mirror of https://github.com/lammps/lammps.git
reference the Howto from the rest of the manual. Spelling fixes.
This commit is contained in:
parent
777a074744
commit
8e073c3335
|
@ -16,8 +16,8 @@ model is discretized within LAMMPS as described in the original article
|
|||
:ref:`(Parks) <Parks2>`. An example problem with comments is also
|
||||
included.
|
||||
|
||||
Quickstart
|
||||
""""""""""
|
||||
Quick Start
|
||||
"""""""""""
|
||||
|
||||
The peridynamics styles are included in the optional :ref:`PERI package
|
||||
<PKG-PERI>`. If your LAMMPS executable does not already include the
|
||||
|
@ -54,7 +54,7 @@ Some notes on this input example:
|
|||
- particles must be created on a :doc:`simple cubic lattice <lattice>`
|
||||
- using the :doc:`atom style peri <atom_style>` is required
|
||||
- an :doc:`atom map <atom_modify>` is required for indexing particles
|
||||
- The :doc:`skin distance <neighbor>` used when computing neighborlists
|
||||
- The :doc:`skin distance <neighbor>` used when computing neighbor lists
|
||||
should be defined appropriately for your choice of simulation
|
||||
parameters. The *skin* should be set to a value such that the
|
||||
peridynamic horizon plus the skin distance is larger than the maximum
|
||||
|
@ -254,11 +254,11 @@ extension :math:`\underline{e}^{\rm d}`.
|
|||
not change as bonds break. It is computed with respect to the bond
|
||||
family defined at the reference (initial) configuration.
|
||||
|
||||
The nonnegative scalar state :math:`\underline{\omega}` is an *influence
|
||||
function* :ref:`(Silling 2007) <Silling2007_2>`. For more on influence
|
||||
functions, see :ref:`(Seleson 2010) <Seleson2010>`. If an influence
|
||||
function :math:`\underline{\omega}` depends only upon the scalar
|
||||
:math:`\left\Vert \boldsymbol{\xi} \right\Vert`, (i.e.,
|
||||
The non-negative scalar state :math:`\underline{\omega}` is an
|
||||
*influence function* :ref:`(Silling 2007) <Silling2007_2>`. For more on
|
||||
influence functions, see :ref:`(Seleson 2010) <Seleson2010>`. If an
|
||||
influence function :math:`\underline{\omega}` depends only upon the
|
||||
scalar :math:`\left\Vert \boldsymbol{\xi} \right\Vert`, (i.e.,
|
||||
:math:`\underline{\omega}\left<\boldsymbol{\xi}\right> =
|
||||
\underline{\omega}\left<\left\Vert \boldsymbol{\xi} \right\Vert\right>`\
|
||||
), then :math:`\underline{\omega}` is a spherical influence function.
|
||||
|
@ -369,7 +369,7 @@ critical stretch defined as
|
|||
|
||||
s_0(t,\mathbf{\eta},\mathbf{\xi}) = s_{00} - \alpha s_{\min}(t,\mathbf{\eta},\mathbf{\xi}), \qquad s_{\min}(t) = \min_{\mathbf{\xi}} s(t,\mathbf{\eta},\mathbf{\xi}),
|
||||
|
||||
where :math:`s_{00}` and :math:`\alpha` are material-dependant
|
||||
where :math:`s_{00}` and :math:`\alpha` are material-dependent
|
||||
constants. The history function :math:`\mu` breaks bonds when the
|
||||
stretch :math:`s` exceeds the critical stretch :math:`s_0`.
|
||||
|
||||
|
@ -557,7 +557,7 @@ described in the :ref:`Damage section <peridamage>`. Bonds are recorded
|
|||
as broken in a simulation by removing them from the bond family
|
||||
:math:`\mathcal{F}_i` (see \eqref{eqn:BondFamily}).
