I am trying to reproduce the lamellar phase of diblock copolymer melt from the paper by Groot and Madden, JCP, 1998 (doi:10.1063/1.476300). I am consistently failing (i.e. I observe no phase separation at all). I believe I have run out of options to try, and thus I am asking you for help.
What I tried so far:
- In LAMMPS (see attached input file) I varied
- AB interactions,
- spring constants,
- neighbor cutoff distance,
- box sizes,
- number of steps,
- level of parallelisation.
All without success.
I ran exactly same setting in Materials Studio 8.0, and after 10000 steps I received a fairly clear lamellar phase for eAA = 25 and eAB = 40.
I also tried a simpler binary mixture in LAMMPS, which worked fine.
Can you please help? Perhaps there is some trivial error in my input file that I am overlooking and that some of you can spot quickly.
Thank you in advance for help.
diblock.in (1.17 KB)