symmetric BCP)'A'1.5 # coefficient in free energy of BCP (this is irrelevant for symmetric BCP)'M'1.0 # mobility in Cahn-Hilliard equation'psi at bottom'-0.0 # boundary condition at the bottom'psi at top'-0.0# boundary condition at the top'shear'0.001 # strength of the shear```Some lines have been eliminated as they are irrelevant for these simulations.## Folders overview- **Fig. 1**: this is a sketch- **Fig. 2**: this is a sketck- **Fig. 3**: this is a sketck- **Fig. 4**: This is a curve. Each data point is the average over several independent runs data can be found in - ``./Fig4_Sy-dgamma_curve``- **Fig. 5**: This is a phase diagram. Each data point is a phase and corresponds to a time evolution for each paramater.- Fig. 5(a) $L_z/H_0=0.5$- **data set 1**: ``./Fig5_tau-dgamma_phasediagram/Fig5a/dataset1``- **data set 2**: ``./Fig5_tau-dgamma_phasediagram/Fig5a/dataset2`` -Fig. 5 (b) $L_z/H_0=1.0$ -dataset1: ``./Fig5_tau-dgamma_phasediagram/Fig5b/dataset1`` - dataset2: ``./Fig5_tau-dgamma_phasediagram/Fig5b/dataset2`` - Fig. 5 (c) $L_z/H_0=2.0$ - dataset1: ``./Fig5_tau-dgamma_phasediagram/Fig5c/dataset1`` - **dataset2**: ``./Fig5_tau-dgamma_phasediagram/Fig5c/dataset2`` - **Fig. 6**: this is a curve representing the time evolution of an order parameter for four different regimes. The data for this can be found at: - Partial melting: ``./Fig5_tau-dgamma_phasediagram/Fig5b/dataset1/SIM_0_4`` - Nucleation and Growth``./Fig5_tau-dgamma_phasediagram/Fig5b/dataset1/SIM_4_4`` - Rotation 2D ``./Fig5_tau-dgamma_phasediagram/Fig5b/dataset2/SIM_0_0`` - Rotation 3D``./Fig5_tau-dgamma_phasediagram/Fig5b/dataset2/SIM_4_0`` - **Fig. 7** is a sketch - **Fig. 8** is a 2D time evolution of a scattering function. The data is in ``./Fig5_tau-dgamma_phasediagram/Fig5b/dataset1/SIM_1_6`` - **Fig. 9** are snapshots. The data is in ``./Fig5_tau-dgamma_phasediagram/Fig5b/dataset1/SIM_1_6`` - **Fig. 10** is a 2D time evolution of a scattering function. The data is in ``./Fig5_tau-dgamma_phasediagram/Fig5b/dataset1/SIM_2_3`` - **Fig. 11** is a 2D time evolution of a scattering function. The data is in ``./Fig5_tau-dgamma_phasediagram/Fig5b/dataset1/SIM_1_1`` - **Fig. 12** is a 2D time evolution of a scattering function. The data is in ``./Fig5_tau-dgamma_phasediagram/Fig5c/dataset1/SIM_3_1`` - **Fig. 13** is a time curve of the nematic order parameter Sz for two cases - $\tau=0.25$ ``./Fig13_Sz-rotation_2D_vs_3D/2D`` - $\tau=0.40$ ``./Fig13_Sz-rotation_2D_vs_3D/3D``