2006-09-28 03:50:55 +08:00
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# 2-d LJ flow simulation
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dimension 2
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boundary p s p
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2007-02-13 01:24:44 +08:00
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atom_style atomic
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2006-09-28 03:50:55 +08:00
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neighbor 0.3 bin
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neigh_modify delay 5
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# create geometry
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lattice hex 0.7
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region box block 0 20 0 10 -0.25 0.25
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create_box 3 box
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2007-06-23 07:41:35 +08:00
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create_atoms 1 box
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2006-09-28 03:50:55 +08:00
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mass 1 1.0
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mass 2 1.0
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mass 3 1.0
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# LJ potentials
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pair_style lj/cut 1.12246
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pair_coeff * * 1.0 1.0 1.12246
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# define groups
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region 1 block INF INF INF 1.25 INF INF
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group lower region 1
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region 2 block INF INF 8.75 INF INF INF
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group upper region 2
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group boundary union lower upper
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group flow subtract all boundary
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2007-06-20 21:41:06 +08:00
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set group lower type 2
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set group upper type 3
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2006-09-28 03:50:55 +08:00
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# initial velocities
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2007-02-10 05:47:55 +08:00
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compute mobile flow temp
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2006-09-28 03:50:55 +08:00
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velocity flow create 1.0 482748 temp mobile
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fix 1 all nve
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fix 2 flow temp/rescale 200 1.0 1.0 0.02 1.0
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fix_modify 2 temp mobile
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# Couette flow
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velocity lower set 0.0 0.0 0.0
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velocity upper set 3.0 0.0 0.0
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fix 3 boundary setforce 0.0 0.0 0.0
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fix 4 all enforce2d
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2010-10-01 01:16:12 +08:00
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# Poiseuille flow
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2006-09-28 03:50:55 +08:00
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#velocity boundary set 0.0 0.0 0.0
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#fix 3 lower setforce 0.0 0.0 0.0
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#fix 4 upper setforce 0.0 NULL 0.0
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#fix 5 upper aveforce 0.0 -1.0 0.0
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#fix 6 flow addforce 0.5 0.0 0.0
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#fix 7 all enforce2d
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# Run
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timestep 0.003
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thermo 500
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thermo_modify temp mobile
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dump 1 all atom 50 dump.flow
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run 10000
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