102 lines
3.8 KiB
Plaintext
102 lines
3.8 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Commands_all.html)
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:line
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fix edpd/source command :h3
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fix tdpd/source command :h3
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[Syntax:]
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fix ID group-ID edpd/source keyword values ...
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fix ID group-ID tdpd/source cc_index keyword values ... :pre
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ID, group-ID are documented in "fix"_fix.html command :ulb,l
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edpd/source or tdpd/source = style name of this fix command :l
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index (only specified for tdpd/source) = index of chemical species (1 to Nspecies) :l
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keyword = {sphere} or {cuboid} :l
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{sphere} values = cx,cy,cz,radius,source
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cx,cy,cz = x,y,z center of spherical domain (distance units)
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radius = radius of a spherical domain (distance units)
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source = heat source or concentration source (flux units, see below)
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{cuboid} values = cx,cy,cz,dLx,dLy,dLz,source
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cx,cy,cz = x,y,z lower left corner of a cuboid domain (distance units)
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dLx,dLy,dLz = x,y,z side length of a cuboid domain (distance units)
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source = heat source or concentration source (flux units, see below) :pre
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:ule
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[Examples:]
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fix 1 all edpd/source sphere 0.0 0.0 0.0 5.0 0.01
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fix 1 all edpd/source cuboid 0.0 0.0 0.0 20.0 10.0 10.0 -0.01
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fix 1 all tdpd/source 1 sphere 5.0 0.0 0.0 5.0 0.01
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fix 1 all tdpd/source 2 cuboid 0.0 0.0 0.0 20.0 10.0 10.0 0.01 :pre
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[Description:]
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Fix {edpd/source} adds a heat source as an external heat flux to each
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atom in a spherical or cuboid domain, where the {source} is in units
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of energy/time. Fix {tdpd/source} adds an external concentration
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source of the chemical species specified by {index} as an external
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concentration flux for each atom in a spherical or cuboid domain,
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where the {source} is in units of mole/volume/time.
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This command can be used to give an additional heat/concentration
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source term to atoms in a simulation, such as for a simulation of a
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heat conduction with a source term (see Fig.12 in "(Li2014)"_#Li2014b)
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or diffusion with a source term (see Fig.1 in "(Li2015)"_#Li2015b), as
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an analog of a periodic Poiseuille flow problem.
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If the {sphere} keyword is used, the {cx,cy,cz,radius} defines a
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spherical domain to apply the source flux to.
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If the {cuboid} keyword is used, the {cx,cy,cz,dLx,dLy,dLz} defines a
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cuboid domain to apply the source flux to.
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:line
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[Restart, fix_modify, output, run start/stop, minimize info:]
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No information about this fix is written to "binary restart
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files"_restart.html. None of the "fix_modify"_fix_modify.html options
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are relevant to this fix. No global or per-atom quantities are stored
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by this fix for access by various "output commands"_Howto_output.html.
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No parameter of this fix can be used with the {start/stop} keywords of
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the "run"_run.html command. This fix is not invoked during "energy
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minimization"_minimize.html.
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[Restrictions:]
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This fix is part of the USER-MESO package. It is only enabled if
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LAMMPS was built with that package. See the "Build
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package"_Build_package.html doc page for more info.
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Fix {edpd/source} must be used with the "pair_style
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edpd"_pair_meso.html command. Fix {tdpd/source} must be used with the
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"pair_style tdpd"_pair_meso.html command.
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[Related commands:]
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"pair_style edpd"_pair_meso.html, "pair_style tdpd"_pair_meso.html,
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"compute edpd/temp/atom"_compute_edpd_temp_atom.html, "compute
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tdpd/cc/atom"_compute_tdpd_cc_atom.html
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[Default:] none
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:line
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:link(Li2014b)
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[(Li2014)] 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., 265: 113-127
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(2014). DOI: 10.1016/j.jcp.2014.02.003
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:link(Li2015b)
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[(Li2015)] Z. Li, A. Yazdani, A. Tartakovsky and G.E. Karniadakis,
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"Transport dissipative particle dynamics model for mesoscopic
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advection-diffusion-reaction problems", J. Chem. Phys., 143: 014101
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(2015). DOI: 10.1063/1.4923254
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