Hello.
I want to move a dislocation by shear stress.
I used the following command.
But it didn’t seem to work.
Dislocation in my model didn’t move at all.
Would someone tell me where the problem is?
# ---------- BOUNDARY ---------------------
variable THICKNESS equal 3.0
variable LOWER_END equal (bound(all,zmin))
variable UPPER_END equal (bound(all,zmax))
variable LBOUND equal ${LOWER_END}+${THICKNESS}
variable UBOUND equal ${UPPER_END}-${THICKNESS}
# ---------- GROPUS ---------------------
region lowerBlock block INF INF INF INF INF ${LBOUND}
region upperBlock block INF INF INF INF ${UBOUND} INF
group top region upperBlock
group bot region lowerBlock
group bounds union top bot
group body subtract all bounds
compute peatom all pe/atom
# ---------- RIGID BOUNDARY ---------------------
fix 2 top setforce 0.0 0.0 0.0
fix 3 bot setforce 0.0 0.0 0.0
# ---------- Initial_System ---------------------
reset_timestep 0
write_dump all cfg initial*.cfg mass type xs ys zs modify sort id element Al
# ---------- Apply_Shear_Strain ---------------------
variable i loop 20
label loop1
#displace_atoms top move 0.01 0.0 0.0 units box
#displace_atoms bot move -0.01 0.0 0.0 units box
fix shear1 top addforce 2e-04 0 0
fix shear2 bot addforce -2e-04 0 0
minimize 0.0 0.001 50000 50000
print "@ ${i}"
reset_timestep ${i}
write_dump all cfg shear*.cfg mass type xs ys zs modify sort id element
next i
jump shear_static.in loop1
print "All done."