70 lines
1.6 KiB
ReStructuredText
70 lines
1.6 KiB
ReStructuredText
.. index:: fix eos/cv
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fix eos/cv command
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==================
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Syntax
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""""""
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.. code-block:: LAMMPS
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fix ID group-ID eos/cv cv
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* ID, group-ID are documented in :doc:`fix <fix>` command
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* eos/cv = style name of this fix command
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* cv = constant-volume heat capacity (energy/temperature units)
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix 1 all eos/cv 0.01
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Description
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"""""""""""
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Fix *eos/cv* applies a mesoparticle equation of state to relate the
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particle internal energy (:math:`u_i`) to the particle internal temperature
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(:math:`\theta_i`). The *eos/cv* mesoparticle equation of state requires
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the constant-volume heat capacity, and is defined as follows:
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.. math::
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u_{i} = u^{mech}_{i} + u^{cond}_{i} = C_{V} \theta_{i}
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where :math:`C_V` is the constant-volume heat capacity, :math:`u^{cond}`
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is the internal conductive energy, and :math:`u^{mech}` is the internal
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mechanical energy. Note that alternative definitions of the mesoparticle
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equation of state are possible.
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----------
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Restrictions
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""""""""""""
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This command is part of the DPD-REACT package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package <Build_package>` page for more info.
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This command also requires use of the :doc:`atom_style dpd <atom_style>`
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command.
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Related commands
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""""""""""""""""
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:doc:`fix shardlow <fix_shardlow>`, :doc:`pair dpd/fdt <pair_dpd_fdt>`
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Default
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"""""""
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none
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----------
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.. _Larentzos4:
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**(Larentzos)** J.P. Larentzos, J.K. Brennan, J.D. Moore, and
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W.D. Mattson, "LAMMPS Implementation of Constant Energy Dissipative
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Particle Dynamics (DPD-E)", ARL-TR-6863, U.S. Army Research
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Laboratory, Aberdeen Proving Ground, MD (2014).
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