forked from lijiext/lammps
64 lines
1.0 KiB
Plaintext
64 lines
1.0 KiB
Plaintext
# 2d indenter simulation
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dimension 2
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boundary p s p
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atom_style atomic
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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 0.9
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region box block 0 20 0 10 -0.25 0.25
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create_box 2 box
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create_atoms 1 box
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mass 1 1.0
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mass 2 1.0
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# LJ potentials
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pair_style lj/cut 2.5
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pair_coeff * * 1.0 1.0 2.5
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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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group mobile subtract all lower
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set group lower type 2
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# initial velocities
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compute new mobile temp
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velocity mobile create 0.2 482748 temp new
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fix 1 all nve
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fix 2 lower setforce 0.0 0.0 0.0
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fix 3 all temp/rescale 100 0.1 0.1 0.01 1.0
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# run with indenter
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timestep 0.003
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variable k equal 1000.0/xlat
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variable y equal "13.0*ylat - step*dt*0.02*ylat"
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fix 4 all indent $k sphere 10 v_y 0 5.0
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fix 5 all enforce2d
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thermo 1000
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thermo_modify temp new
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#dump 1 all atom 250 dump.indent
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#dump 1 all image 1000 image.*.jpg type type &
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# zoom 1.6 adiam 1.5
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#dump_modify 1 pad 5
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run 30000
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# run without indenter
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unfix 4
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run 30000
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