forked from lijiext/lammps
372 lines
16 KiB
HTML
372 lines
16 KiB
HTML
|
|
|
|
<!DOCTYPE html>
|
|
<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
|
|
<!--[if gt IE 8]><!--> <html class="no-js" lang="en" > <!--<![endif]-->
|
|
<head>
|
|
<meta charset="utf-8">
|
|
|
|
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
|
|
|
<title>pair_style peri/pmb command — LAMMPS documentation</title>
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
<link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
|
|
|
|
|
|
|
|
<link rel="stylesheet" href="_static/sphinxcontrib-images/LightBox2/lightbox2/css/lightbox.css" type="text/css" />
|
|
|
|
|
|
|
|
<link rel="top" title="LAMMPS documentation" href="index.html"/>
|
|
|
|
|
|
<script src="_static/js/modernizr.min.js"></script>
|
|
|
|
</head>
|
|
|
|
<body class="wy-body-for-nav" role="document">
|
|
|
|
<div class="wy-grid-for-nav">
|
|
|
|
|
|
<nav data-toggle="wy-nav-shift" class="wy-nav-side">
|
|
<div class="wy-side-nav-search">
|
|
|
|
|
|
|
|
<a href="Manual.html" class="icon icon-home"> LAMMPS
|
|
|
|
|
|
|
|
</a>
|
|
|
|
|
|
<div role="search">
|
|
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
|
|
<input type="text" name="q" placeholder="Search docs" />
|
|
<input type="hidden" name="check_keywords" value="yes" />
|
|
<input type="hidden" name="area" value="default" />
|
|
</form>
|
|
</div>
|
|
|
|
|
|
</div>
|
|
|
|
<div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="main navigation">
|
|
|
|
|
|
|
|
<ul>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying & extending LAMMPS</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
|
|
</ul>
|
|
|
|
|
|
|
|
</div>
|
|
|
|
</nav>
|
|
|
|
<section data-toggle="wy-nav-shift" class="wy-nav-content-wrap">
|
|
|
|
|
|
<nav class="wy-nav-top" role="navigation" aria-label="top navigation">
|
|
<i data-toggle="wy-nav-top" class="fa fa-bars"></i>
|
|
<a href="Manual.html">LAMMPS</a>
|
|
</nav>
|
|
|
|
|
|
|
|
<div class="wy-nav-content">
|
|
<div class="rst-content">
|
|
<div role="navigation" aria-label="breadcrumbs navigation">
|
|
<ul class="wy-breadcrumbs">
|
|
<li><a href="Manual.html">Docs</a> »</li>
|
|
|
|
<li>pair_style peri/pmb command</li>
|
|
<li class="wy-breadcrumbs-aside">
|
|
|
|
|
|
<a href="http://lammps.sandia.gov">Website</a>
|
|
<a href="Section_commands.html#comm">Commands</a>
|
|
|
|
</li>
|
|
</ul>
|
|
<hr/>
|
|
|
|
</div>
|
|
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
|
|
<div itemprop="articleBody">
|
|
|
|
<div class="section" id="pair-style-peri-pmb-command">
|
|
<span id="index-0"></span><h1>pair_style peri/pmb command<a class="headerlink" href="#pair-style-peri-pmb-command" title="Permalink to this headline">¶</a></h1>
|
|
</div>
|
|
<div class="section" id="pair-style-peri-pmb-omp-command">
|
|
<h1>pair_style peri/pmb/omp command<a class="headerlink" href="#pair-style-peri-pmb-omp-command" title="Permalink to this headline">¶</a></h1>
|
|
</div>
|
|
<div class="section" id="pair-style-peri-lps-command">
|
|
<h1>pair_style peri/lps command<a class="headerlink" href="#pair-style-peri-lps-command" title="Permalink to this headline">¶</a></h1>
|
|
</div>
|
|
<div class="section" id="pair-style-peri-lps-omp-command">
|
|
<h1>pair_style peri/lps/omp command<a class="headerlink" href="#pair-style-peri-lps-omp-command" title="Permalink to this headline">¶</a></h1>
