forked from lijiext/lammps
43 lines
1.8 KiB
Plaintext
Executable File
43 lines
1.8 KiB
Plaintext
Executable File
# needs description
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#AtC thermal Coupling
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# DESCRIPTION: no atoms, FE region with full periodic boundary conditions.
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units real
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atom_style atomic
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# create domain
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lattice fcc 5.25623 origin 0.25 0.25 0.25
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region feRegion block 0 100 0 10 0 10
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boundary f p p
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create_box 1 feRegion
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atom_modify sort 0 1
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mass 1 39.95 # need to keep this
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# ID group atc PhysicsType ParameterFile
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fix AtC all atc elastic Ar_CauchyBornLinear.mat
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# ID part keywords nx ny nz region
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fix_modify AtC mesh create 25 1 1 feRegion f p p
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# initial conditions
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fix_modify AtC initial displacement x all 0.0
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fix_modify AtC initial displacement y all 0.0
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fix_modify AtC initial displacement z all 0.0
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fix_modify AtC initial velocity x all 0.0
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fix_modify AtC initial velocity y all 0.0
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fix_modify AtC initial velocity z all 0.0
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# set node sets and bcs
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# ID mesh create_nodeset tag xmin xmax ymin ymax zmin zmax
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fix_modify AtC mesh create_nodeset lbc -1 1 -1 11 -1 11
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fix_modify AtC mesh create_nodeset rbc1 83 85 -1 11 -1 11
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fix_modify AtC mesh create_nodeset rbc2 88 89 -1 11 -1 11
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fix_modify AtC mesh create_nodeset rbc3 92 93 -1 11 -1 11
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fix_modify AtC mesh create_nodeset rbc4 95 97 -1 11 -1 11
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fix_modify AtC mesh create_nodeset rbc5 99 101 -1 11 -1 11
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fix_modify AtC fix displacement x lbc 0.0
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fix_modify AtC initial displacement x rbc1 0.00004
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fix_modify AtC initial displacement x rbc2 0.00014
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fix_modify AtC initial displacement x rbc3 0.00026
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fix_modify AtC initial displacement x rbc4 0.00036
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fix_modify AtC initial displacement x rbc5 0.0004
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thermo_style custom step cpu
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fix_modify AtC output no_atoms_cb_linearFE 500 text
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timestep 20
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thermo 100
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run 3000
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