52 lines
1.6 KiB
Plaintext
52 lines
1.6 KiB
Plaintext
units lj
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dimension 3
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boundary f f f
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atom_style bpm/sphere
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special_bonds lj 0.0 1.0 1.0 coul 0.0 1.0 1.0
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newton on off
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comm_modify vel yes cutoff 2.6
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lattice fcc 1.0
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region box block -25 15 -22 22 -22 22
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create_box 1 box bond/types 2 extra/bond/per/atom 20 extra/special/per/atom 50
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region disk cylinder x 0.0 0.0 20.0 -0.5 0.5
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create_atoms 1 region disk
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group plate region disk
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region ball sphere 8.0 0.0 0.0 6.0
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create_atoms 1 region ball
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group projectile region ball
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displace_atoms all random 0.1 0.1 0.1 134598738
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neighbor 1.0 bin
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pair_style gran/hooke/history 1.0 NULL 0.5 NULL 0.1 1
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pair_coeff 1 1
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fix 1 all nve/bpm/sphere
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create_bonds many plate plate 1 0.0 1.5
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create_bonds many projectile projectile 2 0.0 1.5
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neighbor 0.3 bin
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special_bonds lj 0.0 1.0 1.0 coul 1.0 1.0 1.0
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bond_style bpm/rotational store/local brkbond 100 time id1 id2
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bond_coeff 1 1.0 0.2 0.02 0.02 0.05 0.01 0.01 0.01 0.1 0.2 0.002 0.002
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bond_coeff 2 1.0 0.2 0.02 0.02 0.20 0.04 0.04 0.04 0.1 0.2 0.002 0.002
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velocity projectile set -0.05 0.0 0.0
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compute nbond all nbond/atom
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compute tbond all reduce sum c_nbond
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timestep 0.05
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thermo_style custom step ke pe pxx pyy pzz c_tbond
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thermo 100
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thermo_modify lost ignore lost/bond ignore
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#dump 1 all custom 100 atomDump id radius x y z c_nbond
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#dump 2 all local 100 brokenDump f_brkbond[1] f_brkbond[2] f_brkbond[3]
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#dump_modify 2 header no
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run 7500
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