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rLAMMPS lammps
pair_peri_pmb.html
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<HTML>
<CENTER><A
HREF =
"http://lammps.sandia.gov"
>
LAMMPS WWW Site
</A>
-
<A
HREF =
"Manual.html"
>
LAMMPS Documentation
</A>
-
<A
HREF =
"Section_commands.html#comm"
>
LAMMPS Commands
</A>
</CENTER>
<HR>
<H3>
pair_style peri/pmb command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
pair_style peri/pmb
</PRE>
<P><B>
Examples:
</B>
</P>
<PRE>
pair_style peri/pmb
pair_coeff * * 1.6863e22 0.0015001 0.0005 0.25
</PRE>
<P><B>
Description:
</B>
</P>
<P>
Style
<I>
peri/pmb
</I>
style implements the Peridynamic bond-based prototype
microelastic brittle (PMB) model, which can be used to model materials
at the mesoscopic or macroscopic scale. The implementation of
Peridynamics in LAMMPS is described in
<A
HREF =
"#Parks"
>
(Parks)
</A>
. Also see the
<A
HREF =
"http://www.sandia.gov/~mlparks/papers/PDLAMMPS.pdf"
>
PDLAMMPS user
guide
</A>
for more
details about this particular potential.
</P>
<P>
The following coefficients must be defined for each pair of atom
types via the
<A
HREF =
"pair_coeff.html"
>
pair_coeff
</A>
command as in the examples
above, or in the data file or restart files read by the
<A
HREF =
"read_data.html"
>
read_data
</A>
or
<A
HREF =
"read_restart.html"
>
read_restart
</A>
commands, or by mixing as described below:
</P>
<UL><LI>
K (energy/distance^2 units)
<LI>
horizon (distance units)
<LI>
s00 (?? units)
<LI>
alpha (?? units)
</UL>
<P>
K is the 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. See the users guide for more
details.
</P>
<HR>
<P><B>
Mixing, shift, table, tail correction, restart, rRESPA info
</B>
:
</P>
<P>
This pair style does not support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
</P>
<P>
This pair style does not support the
<A
HREF =
"pair_modify.html"
>
pair_modify
</A>
shift option.
</P>
<P>
The
<A
HREF =
"pair_modify.html"
>
pair_modify
</A>
table and tail options are not
relevant for this pair style.
</P>
<P>
This pair style writes its information to
<A
HREF =
"restart.html"
>
binary restart
files
</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>
This pair style can only be used via the
<I>
pair
</I>
keyword of the
<A
HREF =
"run_style.html"
>
run_style respa
</A>
command. It does not support the
<I>
inner
</I>
,
<I>
middle
</I>
,
<I>
outer
</I>
keywords.
</P>
<HR>
<P><B>
Restrictions:
</B>
</P>
<P>
The
<I>
peri/pmb
</I>
style is part of the "peri" package. It is only
enabled if LAMMPS was built with that package. See the
<A
HREF =
"Section_start.html#2_3"
>
Making
LAMMPS
</A>
section for more info.
</P>
<P><B>
Related commands:
</B>
</P>
<P><A
HREF =
"pair_coeff.html"
>
pair_coeff
</A>
</P>
<P><B>
Default:
</B>
none
</P>
<HR>
<A
NAME =
"Parks"
></A>
<P><B>
(Parks)
</B>
Parks, Lehoucq, Plimpton, Silling, to appear in Comp Phys
Comm, (2008).
</P>
</HTML>
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