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lammps/examples/USER/atc/thermal/in.no_atoms
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in.no_atoms
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# needs description
#AtC thermal Coupling
#
echo both
units real
atom_style atomic
lattice fcc 5.405 origin 0.25 0.25 0.25
region feRegion block -10 10 -1 1 -1 1
boundary f p p
create_box 1 feRegion
mass 1 39.95 # need to keep this
atom_modify sort 0 1
region dummyRegion block -100 -99 -1 1 -1 1
group dummy region dummyRegion
# ID group atc PhysicsType ParameterFile
fix AtC dummy atc thermal Ar_thermal.mat
timestep 5.0
# ID part keywords nx ny nz region
fix_modify AtC mesh create 10 1 1 feRegion f p p
# fix end temperatures and an internal source
fix_modify AtC initial temperature all 20.0
fix_modify AtC source temperature all 0.0000000000632
fix_modify AtC mesh create_nodeset lbc -10.1 -9.9 -INF INF -INF INF
fix_modify AtC mesh create_nodeset rbc 9.9 10.1 -INF INF -INF INF
fix_modify AtC fix temperature lbc 20.
fix_modify AtC fix temperature rbc 20.
fix_modify AtC mesh create_elementset middle -4.1 4.1 -INF INF -INF INF
fix_modify AtC material middle Ar2
thermo_style custom step cpu f_AtC[1] f_AtC[2]
fix_modify AtC output no_atomsFE 1000 text binary
thermo 100
run 10000
fix_modify AtC remove_source temperature all
fix_modify AtC unfix temperature rbc
fix_modify AtC fix temperature all 20.
run 1
fix_modify AtC unfix temperature all
reset_timestep 0
# fix one end temperature and the a source at the other
fix_modify AtC fix temperature lbc 20.
fix_modify AtC mesh create_faceset rbcFace plane x 10.0
fix_modify AtC fix_flux temperature rbcFace 0.000000001
fix_modify AtC output no_atoms_flux_FE 1000 text binary # NOTE not used
thermo 100
run 10000
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