83 lines
2.8 KiB
Plaintext
83 lines
2.8 KiB
Plaintext
# ------ 2D Ice Cube Pour ------ #
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dimension 2
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units lj
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atom_style hybrid rheo/thermal bond
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boundary m m p
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comm_modify vel yes
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newton off
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special_bonds lj 0.0 1.0 1.0 coul 1.0 1.0 1.0
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region box block -25 25 0 100 -0.01 0.01 units box
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create_box 1 box bond/types 1 extra/bond/per/atom 15 extra/special/per/atom 50
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region fluid block $(xlo+1) $(xhi-1) $(ylo+1) $(ylo+30) EDGE EDGE units box
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lattice sq 1.0
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create_atoms 1 region fluid
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set group all sph/e 8.0
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# ------ Model parameters ------#
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variable cut equal 3.0
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variable n equal 1.0
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variable rho0 equal 1.0
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variable cs equal 1.0
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variable mp equal ${rho0}/${n}
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variable zeta equal 0.05
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variable kappa equal 0.01*${rho0}/${mp}
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variable dt_max equal 0.1*${cut}/${cs}/3
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variable eta equal 0.05
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variable Cv equal 1.0
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variable L equal 1.0
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variable Tf equal 1.0
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mass * ${mp}
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timestep 0.1
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pair_style hybrid/overlay rheo ${cut} artificial/visc ${zeta} rheo/solid
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pair_coeff * * rheo
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pair_coeff * * rheo/solid 1.0 1.0 1.0
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bond_style bpm/spring
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bond_coeff 1 1.0 1.0 1.0
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# ------ Pour particles ------#
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molecule my_mol "square.mol"
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# Wall region extends far enough in z to avoid contact
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region wall block EDGE EDGE EDGE EDGE -5 5 side in open 4 units box
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region drop block -16 16 70 90 EDGE EDGE side in units box
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fix 1 all rheo ${cut} quintic 0 &
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thermal &
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shift &
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surface/detection coordination 22 8
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fix 2 all rheo/viscosity * constant ${eta}
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fix 3 all rheo/pressure * linear
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fix 4 all rheo/thermal conductivity * constant ${kappa} &
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specific/heat * constant ${Cv} &
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Tfreeze * constant ${Tf} &
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latent/heat * constant ${L} &
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react 1.5 1
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fix 5 all wall/region wall harmonic 1.0 1.0 1.0
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fix 6 all gravity 5e-4 vector 0 -1 0
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fix 7 all deposit 8 0 1000 37241459 mol my_mol region drop near 2.0 vy -0.02 -0.02
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fix 8 all enforce2d
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compute rho all rheo/property/atom rho
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compute phase all rheo/property/atom phase
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compute temp all rheo/property/atom temperature
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compute eng all rheo/property/atom energy
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compute nbond all nbond/atom
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# ------ Output & Run ------ #
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thermo 200
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thermo_style custom step time ke press atoms
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#dump 1 all custom 200 atomDump id type x y vx vy fx fy c_phase c_temp c_eng c_nbond c_rho
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run 30000
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