rheology with DPD

Dear LAMMPS users,

I know from previous threads Steve and several others have mentioned that a triclinic cell with fix deform (Lagrangian-Rhomboid scheme) is equivalent to Lee Edwards boundary condition. Is it okay to use this setup with fix nvt/sllod + DPD pair style? To me it seems like it should be fine. But I could not find any threads commenting on it so I just wanted to make sure.

Thanks,

Phillip

phillip,

Dear LAMMPS users,

I know from previous threads Steve and several others have mentioned that a triclinic cell with fix deform (Lagrangian-Rhomboid scheme) is equivalent to Lee Edwards boundary condition. Is it okay to use this setup with fix nvt/sllod + DPD pair style? To me it seems like it should be fine. But I could not find any threads commenting on it so I just wanted to make sure.

please note, that pair style DPD includes (pairwise) thermostatting and that would possibly collide with the thermostat in fix nvt/sllod. that said, it is unlikely, that you’ll get formal “approval” from the mailing list, and even if you would, it would have no value, since nobody will accept “but some guy on the lammps-users mailing list said, that it was alright to do this” as a justification if things go wrong.

as a researcher, you should know, that the right path to get confirmation is to set up (small) test systems with known results and then you should try to reproduce them. i would first do a test with lj/cut and fix nvt/sllod, then a system without fix deform using pair style dpd and after you have fond settings that reproduce reference results for reasonably similar test systems, you can try your final setup and see, if you get a reasonable behavior comparable to your previous simulations.

axel.