|
||||
|
||||
A naiive implementation would have us first loop over all bonds and
|
||||
A naive implementation would have us first loop over all bonds and
|
||||
compute :math:`s_{min}` in \eqref{eqn:s0}, then loop over all bonds
|
||||
again and break bonds with a stretch :math:`s > s0` as in
|
||||
\eqref{eqn:mu}, and finally loop over all particles and compute forces
|
||||
|
@ -761,20 +761,20 @@ Pitfalls
|
|||
**Parallel Scalability**
|
||||
|
||||
LAMMPS operates in parallel in a :doc:`spatial-decomposition mode
|
||||
<Developer_par_part>`, where each processor owns a spatial subdomain of
|
||||
<Developer_par_part>`, where each processor owns a spatial sub-domain of
|
||||
the overall simulation domain and communicates with its neighboring
|
||||
processors via distributed-memory message passing (MPI) to acquire ghost
|
||||
atom information to allow forces on the atoms it owns to be
|
||||
computed. LAMMPS also uses Verlet neighbor lists which are recomputed
|
||||
every few timesteps as particles move. On these timesteps, particles
|
||||
also migrate to new processors as needed. LAMMPS decomposes the overall
|
||||
simulation domain so that spatial subdomains of nearly equal volume are
|
||||
assigned to each processor. When each subdomain contains nearly the same
|
||||
number of particles, this results in a reasonable load balance among all
|
||||
processors. As is more typical with some peridynamic simulations, some
|
||||
subdomains may contain many particles while other subdomains contain few
|
||||
particles, resulting in a load imbalance that impacts parallel
|
||||
scalability.
|
||||
simulation domain so that spatial sub-domains of nearly equal volume are
|
||||
assigned to each processor. When each sub-domain contains nearly the
|
||||
same number of particles, this results in a reasonable load balance
|
||||
among all processors. As is more typical with some peridynamic
|
||||
simulations, some sub-domains may contain many particles while other
|
||||
sub-domains contain few particles, resulting in a load imbalance that
|
||||
impacts parallel scalability.
|
||||
|
||||
**Setting the "skin" distance**
|
||||
|
||||
|
@ -937,7 +937,7 @@ In line 2 we specify that SI units are to be used. We specify the
|
|||
dimension (3) and boundary conditions ("shrink-wrapped") for the
|
||||
computational domain in lines 3 and 4. In line 5 we specify that
|
||||
peridynamic particles are to be used for this simulation. In line 7, we
|
||||
set the "skin" distance used in building the LAMMPS neighborlist. In
|
||||
set the "skin" distance used in building the LAMMPS neighbor list. In
|
||||
line 8 we set the lattice constant (in meters) and in line 10 we define
|
||||
the spatial region where the target will be placed. In line 12 we
|
||||
specify a rectangular box enclosing the target region that defines the
|
||||
|
|
|
@ -2200,6 +2200,7 @@ Foster (UTSA).
|
|||
**Supporting info:**
|
||||
|
||||
* src/PERI: filenames -> commands
|
||||
* :doc:`Peridynamics Howto <Howto_peri>`
|
||||
* `doc/PDF/PDLammps_overview.pdf <PDF/PDLammps_overview.pdf>`_
|
||||
* `doc/PDF/PDLammps_EPS.pdf <PDF/PDLammps_EPS.pdf>`_
|
||||
* `doc/PDF/PDLammps_VES.pdf <PDF/PDLammps_VES.pdf>`_
|
||||
|
|
|
@ -24,16 +24,17 @@ Description
|
|||
"""""""""""
|
||||
|
||||
Define a computation that calculates the per-atom damage 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.
|
||||
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.
|
||||
|
||||
The "damage" of a Peridynamics particles is based on the bond breakage
|
||||
between the particle and its neighbors. If all the bonds are broken
|
||||
the particle is considered to be fully damaged.
|
||||
|
||||
See the `PDLAMMPS user guide <http://www.sandia.gov/~mlparks/papers/PDLAMMPS.pdf>`_ for a formal
|
||||
definition of "damage" and more details about Peridynamics as it is
|
||||
implemented in LAMMPS.
