Homec4science
Diffusion lammps (lammm-devel) Browse

lammps/doc/src/fix_dpd_source.txt
26c15140be20lammm-devel

Last Change
Raw File

fix_dpd_source.txt
View Options

"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
fix edpd/source command :h3
fix tdpd/source command :h3
[Syntax:]
fix ID group-ID edpd/source keyword values ...
fix ID group-ID tdpd/source cc_index keyword values ... :pre
ID, group-ID are documented in "fix"_fix.html command :ulb,l
edpd/source or tdpd/source = style name of this fix command :l
index (only specified for tdpd/source) = index of chemical species (1 to Nspecies) :l
keyword = {sphere} or {cuboid} :l
{sphere} values = cx,cy,cz,radius,source
cx,cy,cz = x,y,z center of spherical domain (distance units)
radius = radius of a spherical domain (distance units)
source = heat source or concentration source (flux units, see below)
{cuboid} values = cx,cy,cz,dLx,dLy,dLz,source
cx,cy,cz = x,y,z lower left corner of a cuboid domain (distance units)
dLx,dLy,dLz = x,y,z side length of a cuboid domain (distance units)
source = heat source or concentration source (flux units, see below) :pre
:ule
[Examples:]
fix 1 all edpd/source sphere 0.0 0.0 0.0 5.0 0.01
fix 1 all edpd/source cuboid 0.0 0.0 0.0 20.0 10.0 10.0 -0.01
fix 1 all tdpd/source 1 sphere 5.0 0.0 0.0 5.0 0.01
fix 1 all tdpd/source 2 cuboid 0.0 0.0 0.0 20.0 10.0 10.0 0.01 :pre
[Description:]
Fix {edpd/source} adds a heat source as an external heat flux to each
atom in a spherical or cuboid domain, where the {source} is in units
of energy/time. Fix {tdpd/source} adds an external concentration
source of the chemical species specified by {index} as an external
concentration flux for each atom in a spherical or cuboid domain,
where the {source} is in units of mole/volume/time.
This command can be used to give an additional heat/concentration
source term to atoms in a simulation, such as for a simulation of a
heat conduction with a source term (see Fig.12 in "(Li2014)"_#Li2014)
or diffusion with a source term (see Fig.1 in "(Li2015)"_#Li2015), as
an analog of a periodic Poiseuille flow problem.
If the {sphere} keyword is used, the {cx,cy,cz,radius} defines a
spherical domain to apply the source flux to.
If the {cuboid} keyword is used, the {cx,cy,cz,dLx,dLy,dLz} defines a
cuboid domain to apply the source flux to.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart
files"_restart.html. None of the "fix_modify"_fix_modify.html options
are relevant to this fix. No global or per-atom quantities are stored
by this fix for access by various "output
commands"_Section_howto.html#howto_15. No parameter of this fix can
be used with the {start/stop} keywords of the "run"_run.html command.
This fix is not invoked during "energy minimization"_minimize.html.
[Restrictions:]
This fix is part of the USER-MESO package. It is only enabled if
LAMMPS was built with that package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.
Fix {edpd/source} must be used with the "pair_style
edpd"_pair_meso.html command. Fix {tdpd/source} must be used with the
"pair_style tdpd"_pair_meso.html command.
[Related commands:]
"pair_style edpd"_pair_meso.html, "pair_style tdpd"_pair_meso.html,
"compute edpd/temp/atom"_compute_edpd_temp_atom.html, "compute
tdpd/cc/atom"_compute_tdpd_cc_atom.html
[Default:] none
:line
:link(Li2014)
[(Li2014)] Z. Li, Y.-H. Tang, H. Lei, B. Caswell and G.E. Karniadakis,
"Energy-conserving dissipative particle dynamics with
temperature-dependent properties", J. Comput. Phys., 265: 113-127
(2014). DOI: 10.1016/j.jcp.2014.02.003
:link(Li2015)
[(Li2015)] Z. Li, A. Yazdani, A. Tartakovsky and G.E. Karniadakis,
"Transport dissipative particle dynamics model for mesoscopic
advection-diffusion-reaction problems", J. Chem. Phys., 143: 014101
(2015). DOI: 10.1063/1.4923254
c4science · Help