script_LAMMPS_AM.inp

### command to run recurssively for AM simulation
### Delete previous fix, region, group etc. before redefining

### delete the bottom atom righ at the begining and reassign before the next run for T-control
delete_atoms region BlockDeleteAtomsBottom_01

unfix 1
unfix fPushParticles
unfix fLangevin
region BlockInside delete
group GroupInside delete
region BlockDeleteAtomsBottom_01 delete
group GroupDeleteAtomsBottom_01 delete
region BlockCreateAtomsTop_01 delete
group GroupCreateAtomsTop_01 delete

variable delta_y equal (step/${nrun})*${Height}
if "${nAtomsAll} > ${nAtomsInitial}" then &
"variable y1 equal ${y1}+${Height}" # This will make sure that total number of atom is close to initial atoms
variable y2 equal ${y2}+${Height}
variable y3 equal ${y3}+${Height}
variable y_Inside equal ${y1}+2

### update other regions
region		BlockDeleteAtomsBottom_01 block INF INF INF ${y1} INF INF # delete all atom down the interface
region		BlockCreateAtomsTop_01 block INF INF ${y2} ${y3} INF INF
region		BlockInside block INF INF ${y_Inside} INF INF INF

###----create atoms i.e, spherical powder particles in a loop-----
print "*** Powder particle creation begins***"
variable nParticles equal floor(${lx}/(${Height})) # square box shaped
variable radiusIdeal equal ${Height}/2 
variable vloopParticle loop ${nParticles}
label labelParticleCreation
print "Grain creation loop: ${vloopParticle}"
variable perturb01 equal v_random01
if "(${vloopParticle} == 0) || (${vloopParticle} == ${nParticles})" then "variable perturb01 equal 0.00"

variable radius equal (0.75+0.25*${perturb01})*${radiusIdeal}
variable temp01 equal ${perturb01}*${radiusIdeal}  #((step/${nrun})%2)*${radius}
variable temp02 equal 2*${radiusIdeal}*(${vloopParticle}-1)+${radiusIdeal}
variable cx equal ${temp01}+${temp02} #((step/${nrun})%2)*10 + 100*${vloopParticle} - 50
variable cy equal (${y2}+${y3})/2
variable cz equal (${z2}+${z3})/2
print "Grain parameters cx: ${cx} cy: ${cy} cz: ${cz} radius: ${radius}"
region Particle sphere ${cx} ${cy} ${cz} ${radius}

create_atoms 1 region Particle
group Particle region Particle

variable theta_z equal ${random01}*90  # angle to rotate the grain
displace_atoms Particle rotate ${cx} ${cy} ${cz} 0 0 1 ${theta_z} # rotate wrt z-axis

group GroupCreateAtomsTop_01 union GroupCreateAtomsTop_01 Particle
region Particle delete
group Particle delete

next vloopParticle
jump SELF labelParticleCreation

### Assign velocity/Temperature to the newly created atoms
#group GroupCreateAtomsTop_01 region BlockCreateAtomsTop_01
delete_atoms overlap 2.25 GroupCreateAtomsTop_01 all  # atoms from the first group will be deleted
velocity	GroupCreateAtomsTop_01 create ${T2} 187723 #temp Temperature # assign velocity of the newly created atoms

### Redefine the group, fix etc.
group GroupDeleteAtomsBottom_01 region BlockDeleteAtomsBottom_01
group GroupInside region BlockInside
#fix 1 GroupInside nve
fix  1 GroupInside npt temp $T $T 0.2 drag 0.5 x 0.0 0.0 5 z 0.0 0.0 5 couple none
fix fPushParticles GroupCreateAtomsTop_01 addforce 0.0 -0.2 0.0 every 1
fix fLangevin GroupDeleteAtomsBottom_01 langevin ${T} ${T} 0.5 123456

print "nAtomsAll: ${nAtomsAll}; nAtomsInitial: ${nAtomsInitial}; nAtomsNew: ${nAtomsNew}"

balance 1.1 rcb  # load balancing

run ${nrun}

###----mimic the short pulse of laser to a localized region----
print "*** Laser pulse begins***"
## Create ellipsoidal region of atoms
variable ellipse_a equal ${Height}/2 # spread of laser shot
variable ellipse_b equal 2*${Height} # depth of laser shot, melt-pool depth for SLM
variable ellipse_c equal ${ellipse_a}

variable DistanceLaserShot equal 1.0*${Height}  # center to center distance between laser shots
variable nLaserShot equal floor(${lx}/${DistanceLaserShot})
variable vloopLaser loop ${nLaserShot}
label labelLaserPulse
print "Laser loop: ${vloopLaser}"

variable temp01 equal 0.00 #((step/${nrun})%2)*${Height}
variable temp02 equal ${DistanceLaserShot}*(${vloopLaser}-1)+${Height}/2
variable cx equal ${temp01}+${temp02} #((step/${nrun})%2)*10 + 100*${vloopLaser} - 50
variable cy equal ${y3}
variable cz equal (${z2}+${z3})/2
region AreaLaser01 ellipsoid ${cx} ${cy} ${cz} ${ellipse_a} ${ellipse_b} ${ellipse_c}
group AreaLaser01 region AreaLaser01
#delete_atoms group AreaLaser01
displace_atoms AreaLaser01 random 0.05 0.1 0.05 123456
run ${nrun}

region AreaLaser01 delete
group AreaLaser01 delete

next vloopLaser
jump SELF labelLaserPulse

print "*** Idle run begins***"
run ${nrunIdle}

print "******LAMMPS loop finished******"


jump script_LAMMPS_Basic.inp labelAMLoop