"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Commands_all.html)

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pair_style body/rounded/polyhedron command :h3

[Syntax:]

pair_style body/rounded/polyhedron c_n c_t mu delta_ua cutoff :pre

c_n = normal damping coefficient
c_t = tangential damping coefficient
mu = normal friction coefficient during gross sliding
delta_ua = multiple contact scaling factor
cutoff = global separation cutoff for interactions (distance units), see below for definition :pre

[Examples:]

pair_style body/rounded/polyhedron 20.0 5.0 0.0 1.0 0.5
pair_coeff * * 100.0 1.0
pair_coeff 1 1 100.0 1.0 :pre

[Description:]

Style {body/rounded/polygon} is for use with 3d models of body
particles of style {rounded/polyhedron}.  It calculates pairwise
body/body interactions which can include body particles modeled as
1-vertex spheres with a specified diameter.  See the "Howto
body"_Howto_body.html doc page for more details on using body
rounded/polyhedron particles.

This pairwise interaction between the rounded polyhedra is described
in "Wang"_#pair-Wang, where a polyhedron does not have sharp corners
and edges, but is rounded at its vertices and edges by spheres
centered on each vertex with a specified diameter.  The edges if the
polyhedron are defined between pairs of adjacent vertices.  Its faces
are defined by a loop of edges.  The sphere diameter for each polygon
is specified in the data file read by the "read data"_read_data.html
command.  This is a discrete element model (DEM) which allows for
multiple contact points.

Note that when two particles interact, the effective surface of each
polyhedron particle is displaced outward from each of its vertices,
edges, and faces by half its sphere diameter.  The interaction forces
and energies between two particles are defined with respect to the
separation of their respective rounded surfaces, not by the separation
of the vertices, edges, and faces themselves.

This means that the specified cutoff in the pair_style command is the
cutoff distance, r_c, for the surface separation, \delta_n (see figure
below).  This is the distance at which two particles no longer
interact.  If r_c is specified as 0.0, then it is a contact-only
interaction.  I.e. the two particles must overlap in order to exert a
repulsive force on each other.  If r_c > 0.0, then the force between
two particles will be attractive for surface separations from 0 to
r_c, and repulsive once the particles overlap.

Note that unlike for other pair styles, the specified cutoff is not
the distance between the centers of two particles at which they stop
interacting.  This center-to-center distance depends on the shape and
size of the two particles and their relative orientation.  LAMMPS
takes that into account when computing the surface separation distance
and applying the r_c cutoff.

The forces between vertex-vertex, vertex-edge, vertex-face, edge-edge,
and edge-face overlaps are given by:

:c,image(Eqs/pair_body_rounded.jpg)

:c,image(JPG/pair_body_rounded.jpg)

In "Wang"_#pair-Wang, the tangential friction force between two
particles that are in contact is modeled differently prior to gross
sliding (i.e. static friction) and during gross-sliding (kinetic
friction).  The latter takes place when the tangential deformation
exceeds the Coulomb frictional limit.  In the current implementation,
however, we do not take into account frictional history, i.e. we do
not keep track of how many time steps the two particles have been in
contact nor calculate the tangential deformation.  Instead, we assume
that gross sliding takes place as soon as two particles are in
contact.

The following coefficients must be defined for each pair of atom types
via the "pair_coeff"_pair_coeff.html command as in the examples above,
or in the data file read by the "read_data"_read_data.html command:

k_n (energy/distance^2 units)
k_na (energy/distance^2 units) :ul

Effectively, k_n and k_na are the slopes of the red lines in the plot
above for force versus surface separation, for \delta_n < 0 and 0 <
\delta_n < r_c respectively.

[Mixing, shift, table, tail correction, restart, rRESPA info]:

This pair style does not support the "pair_modify"_pair_modify.html
mix, shift, table, and tail options.

This pair style does not write its information to "binary restart
files"_restart.html.  Thus, you need to re-specify the pair_style and
pair_coeff commands in an input script that reads a restart file.

This pair style can only be used via the {pair} keyword of the
"run_style respa"_run_style.html command.  It does not support the
{inner}, {middle}, {outer} keywords.

[Restrictions:]

These pair styles are part of the BODY package.  They are only enabled
if LAMMPS was built with that package.  See the "Build
package"_Build_package.html doc page for more info.

This pair style requires the "newton"_newton.html setting to be "on"
for pair interactions.

[Related commands:]

"pair_coeff"_pair_coeff.html

[Default:] none

:link(pair-Wang)
[(Wang)] J. Wang, H. S. Yu, P. A. Langston, F. Y. Fraige, Granular
Matter, 13, 1 (2011).

