Dear lammps user
Hello
I want to simulate nanoindentation on iron.
But I got stuck on obtaining P(load)-h(displacement) curve.
Here below is my scripts.
In my scripts, I just calculated potential energy and force of each direction (x, y, and z). but these values are not a indentation force
I really need your helps.
Thanks in advanced.
------------------- INITIALLIZE -------------------
units metal
dimension 3
boundary p p s
atom_style atomic
----------------- ATOM DEFINITION -----------------
lattice bcc 2.8
region sample block 0 100 0 100 0 100 units box
create_box 1 sample
create_atoms 1 region sample
mass 1 55.845
------------------- FORCE FIELD -------------------
pair_style eam/fs
pair_coeff * * Fe_mm.eam.fs Fe
neighbor 2.0 bin
neigh_modify delay 10 check yes
fix 9 all nvt temp 300.0 300.0 100.0
dump 1 all custom 1 dump.Fe id type x y z
min_style cg
minimize 1e-15 1e-15 5000 5000
run 1
undump 1
region fixed block 0 100 0 100 0 5 units box
group bottom region fixed
fix 5 bottom setforce 0.0 0.0 0.0 region fixed
------------------- Define Settings -------------------
compute csym all centro/atom bcc
compute eng all pe/atom
compute eatoms all reduce sum c_eng
thermo 0
thermo_style custom step temp pe lx ly lz press pxx pyy pzz c_eatoms
-------------------- INDENTATION ----------------------
dump 4 all custom 5 dump.indentation id type xs ys zs c_csym c_eng fx fy fz
fix 3 all indent 100.0 sphere 50.0 50.0 120.0 20.0 units box
fix_modify 3 energy yes
min_style cg
minimize 1e-15 1e-15 5000 5000
fix 3 all indent 100.0 sphere 50.0 50.0 119.9 20.0 units box
fix_modify 3 energy yes
min_style cg
minimize 1e-15 1e-15 5000 5000
fix 3 all indent 100.0 sphere 50.0 50.0 119.8 20.0 units box
fix_modify 3 energy yes
min_style cg
minimize 1e-15 1e-15 5000 5000
¡¦¡¦.(repeated same commands except for z coordination of indenter for further loading)