50 lines
1.5 KiB
Plaintext
50 lines
1.5 KiB
Plaintext
# mesoscopic heat conduction
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# heat flow from hot right region to cold left region
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# compare the temperature profile at the end opf the simulation,
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# contained in file dump.last, to analytic solution.
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#
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#
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units si
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atom_style meso
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newton on
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boundary f p p
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lattice sc 0.01
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region box block 0 100 0 10 0 10
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create_box 1 box
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create_atoms 1 box
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mass 1 1.0e-5
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region left block EDGE 49.9 EDGE EDGE EDGE EDGE
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region right block 50 EDGE EDGE EDGE EDGE EDGE
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set region left meso/e 1.0 # internal energies
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set region right meso/e 2.0
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set group all meso/rho 10.0 # mesoscopic density is also needed for this pair style
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# For correct temperature profiles, mescoscopic density and mass * number density must coincide!
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pair_style sph/heatconduction
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# i j diffusion coeff. cutoff
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pair_coeff 1 1 1.0e-4 2.0e-2
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neighbor 0.2e-2 bin
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neigh_modify every 20 delay 0 check no
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compute ie_atom all meso/e/atom
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compute ie all reduce sum c_ie_atom
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thermo_style custom step temp c_ie
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thermo_modify norm no
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fix integrate_fix all meso/stationary
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thermo 10
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timestep 0.25e-1
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dump dump_fix all custom 10 dump.heat id type x y z c_ie_atom
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dump_modify dump_fix first yes
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run 160
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undump dump_fix
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dump dump_fix all custom 10 dump.last id type x y z c_ie_atom
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dump_modify dump_fix first yes
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run 0
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