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<div class="section" id="fix-wall-gran-command">
<span id="index-0"></span><h1>fix wall/gran command</h1>
<div class="section" id="syntax">
<h2>Syntax</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">wall</span><span class="o">/</span><span class="n">gran</span> <span class="n">Kn</span> <span class="n">Kt</span> <span class="n">fstyle</span> <span class="n">gamma_n</span> <span class="n">gamma_t</span> <span class="n">xmu</span> <span class="n">dampflag</span> <span class="n">wallstyle</span> <span class="n">args</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
<ul class="simple">
<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
<li>wall/gran = style name of this fix command</li>
<li>fstyle = style of force interactions between particles and wall</li>
</ul>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">possible</span> <span class="n">choices</span><span class="p">:</span> <span class="n">hooke</span><span class="p">,</span> <span class="n">hooke</span><span class="o">/</span><span class="n">history</span><span class="p">,</span> <span class="n">hertz</span><span class="o">/</span><span class="n">history</span>
</pre></div>
</div>
<ul class="simple">
<li>Kn = elastic constant for normal particle repulsion (force/distance units or pressure units - see discussion below)</li>
<li>Kt = elastic constant for tangential contact (force/distance units or pressure units - see discussion below)</li>
<li>gamma_n = damping coefficient for collisions in normal direction (1/time units or 1/time-distance units - see discussion below)</li>
<li>gamma_t = damping coefficient for collisions in tangential direction (1/time units or 1/time-distance units - see discussion below)</li>
<li>xmu = static yield criterion (unitless value between 0.0 and 1.0e4)</li>
<li>dampflag = 0 or 1 if tangential damping force is excluded or included</li>
<li>wallstyle = <em>xplane</em> or <em>yplane</em> or <em>zplane</em> or <em>zcylinder</em></li>
<li>args = list of arguments for a particular style</li>
</ul>
<pre class="literal-block">
<em>xplane</em> or <em>yplane</em> or <em>zplane</em> args = lo hi
lo,hi = position of lower and upper plane (distance units), either can be NULL)
<em>zcylinder</em> args = radius
radius = cylinder radius (distance units)
</pre>
<ul class="simple">
<li>zero or more keyword/value pairs may be appended to args</li>
<li>keyword = <em>wiggle</em> or <em>shear</em></li>
</ul>
<pre class="literal-block">
<em>wiggle</em> values = dim amplitude period
dim = <em>x</em> or <em>y</em> or <em>z</em>
amplitude = size of oscillation (distance units)
period = time of oscillation (time units)
<em>shear</em> values = dim vshear
dim = <em>x</em> or <em>y</em> or <em>z</em>
vshear = magnitude of shear velocity (velocity units)
</pre>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">wall</span><span class="o">/</span><span class="n">gran</span> <span class="n">hooke</span> <span class="mf">200000.0</span> <span class="n">NULL</span> <span class="mf">50.0</span> <span class="n">NULL</span> <span class="mf">0.5</span> <span class="mi">0</span> <span class="n">xplane</span> <span class="o">-</span><span class="mf">10.0</span> <span class="mf">10.0</span>
<span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">wall</span><span class="o">/</span><span class="n">gran</span> <span class="n">hooke</span><span class="o">/</span><span class="n">history</span> <span class="mf">200000.0</span> <span class="n">NULL</span> <span class="mf">50.0</span> <span class="n">NULL</span> <span class="mf">0.5</span> <span class="mi">0</span> <span class="n">zplane</span> <span class="mf">0.0</span> <span class="n">NULL</span>
<span class="n">fix</span> <span class="mi">2</span> <span class="nb">all</span> <span class="n">wall</span><span class="o">/</span><span class="n">gran</span> <span class="n">hooke</span> <span class="mf">100000.0</span> <span class="mf">20000.0</span> <span class="mf">50.0</span> <span class="mf">30.0</span> <span class="mf">0.5</span> <span class="mi">1</span> <span class="n">zcylinder</span> <span class="mf">15.0</span> <span class="n">wiggle</span> <span class="n">z</span> <span class="mf">3.0</span> <span class="mf">2.0</span>
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description</h2>
<p>Bound the simulation domain of a granular system with a frictional
wall. All particles in the group interact with the wall when they are
close enough to touch it.</p>
<p>The nature of the wall/particle interactions are determined by the
<em>fstyle</em> setting. It can be any of the styles defined by the
<a class="reference internal" href="pair_gran.html"><span class="doc">pair_style granular</span></a> commands. Currently this is
<em>hooke</em>, <em>hooke/history</em>, or <em>hertz/history</em>. The equation for the
force between the wall and particles touching it is the same as the
corresponding equation on the <a class="reference internal" href="pair_gran.html"><span class="doc">pair_style granular</span></a> doc
page, in the limit of one of the two particles going to infinite
radius and mass (flat wall). I.e. delta = radius - r = overlap of
particle with wall, m_eff = mass of particle, and sqrt(RiRj/Ri+Rj)
becomes sqrt(radius of particle). The units for Kn, Kt, gamma_n, and
gamma_t are as described on that doc page. The meaning of xmu and
dampflag are also as described on that page. Note that you can choose
a different force styles and/or different values for the 6
wall/particle coefficients than for particle/particle interactions.
