DOI: 10.6084/m9.figshare.27276594
title: data for manuscript: Mechanisms of alignment of lamellar-forming block copolymer under shear flow

description: # Data to reproduce paper _Mechanisms of alignment of lamellar-forming block copolymer under shear flow_<br>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.<br>## General description<br>This repository contains one folder for each figure in the manuscript, excluding those that do not have associated data (*e.g.* schemes) .<br>Each folder is named after the figure they are associated to and they contain additional **README** files that contain specific descriptions.<br>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<br>## File typesAdditional detail on each file type### Field files: ``pol_*_.txt ``<br>Explain the i,j,k ordering<br>### Input files: ``parameters_*_.in``<br>``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.<br>All parameters are provided in simulation units.<br>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.<br><br>## Folders overview<br>- **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``<br>- **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``<br>