59 lines
2.4 KiB
Plaintext
59 lines
2.4 KiB
Plaintext
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### Heat conduction analog of periodic Poiseuille flow problem ###
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### using energy-conserving DPD (eDPD) simulation ###
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### ###
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### Created : Zhen Li (zhen_li@brown.edu) ###
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### Division of Applied Mathematics, Brown University. ###
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### ###
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### mDPD system setup follows Fig.12 in the publication: ###
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### Z. Li, Y.-H. Tang, H. Lei, B. Caswell and G.E. Karniadakis. ###
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### "Energy-conserving dissipative particle dynamics with ###
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### temperature-dependent properties". J. Comput. Phys., ###
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### 2014, 265: 113-127. DOI: 10.1016/j.jcp.2014.02.003 ###
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########################################################################
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units lj
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dimension 3
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boundary p p p
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neighbor 0.2 bin
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neigh_modify every 1 delay 0 check yes
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atom_style edpd
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comm_modify vel yes
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region edpd block -10 10 -10 10 -5 5 units box
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create_box 1 edpd
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create_atoms 1 random 16000 276438 NULL
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mass 1 1.0
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set atom * edpd/temp 1.0
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set atom * edpd/cv 1.0E5
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pair_style edpd 1.58 9872598
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#pair_coeff 1 1 18.75 4.5 0.41 1.58 1.45E-5 2.0 1.58
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pair_coeff 1 1 18.75 4.5 0.41 1.58 1.41E-5 2.0 1.58 &
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power 10.54 -3.66 3.44 -4.10 &
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kappa -0.44 -3.21 5.04 0.00
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compute mythermo all temp
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thermo 100
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thermo_modify temp mythermo
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thermo_modify flush yes
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velocity all create 1.0 432982 loop local dist gaussian
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region upper block -10.0 10.0 0.0 10.0 -5.0 5.0
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region lower block -10.0 10.0 -10.0 0.0 -5.0 5.0
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fix mvv all mvv/edpd 0.5
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fix upper all edpd/source region upper 0.011
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fix lower all edpd/source region lower -0.011
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timestep 0.01
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run 500
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reset_timestep 0
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compute temp all edpd/temp/atom
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compute ccT all chunk/atom bin/1d y 0.0 1.0
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fix stat all ave/chunk 1 500 500 ccT c_temp density/number norm sample file temp.profile
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run 500
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