E.g. if you wish to model the wall as a different material.</p>
<p>The parameters <em>Kn</em>, <em>Kt</em>, <em>gamma_n</em>, <em>gamma_t</em>, <em>xmu</em> and <em>dampflag</em>
have the same meaning as those specified with the <a class="reference internal" href="pair_gran.html"><span class="doc">pair_style granular</span></a> commands. This means a NULL can be used for
either <em>Kt</em> or <em>gamma_t</em> as described on that page. If a NULL is used
for <em>Kt</em>, then a default value is used where <em>Kt</em> = 2/7 <em>Kn</em>. If a
NULL is used for <em>gamma_t</em>, then a default value is used where
<em>gamma_t</em> = 1/2 <em>gamma_n</em>.</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">As discussed on the doc page for <a class="reference internal" href="pair_gran.html"><span class="doc">pair_style granular</span></a>, versions of LAMMPS before 9Jan09 used a
different equation for Hertzian interactions. This means Hertizian
wall/particle interactions have also changed. They now include a
sqrt(radius) term which was not present before. Also the previous
versions used Kn and Kt from the pairwise interaction and hardwired
dampflag to 1, rather than letting them be specified directly. This
means you can set the values of the wall/particle coefficients
appropriately in the current code to reproduce the results of a
prevoius Hertzian monodisperse calculation. For example, for the
common case of a monodisperse system with particles of diameter 1, Kn,
Kt, gamma_n, and gamma_s should be set sqrt(2.0) larger than they were
previously.</p>
</div>
<p>The effective mass <em>m_eff</em> in the formulas listed on the <a class="reference internal" href="pair_gran.html"><span class="doc">pair_style granular</span></a> doc page is the mass of the particle for
particle/wall interactions (mass of wall is infinite). If the
particle is part of a rigid body, its mass is replaced by the mass of
the rigid body in those formulas. This is determined by searching for
a <a class="reference internal" href="fix_rigid.html"><span class="doc">fix rigid</span></a> command (or its variants).</p>
<p>The <em>wallstyle</em> can be planar or cylindrical. The 3 planar options
specify a pair of walls in a dimension. Wall positions are given by
<em>lo</em> and <em>hi</em>. Either of the values can be specified as NULL if a
single wall is desired. For a <em>zcylinder</em> wallstyle, the cylinder&#8217;s
axis is at x = y = 0.0, and the radius of the cylinder is specified.</p>
<p>Optionally, the wall can be moving, if the <em>wiggle</em> or <em>shear</em>
keywords are appended. Both keywords cannot be used together.</p>
<p>For the <em>wiggle</em> keyword, the wall oscillates sinusoidally, similar to
the oscillations of particles which can be specified by the
<a class="reference internal" href="fix_move.html"><span class="doc">fix move</span></a> command. This is useful in packing
simulations of granular particles. The arguments to the <em>wiggle</em>
keyword specify a dimension for the motion, as well as it&#8217;s
<em>amplitude</em> and <em>period</em>. Note that if the dimension is in the plane
of the wall, this is effectively a shearing motion. If the dimension
is perpendicular to the wall, it is more of a shaking motion. A
<em>zcylinder</em> wall can only be wiggled in the z dimension.</p>
<p>Each timestep, the position of a wiggled wall in the appropriate <em>dim</em>
is set according to this equation:</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">position</span> <span class="o">=</span> <span class="n">coord</span> <span class="o">+</span> <span class="n">A</span> <span class="o">-</span> <span class="n">A</span> <span class="n">cos</span> <span class="p">(</span><span class="n">omega</span> <span class="o">*</span> <span class="n">delta</span><span class="p">)</span>
</pre></div>
</div>
<p>where <em>coord</em> is the specified initial position of the wall, <em>A</em> is
the <em>amplitude</em>, <em>omega</em> is 2 PI / <em>period</em>, and <em>delta</em> is the time
elapsed since the fix was specified. The velocity of the wall is set
to the derivative of this expression.</p>
<p>For the <em>shear</em> keyword, the wall moves continuously in the specified
dimension with velocity <em>vshear</em>. The dimension must be tangential to
walls with a planar <em>wallstyle</em>, e.g. in the <em>y</em> or <em>z</em> directions for
an <em>xplane</em> wall. For <em>zcylinder</em> walls, a dimension of <em>z</em> means the
cylinder is moving in the z-direction along it&#8217;s axis. A dimension of
<em>x</em> or <em>y</em> means the cylinder is spinning around the z-axis, either in
the clockwise direction for <em>vshear</em> &gt; 0 or counter-clockwise for
<em>vshear</em> &lt; 0. In this case, <em>vshear</em> is the tangential velocity of
the wall at whatever <em>radius</em> has been defined.</p>
</div>
<div class="section" id="restart-fix-modify-output-run-start-stop-minimize-info">
<h2>Restart, fix_modify, output, run start/stop, minimize info</h2>
<p>This fix writes the shear friction state of atoms interacting with the
wall to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>, so that a simulation can
continue correctly if granular potentials with shear &#8220;history&#8221; effects
are being used. See the <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a> command for
info on how to re-specify a fix in an input script that reads a
restart file, so that the operation of the fix continues in an
uninterrupted fashion.</p>
<p>None of the <a class="reference internal" href="fix_modify.html"><span class="doc">fix_modify</span></a> options are relevant to this
fix. No global or per-atom quantities are stored by this fix for
access by various <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">output commands</span></a>. No
parameter of this fix can be used with the <em>start/stop</em> keywords of
the <a class="reference internal" href="run.html"><span class="doc">run</span></a> command. This fix is not invoked during <a class="reference internal" href="minimize.html"><span class="doc">energy minimization</span></a>.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions</h2>
<p>This fix is part of the GRANULAR package. It is only enabled if
LAMMPS was built with that package. See the <a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">Making LAMMPS</span></a> section for more info.</p>
<p>Any dimension (xyz) that has a granular wall must be non-periodic.</p>
</div>
<div class="section" id="related-commands">
<h2>Related commands</h2>
<p><a class="reference internal" href="fix_move.html"><span class="doc">fix move</span></a>, <a class="reference internal" href="pair_gran.html"><span class="doc">pair_style granular</span></a></p>
<p><strong>Default:</strong> none</p>
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