Please cite the following paper if you use the data:

=>

The appropriate references to figures have also been mentioned. Please refer the
above paper for further details.

The data was generated using computational resources provided by the Minnesota
Supercomputing Institute (MSI) at the University of Minnesota and partly by
equipment supported by funding from the National Science Foundation through the
UMN MRSEC under Award Number DMR-2011401.

Corresponding author information:

	Name: David C Morse Email: morse012@umn.edu

	Name: Kevin D Dorfman Email: dorfman@umn.edu

These files contain data for molecular dynamics simulations on asymmetric
diblock polymer chains.  Each of the chains are 64 beads long. The timestep used
for the simulation is 0.005 in natural simulation units.  Each configuration is
sampled after 1000 timesteps.

---------------------------------------------------------------------------------

## Description of files and folders


In this directory:

1) There are two subfolders called "S1" and "S2" corresponding to respective
models.  These are the two different models used for our molecular dynamics
simulations.  Each of these folders contain subfolders that are discussed below.

2) The subfolder "BCC", contains the data for the simulations on the BCC phase.
This folder is further subdivided into folders named according to the convention
"NPT_X" where "X" is the value of alpha for the analyzed simulation. The data
files for the corresponding values of alpha are present within these folders.

3) The subfolder "disorder", contains the data for the simulations on the
disorder phase.  This folder is further subdivided into folders named according
to the convention "NPT_X" where "X" is the value of alpha for the analyzed
simulation. The data files for the corresponding values of alpha are present
within these folders.

4) The subfolder "vsChi", contains data for trends plotted vs Chi or vs alpha.

5) File "simul.py" within the folder "S1" and "S2", is an example file that was
used to run any simulation with all the model parameters set. This file is
compatible with Hoomd-blue version 2.9.0.

6) File "alphaChi.csv" within the folder "S1" and "S2", has the mapping from
alpha to chi.


Files:

"MSD.csv": Mean squared displacement with time. The first coloumn in the file
denotes the time in terms of the number of sampled configurations (frequency of
sampling is every 1000 timesteps).

"VanHove.csv": S(q^{*},t)/S(q^{*},0) with time. The first coloumn in the file
denotes the time in terms of the number of sampled configurations (frequency of
sampling is every 1000 timesteps). In the paper, time is normalized by
``diffusion time", \tau_{d0} which is the diffusion time for a homopolymer.
$\tau_{d0}$ is 210.695 for model S1 and 477.116 for model S2 in natural
simulation units.

"chainResidence.csv": Number of labelled chains retained, nL, with time. The
first coloumn in the file denotes the time in terms of the number of sampled
configurations (frequency of sampling is every 1000 timesteps). In the paper,
time is normalized by ``diffusion time", \tau_{d0} which is the diffusion time
for a homopolymer. $\tau_{d0}$ is 210.695 for model S1 and 477.116 for model S2
in natural simulation units.

"bcc_chainExpulsion_model.csv": Model predicted chain expulsion time to exchange
all the chains in the micell within the bcc phase vs alpha. The time $\tau_Ex$ is 
non-dimensionalized with $\tau_{d0}$ which is 210.695 for model S1 and 477.116 
for model S2 in natural simulation units.

"bcc_chainExpulsion_simulation.csv": Observed chain expulsion time to exchange 
all chains in the micelle obtaine from simulations within the bcc phase vs alpha. 
The time $\tau_Ex$ is non-dimensionalized with $\tau_{d0}$ which is 210.695 for 
model S1 and 477.116 for model S2 in natural simulation units.

"bcc_diffusivity.csv": Normalized diffusivity within the bcc phase vs alpha. The
diffusivity is normalized using the diffusivity of the homopolymer, D0.

"disorder_diffusivity.csv": Normalized diffusivity within the disorder phase vs
alpha. The diffusivity is normalized using the diffusivity of the homopolymer,
D0.

"bcc_tauD.csv": ``diffusion time", $\tau_{d}$ within the bcc phase for different
values of alpha. This is the equivalent rouse relaxation time calculated using
the diffusivity of the polymer. The time $\tau_d$ is non-dimensionalized with
$\tau_{d0}$ which is 210.695 for model S1 and 477.116 for model S2 in natural
simulation units.

"disorder_tauD.csv": ``diffusion time", $\tau_{d}$ within the disordered phase
for different values of alpha. This is the equivalent rouse relaxation time
calculated using the diffusivity of the polymer. The time $\tau_d$ is
non-dimensionalized with $\tau_{d0}$ which is 210.695 for model S1 and 477.116
for model S2 in natural simulation units.

"disorder_tauS.csv": Structural relaxation tim, $\tau_{s}$ within the disordered
phase for different values of alpha. The time $\tau_{s}$ is non-dimensionalized
with $\tau_{s0}$ which is the structural relaxation time for a homopolymer.