|
|
</div>
|
|
<div class="section" id="pair-style-peri-ves-command">
|
|
<h1>pair_style peri/ves command<a class="headerlink" href="#pair-style-peri-ves-command" title="Permalink to this headline">¶</a></h1>
|
|
</div>
|
|
<div class="section" id="pair-style-peri-eps-command">
|
|
<h1>pair_style peri/eps command<a class="headerlink" href="#pair-style-peri-eps-command" title="Permalink to this headline">¶</a></h1>
|
|
<div class="section" id="syntax">
|
|
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline">¶</a></h2>
|
|
<div class="highlight-python"><div class="highlight"><pre>pair_style style
|
|
</pre></div>
|
|
</div>
|
|
<p>style = <em>peri/pmb</em> or <em>peri/lps</em> or <em>peri/ves</em> or <em>peri/eps</em>:ul</p>
|
|
</div>
|
|
<div class="section" id="examples">
|
|
<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline">¶</a></h2>
|
|
<div class="highlight-python"><div class="highlight"><pre>pair_style peri/pmb
|
|
pair_coeff * * 1.6863e22 0.0015001 0.0005 0.25
|
|
</pre></div>
|
|
</div>
|
|
<div class="highlight-python"><div class="highlight"><pre>pair_style peri/lps
|
|
pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25
|
|
</pre></div>
|
|
</div>
|
|
<div class="highlight-python"><div class="highlight"><pre>pair_style peri/ves
|
|
pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 0.5 0.001
|
|
</pre></div>
|
|
</div>
|
|
<div class="highlight-python"><div class="highlight"><pre>pair_style peri/eps
|
|
pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 118.43
|
|
</pre></div>
|
|
</div>
|
|
</div>
|
|
<div class="section" id="description">
|
|
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
|
|
<p>The peridynamic pair styles implement material models that can be used
|
|
at the mescscopic and macroscopic scales. See <a class="reference external" href="PDF/PDLammps_overview.pdf">this document</a> for an overview of LAMMPS commands
|
|
for Peridynamics modeling.</p>
|
|
<p>Style <em>peri/pmb</em> implements the Peridynamic bond-based prototype
|
|
microelastic brittle (PMB) model.</p>
|
|
<p>Style <em>peri/lps</em> implements the Peridynamic state-based linear
|
|
peridynamic solid (LPS) model.</p>
|
|
<p>Style <em>peri/ves</em> implements the Peridynamic state-based linear
|
|
peridynamic viscoelastic solid (VES) model.</p>
|
|
<p>Style <em>peri/eps</em> implements the Peridynamic state-based elastic-plastic
|
|
solid (EPS) model.</p>
|
|
<p>The canonical papers on Peridynamics are <a class="reference internal" href="#silling2000"><span>(Silling 2000)</span></a>
|
|
and <a class="reference internal" href="#silling2007"><span>(Silling 2007)</span></a>. The implementation of Peridynamics
|
|
in LAMMPS is described in <a class="reference internal" href="#parks"><span>(Parks)</span></a>. Also see the <a class="reference external" href="http://www.sandia.gov/~mlparks/papers/PDLAMMPS.pdf">PDLAMMPS user guide</a> for
|
|
more details about its implementation.</p>
|
|
<p>The peridynamic VES and EPS models in PDLAMMPS were implemented by
|
|
R. Rahman and J. T. Foster at University of Texas at San Antonio. The
|
|
original VES formulation is described in “(Mitchell2011)” and the
|
|
original EPS formulation is in “(Mitchell2011a)”. Additional PDF docs
|
|
that describe the VES and EPS implementations are include in the
|
|