|
||||
See the :doc:`Peridynamics Howto <Howto_peri>` for a formal definition
|
||||
of "damage" and more details about Peridynamics as it is implemented in
|
||||
LAMMPS.
|
||||
|
||||
This command can be used with all the Peridynamic pair styles.
|
||||
|
||||
|
@ -53,8 +54,9 @@ The per-atom vector values are unitless numbers (damage) :math:`\ge 0.0`.
|
|||
Restrictions
|
||||
""""""""""""
|
||||
|
||||
This compute is part of the PERI package. It is only enabled if
|
||||
LAMMPS was built with that package. See the :doc:`Build package <Build_package>` page for more info.
|
||||
This compute is part of the PERI package. It is only enabled if LAMMPS
|
||||
was built with that package. See the :doc:`Build package
|
||||
<Build_package>` page for more info.
|
||||
|
||||
Related commands
|
||||
""""""""""""""""
|
||||
|
|
|
@ -24,7 +24,8 @@ 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>`_
|
||||
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
|
||||
|
@ -32,13 +33,14 @@ strain.
|
|||
|
||||
The dilatation :math:`\theta` for each peridynamic particle :math:`i` is
|
||||
calculated as a sum over its neighbors with unbroken bonds, where the
|
||||
contribution of the :math:`ij` pair is a function of the change in bond length
|
||||
(versus the initial length in the reference state), the volume
|
||||
contribution of the :math:`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.
|
||||
:doc:`Peridynamics Howto <Howto_peri>` 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.
|
||||
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.
|
||||
|
@ -56,9 +58,9 @@ The per-atom vector values are unitless numbers :math:`(\theta \ge 0.0)`.
|
|||
Restrictions
|
||||
""""""""""""
|
||||
|
||||
This compute is part of the PERI package. It is only enabled if
|
||||
LAMMPS was built with that package. See the
|
||||
:doc:`Build package <Build_package>` page for more info.
|
||||
This compute is part of the PERI package. It is only enabled if LAMMPS
|
||||
was built with that package. See the :doc:`Build package
|
||||
<Build_package>` page for more info.
|
||||
|
||||
Related commands
|
||||
""""""""""""""""
|
||||
|
|
|
@ -51,8 +51,9 @@ Description
|
|||
"""""""""""
|
||||
|
||||
The peridynamic pair styles implement material models that can be used
|
||||
at the mesoscopic and macroscopic scales. See `this document <PDF/PDLammps_overview.pdf>`_ for an overview of LAMMPS commands
|
||||
for Peridynamics modeling.
|
||||
at the mesoscopic and macroscopic scales. See `this document
|
||||
<PDF/PDLammps_overview.pdf>`_ for an overview of LAMMPS commands for
|
||||
Peridynamics modeling.
|
||||
|
||||
Style *peri/pmb* implements the Peridynamic bond-based prototype
|
||||
microelastic brittle (PMB) model.
|
||||
|
@ -66,26 +67,27 @@ peridynamic viscoelastic solid (VES) model.
|
|||
Style *peri/eps* implements the Peridynamic state-based elastic-plastic
|
||||
solid (EPS) model.
|
||||
|
||||
The canonical papers on Peridynamics are :ref:`(Silling 2000) <Silling2000>`
|
||||
and :ref:`(Silling 2007) <Silling2007>`. The implementation of Peridynamics
|
||||
in LAMMPS is described in :ref:`(Parks) <Parks>`. Also see the `PDLAMMPS user guide <http://www.sandia.gov/~mlparks/papers/PDLAMMPS.pdf>`_ for
|
||||
more details about its implementation.
|
||||
The canonical papers on Peridynamics are :ref:`(Silling 2000)
|
||||
<Silling2000>` and :ref:`(Silling 2007) <Silling2007>`. The
|
||||
implementation of Peridynamics in LAMMPS is described in :ref:`(Parks)
|
||||
<Parks>`. Also see the :doc:`Peridynamics Howto <Howto_peri>` for more
|
||||
details about its implementation.
