I want to do laser ablation/spallation of copper using the ATC package
I read about the fix atc command in lammps manual but I don’t understand about fix atc mesh creation, faceset etc.
here is my code and questions
units metal
variable inf equal 1000
atom_style atomic
lattice fcc 3.62 origin 0.25 0.25 0.25
boundary p p s
region mdRegion block 0 5 0 5 5 80
region feRegion block 0 5 0 5 0 100
Q1. Is the size of the block region correct? When I change 100 to any number, no mesh creation occurs. How are they related to each other?
create_box 1 mdRegion
create_atoms 1 region mdRegion
pair_style eam/alloy
pair_coeff * * Cu.eam.alloy Cu
neighbor 0.3 bin
neigh_modify every 10 delay 0 check yes
mass 1 63.546
group internal region mdRegion
dump 1 all atom 10 manash.dump
timestep 0.001
thermo 100
velocity internal create 300 1234156
fix 1 all nvt temp 300 300 0.01
run 10000
unfix 1
thermo 50
fix a temperature
fix AtC internal atc two_temperature Cu_ttm.mat
fix_modify AtC mesh create 1 1 20 feRegion p p f
Q2. When I change the number of elements in x from 20 to any number, no mesh creation occurs. Why?
What does mesh create exactly mean?
fix_modify AtC mesh create_faceset bndy box -inf inf -inf inf 5 80
Q3. What does mesh create_faceset bndy box mean?
fix_modify AtC control thermal flux
fix_modify AtC initial temperature all 300
fix_modify AtC initial electron_temperature all 300
heating
fix_modify AtC mesh create_nodeset bottom -INF INF -INF INF 0 0
fix_modify AtC fix temperature bottom 300
fix_modify AtC fix_flux electron_temperature bndy **
run 4000
Q4. from the ttm md model equation the laser source term S(z,t) (W/cm3) is calculated using fluence of the laser,
pulse duration and optical penetration depth .My question is in the input file where I add laser energy term if I calculate
laser source term (S(z,t)) ?
relaxation
fix_modify AtC unfix_flux electron_temperature bndy **
run 5000