LAMMPS distro in <a class="reference external" href="PDF/PDLammps_VES.pdf">doc/PDF/PDLammps_VES.pdf</a> and
|
|
<a class="reference external" href="PDF/PDLammps_EPS.pdf">doc/PDF/PDLammps_EPS.pdf</a>. For questions
|
|
regarding the VES and EPS models in LAMMPS you can contact R. Rahman
|
|
(rezwanur.rahman at utsa.edu).</p>
|
|
<p>The following coefficients must be defined for each pair of atom types
|
|
via the <a class="reference internal" href="pair_coeff.html"><em>pair_coeff</em></a> command as in the examples above,
|
|
or in the data file or restart files read by the
|
|
<a class="reference internal" href="read_data.html"><em>read_data</em></a> or <a class="reference internal" href="read_restart.html"><em>read_restart</em></a>
|
|
commands, or by mixing as described below.</p>
|
|
<p>For the <em>peri/pmb</em> style:</p>
|
|
<ul class="simple">
|
|
<li>c (energy/distance/volume^2 units)</li>
|
|
<li>horizon (distance units)</li>
|
|
<li>s00 (unitless)</li>
|
|
<li>alpha (unitless)</li>
|
|
</ul>
|
|
<p>C is the effectively a spring constant for Peridynamic bonds, the
|
|
horizon is a cutoff distance for truncating interactions, and s00 and
|
|
alpha are used as a bond breaking criteria. The units of c are such
|
|
that c/distance = stiffness/volume^2, where stiffness is
|
|
energy/distance^2 and volume is distance^3. See the users guide for
|
|
more details.</p>
|
|
<p>For the <em>peri/lps</em> style:</p>
|
|
<ul class="simple">
|
|
<li>K (force/area units)</li>
|
|
<li>G (force/area units)</li>
|
|
<li>horizon (distance units)</li>
|
|
<li>s00 (unitless)</li>
|
|
<li>alpha (unitless)</li>
|
|
</ul>
|
|
<p>K is the bulk modulus and G is the shear modulus. The horizon is a
|
|
cutoff distance for truncating interactions, and s00 and alpha are
|
|
used as a bond breaking criteria. See the users guide for more
|
|
details.</p>
|
|
<p>For the <em>peri/ves</em> style:</p>
|
|
<ul class="simple">
|
|
<li>K (force/area units)</li>
|
|
<li>G (force/area units)</li>
|
|
<li>horizon (distance units)</li>
|
|
<li>s00 (unitless)</li>
|
|
<li>alpha (unitless)</li>
|
|
<li>m_lambdai (unitless)</li>
|
|
<li>m_taubi (unitless)</li>
|
|
</ul>
|
|
<p>K is the bulk modulus and G is the shear modulus. The horizon is a
|
|
cutoff distance for truncating interactions, and s00 and alpha are
|
|
used as a bond breaking criteria. m_lambdai and m_taubi are the
|
|
viscoelastic relaxation parameter and time constant,
|
|
respectively. m_lambdai varies within zero to one. For very small
|
|
values of m_lambdai the viscoelsatic model responds very similar to a
|
|
linear elastic model. For details please see the description in
|
|
“(Mtchell2011)”.</p>
|
|
<p>For the <em>peri/eps</em> style:</p>
|
|
<p>K (force/area units)
|
|
G (force/area units)
|
|
horizon (distance units)
|
|
s00 (unitless)
|
|
alpha (unitless)
|
|
m_yield_stress (force/area units)</p>
|
|
<p>K is the bulk modulus and G is the shear modulus. The horizon is a
|
|
cutoff distance and s00 and alpha are used as a bond breaking
|
|
criteria. m_yield_stress is the yield stress of the material. For
|
|
details please see the description in “(Mtchell2011a)”.</p>
|
|
<hr class="docutils" />
|
|
<p>Styles with a <em>cuda</em>, <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
|
|
functionally the same as the corresponding style without the suffix.
