112 lines
4.0 KiB
ReStructuredText
112 lines
4.0 KiB
ReStructuredText
.. index:: fix edpd/source
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.. index:: fix tdpd/source
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fix edpd/source command
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=======================
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fix tdpd/source command
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=======================
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Syntax
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""""""
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.. parsed-literal::
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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 ...
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* ID, group-ID are documented in :doc:`fix <fix>` command
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* edpd/source or tdpd/source = style name of this fix command
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* index (only specified for tdpd/source) = index of chemical species (1 to Nspecies)
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* keyword = *sphere* or *cuboid*
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.. parsed-literal::
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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)
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Examples
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""""""""
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.. code-block:: LAMMPS
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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
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Description
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"""""""""""
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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 :ref:`(Li2014) <Li2014b>`)
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or diffusion with a source term (see Fig.1 in :ref:`(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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----------
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Restart, fix_modify, output, run start/stop, minimize info
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"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
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No information about this fix is written to :doc:`binary restart files <restart>`. None of the :doc:`fix_modify <fix_modify>` 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 :doc:`output commands <Howto_output>`.
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No parameter of this fix can be used with the *start/stop* keywords of
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the :doc:`run <run>` command. This fix is not invoked during :doc:`energy minimization <minimize>`.
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Restrictions
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""""""""""""
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This fix is part of the USER-MESODPD package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
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Fix *edpd/source* must be used with the :doc:`pair_style edpd <pair_mesodpd>` command. Fix *tdpd/source* must be used with the
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:doc:`pair_style tdpd <pair_mesodpd>` command.
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Related commands
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""""""""""""""""
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:doc:`pair_style edpd <pair_mesodpd>`, :doc:`pair_style tdpd <pair_mesodpd>`,
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:doc:`compute edpd/temp/atom <compute_edpd_temp_atom>`, :doc:`compute tdpd/cc/atom <compute_tdpd_cc_atom>`
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Default
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"""""""
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none
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----------
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.. _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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.. _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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