Dear All,
I am trying to calculate the viscosity of one fluid with the fix_deform, particularly I want to observe a linear relationship between the applied shear rate and the shear stress. I am performing the simulations for specific density and temperature where i know from the literature the expected slope between shear stress and shear rate. I have performed several simulations with not any successful results.
I would really appreciate your advice.
Nick
My input file is the following (I am using the last update of lammps 1Nov)
2d NEMD simulation
units lj
atom_style atomic
dimension 2d
lattice sq 0.81
region box prism 0 100 0 20 -0.5 0.5 0 0 0
create_box 2 box
create_atoms 1 box
mass * 1.0
velocity all create 1.4 87287 loop geom
pair_style lj/cut 2.2
pair_coeff * * 1.0 1.0 1.0
neighbor 0.3 bin
neigh_modify delay 0 every 1
fix 1 all nvt/sllod 1.4 1.4 1
fix 2 all deform 1 xy erate 5e-3 remap v
timestep 0.001
compute 1 all stress/atom
compute 2 all sum 1
dump 1 all custom 500 dump.lammpstrj tag type x y z c_1[4]
#dump 2 all custom 500 x c_2[2]
thermo_style custom step atoms temp press pxy
#thermo_style custom step atoms temp press c_2[1] pxy c_2[4]
thermo 1000
run 30000