|
|
They have been optimized to run faster, depending on your available
|
|
hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><em>Section_accelerate</em></a>
|
|
of the manual. The accelerated styles take the same arguments and
|
|
should produce the same results, except for round-off and precision
|
|
issues.</p>
|
|
<p>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
|
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
|
enabled if LAMMPS was built with those packages. See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
|
|
<p>You can specify the accelerated styles explicitly in your input script
|
|
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span>-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
|
|
use the <a class="reference internal" href="suffix.html"><em>suffix</em></a> command in your input script.</p>
|
|
<p>See <a class="reference internal" href="Section_accelerate.html"><em>Section_accelerate</em></a> of the manual for
|
|
more instructions on how to use the accelerated styles effectively.</p>
|
|
<hr class="docutils" />
|
|
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
|
|
<p>These pair styles do not support mixing. Thus, coefficients for all
|
|
I,J pairs must be specified explicitly.</p>
|
|
<p>These pair styles do not support the <a class="reference internal" href="pair_modify.html"><em>pair_modify</em></a>
|
|
shift option.</p>
|
|
<p>The <a class="reference internal" href="pair_modify.html"><em>pair_modify</em></a> table and tail options are not
|
|
relevant for these pair styles.</p>
|
|
<p>These pair styles write their information to <a class="reference internal" href="restart.html"><em>binary restart files</em></a>, so pair_style and pair_coeff commands do not need
|
|
to be specified in an input script that reads a restart file.</p>
|
|
<p>These pair styles can only be used via the <em>pair</em> keyword of the
|
|
<a class="reference internal" href="run_style.html"><em>run_style respa</em></a> command. They do not support the
|
|
<em>inner</em>, <em>middle</em>, <em>outer</em> keywords.</p>
|
|
</div>
|
|
<hr class="docutils" />
|
|
<div class="section" id="restrictions">
|
|
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline">¶</a></h2>
|
|
<p>All of these styles are part of the PERI package. They are only
|
|
enabled if LAMMPS was built with that package. See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
|
|
</div>
|
|
<div class="section" id="related-commands">
|
|
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline">¶</a></h2>
|
|
<p><a class="reference internal" href="pair_coeff.html"><em>pair_coeff</em></a></p>
|
|
<p><strong>Default:</strong> none</p>
|
|
<hr class="docutils" />
|
|
<p id="parks"><strong>(Parks)</strong> Parks, Lehoucq, Plimpton, Silling, Comp Phys Comm, 179(11),
|
|
777-783 (2008).</p>
|
|
<p id="silling2000"><strong>(Silling 2000)</strong> Silling, J Mech Phys Solids, 48, 175-209 (2000).</p>
|
|
<p id="silling2007"><strong>(Silling 2007)</strong> Silling, Epton, Weckner, Xu, Askari, J Elasticity,
|
|
88, 151-184 (2007).</p>
|
|
<p id="mitchell2011"><strong>(Mitchell2011)</strong> Mitchell. A non-local, ordinary-state-based
|
|
viscoelasticity model for peridynamics. Sandia National Lab Report,
|
|
8064:1-28 (2011).</p>
|
|
<p id="mitchell2011a"><strong>(Mitchell2011a)</strong> Mitchell. A Nonlocal, Ordinary, State-Based
|
|
Plasticity Model for Peridynamics. Sandia National Lab Report,
|
|
3166:1-34 (2011).</p>
|
|
</div>
|
|
</div>
|
|
|
|
|
|
</div>
|
|
</div>
|
|
<footer>
|
|
|
|
|
|
<hr/>
|
|
|
|
<div role="contentinfo">
|
|
<p>
|
|
© Copyright 2013 Sandia Corporation.
|
|
</p>
|
|
</div>
|
|
Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/snide/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>.
|
|
|
|
</footer>
|
|
|
|
</div>
|
|
</div>
|
|
|
|
</section>
|
|
|
|
</div>
|
|
|
|
|
|
|
|
|
|
|
|
<script type="text/javascript">
|
|
var DOCUMENTATION_OPTIONS = {
|
|
URL_ROOT:'./',
|
|
VERSION:'',
|
|
COLLAPSE_INDEX:false,
|
|
FILE_SUFFIX:'.html',
|
|
HAS_SOURCE: true
|
|
};
|
|
</script>
|
|
<script type="text/javascript" src="_static/jquery.js"></script>
|
|
<script type="text/javascript" src="_static/underscore.js"></script>
|
|
<script type="text/javascript" src="_static/doctools.js"></script>
|
|
<script type="text/javascript" src="https://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML"></script>
|
|
<script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2/js/jquery-1.11.0.min.js"></script>
|
|
<script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2/js/lightbox.min.js"></script>
|
|
<script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2-customize/jquery-noconflict.js"></script>
|
|
|
|
|
|
|
|
|
|
|
|
<script type="text/javascript" src="_static/js/theme.js"></script>
|
|
|
|
|
|
|
|
|
|
<script type="text/javascript">
|
|
jQuery(function () {
|
|
SphinxRtdTheme.StickyNav.enable();
|
|
});
|
|
</script>
|
|
|
|
|
|
</body>
|
|
</html> |