Hello,
When I am subjecting the simulation box to tension in x-direction, it soon starts to expand in Y and Z directions too. Is this because of a high strain rate? Also the stress in X-direction is negative from 0.05 to 0.09 strain.
My code is attached below.
The tension application code:
variable a loop 2
label loop
fix 27 all npt temp 300 300 1 iso 0 0 1 drag 1
thermo 1000
thermo_style custom step temp press ke pe etotal vol density
run 90000
unfix 27
fix 28 all nve
thermo 1000
thermo_style custom step temp press ke pe etotal vol density
run 50000
unfix 28
fix 29 all npt temp 300 300 1 y 0 0 1 z 0 0 1 drag 1
variable srate equal 1e10
variable srate1 equal “v_srate/1.0e12”
fix 30 all deform 1 x erate ${srate1} units box remap x
Output strain and stress info to file
# for units metal, pressure is in [bars] = 100 [kPa] = 1/10000 [GPa]
# p2, p3, p4 are in MPa
variable strain equal “(lx - v_L0)/v_L0”
variable strain_y equal “(ly - v_Ly0)/v_Ly0”
variable strain_z equal “(lz - v_Lz0)/v_Lz0”