Hello users,
I am finding difficulties in locating cylindrical indenter in z axis.please check my script and resolve my problem. i am writing my script below.
3d indenter simulation
------------------------ INITIALIZATION ----------------------------
units metal
dimension 3
boundary p p p
#newton on
atom_style atomic
create geometry
#copper
lattice fcc 3.6390
region copper1 block -60 60 -60 60 -20 0 units box
#copper
lattice fcc 3.6390
region copper2 block -60 60 -60 60 1 100 units box
region whole union 2 copper1 copper2
create_box 2 whole
lattice fcc 3.6390 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
create_atoms 1 region copper1
lattice fcc 3.6390 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
create_atoms 2 region copper2
-------------- FORCE FIELDS ------------------------------
pair_style eam/fs
pair_coeff * * Cu1.eam.fs.txt Cu Cu
group cu1 type 1
group cu2 type 2
compute peratom all pe/atom
change_box all x final -150 150 units box
change_box all y final -150 150 units box
change_box all z final -150 150 units box
initial velocities
velocity cu2 create 300 482748
fix 1 cu1 setforce 0.0 0.0 0.0
fix 2 cu2 nvt temp 300 300 1
run with indenter
variable k equal 10
variable z equal “98 - step*0.01”
fix 3 cu2 indent 10 cylinder z 0 v_z 40.0 units box
variable force equal " f_3[2]*1.602889105"
thermo_style custom step time temp v_force dt
thermo 10
timestep 0.01
dump 1 all atom 10 dump_copper1.copper
run 2000
run without indenter
unfix 4
run 2000