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compute_dilatation_atom.txt
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.. index:: compute dilatation/atom
compute dilatation/atom command
===============================
Syntax
""""""
.. parsed-literal::
compute ID group-ID dilatation/atom
* ID, group-ID are documented in compute command
* dilation/atom = style name of this compute command
Examples
""""""""
.. parsed-literal::
compute 1 all dilatation/atom
Description
"""""""""""
Define a computation that calculates the per-atom dilatation for each
atom in a group. This is a quantity relevant for :doc:`Peridynamics models <pair_peri>`. See `this document <PDF/PDLammps_overview.pdf>`_
for an overview of LAMMPS commands for Peridynamics modeling.
For small deformation, dilatation of is the measure of the volumetric
strain.
The dilatation "theta" for each peridynamic particle I is calculated
as a sum over its neighbors with unbroken bonds, where the
contribution of the IJ pair is a function of the change in bond length
(versus the initial length in the reference state), the volume
fraction of the particles and an influence function. See the
`PDLAMMPS user guide <http://www.sandia.gov/~mlparks/papers/PDLAMMPS.pdf>`_ for a formal
definition of dilatation.
This command can only be used with a subset of the Peridynamic :doc:`pair styles <pair_peri>`: peri/lps, peri/ves and peri/eps.
The dilatation value will be 0.0 for atoms not in the specified
compute group.
**Output info:**
This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
Section_howto 15 for an overview of LAMMPS output options.
The per-atom vector values are unitlesss numbers (theta) >= 0.0.
Restrictions
""""""""""""
This compute is part of the PERI package. It is only enabled if
LAMMPS was built with that package. See the :ref:`Making LAMMPS <start_3>` section for more info.
Related commands
""""""""""""""""
:doc:`compute damage <compute_damage>`, :doc:`compute plasticity <compute_plasticity>`
**Default:** none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Section_commands.html#comm
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