fix deform with sllod and remap V doesn't result in linear profile

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1

Dear Lammps users,

I am imposing shear strain on a 101010 LJ system with fix deform plus fix nvt/sllod @KT=1 and shear rate of 0.001 (LJ Units). As we are finally interested in non-affine displacements, I implemented remap v option. I expected that the velocity profile to be compatible with the deformation and therefore linear along Z axis (shear plane is xz plane). I also tried different things that I thought may help but they did not work; initial ramp velocity profile, different thermostats to remove the flow bias (fix temp/partial). I wonder that what is the problem with this simulation! I would be really grateful if you have any suggestion. I have attached the “in” file for your consideration (first portion there is an equilibrium simulation and then shear strain is imposed).

Best regards.

in.shearOnly (3.29 KB)

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Try shearing as slow as possible as see if you get a good profile.

Steve