|
||||
|
||||
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 distribution in `doc/PDF/PDLammps_VES.pdf <PDF/PDLammps_VES.pdf>`_ and
|
||||
that describe the VES and EPS implementations are include in the LAMMPS
|
||||
distribution in `doc/PDF/PDLammps_VES.pdf <PDF/PDLammps_VES.pdf>`_ and
|
||||
`doc/PDF/PDLammps_EPS.pdf <PDF/PDLammps_EPS.pdf>`_. For questions
|
||||
regarding the VES and EPS models in LAMMPS you can contact R. Rahman
|
||||
(rezwanur.rahman at utsa.edu).
|
||||
|
||||
The following coefficients must be defined for each pair of atom types
|
||||
via the :doc:`pair_coeff <pair_coeff>` command as in the examples above,
|
||||
or in the data file or restart files read by the
|
||||
:doc:`read_data <read_data>` or :doc:`read_restart <read_restart>`
|
||||
commands, or by mixing as described below.
|
||||
or in the data file or restart files read by the :doc:`read_data
|
||||
<read_data>` or :doc:`read_restart <read_restart>` commands, or by
|
||||
mixing as described below.
|
||||
|
||||
For the *peri/pmb* style:
|
||||
|
||||
|
@ -96,8 +98,8 @@ For the *peri/pmb* style:
|
|||
|
||||
C is the effectively a spring constant for Peridynamic bonds, the
|
||||
horizon is a cutoff distance for truncating interactions, and s00 and
|
||||
:math:`\alpha` are used as a bond breaking criteria. The units of c are such
|
||||
that c/distance = stiffness/volume\^2, where stiffness is
|
||||
:math:`\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.
|
||||
|
||||
|
@ -110,8 +112,8 @@ For the *peri/lps* style:
|
|||
* :math:`\alpha` (unitless)
|
||||
|
||||
K is the bulk modulus and G is the shear modulus. The horizon is a
|
||||
cutoff distance for truncating interactions, and s00 and :math:`\alpha` are
|
||||
used as a bond breaking criteria. See the users guide for more
|
||||
cutoff distance for truncating interactions, and s00 and :math:`\alpha`
|
||||
are used as a bond breaking criteria. See the users guide for more
|
||||
details.
|
||||
|
||||
For the *peri/ves* style:
|
||||
|
@ -125,12 +127,12 @@ For the *peri/ves* style:
|
|||
* m_taubi (unitless)
|
||||
|
||||
K is the bulk modulus and G is the shear modulus. The horizon is a
|
||||
cutoff distance for truncating interactions, and s00 and :math:`\alpha` are
|
||||
used as a bond breaking criteria. m_lambdai and m_taubi are the
|
||||
cutoff distance for truncating interactions, and s00 and :math:`\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 viscoelastic model responds very similar to a
|
||||
linear elastic model. For details please see the description in
|
||||
respectively. m_lambdai varies within zero to one. For very small values
|
||||
of m_lambdai the viscoelastic model responds very similar to a linear
|
||||
elastic model. For details please see the description in
|
||||
"(Mitchell2011)".
|
||||
|
||||
For the *peri/eps* style:
|
||||
|
@ -165,8 +167,9 @@ shift option.
|
|||
The :doc:`pair_modify <pair_modify>` table and tail options are not
|
||||
relevant for these pair styles.
|
||||
|
||||
These pair styles write their information to :doc:`binary restart files <restart>`, so pair_style and pair_coeff commands do not need
|
||||
to be specified in an input script that reads a restart file.
|
||||
These pair styles write their information to :doc:`binary restart files
|
||||
<restart>`, so pair_style and pair_coeff commands do not need to be
|
||||
specified in an input script that reads a restart file.
|
||||
|
||||
These pair styles can only be used via the *pair* keyword of the
|
||||
:doc:`run_style respa <run_style>` command. They do not support the
|
||||
|
@ -177,8 +180,9 @@ These pair styles can only be used via the *pair* keyword of the
|
|||
Restrictions
|
||||
""""""""""""
|
||||
|
||||
All of these styles are part of the PERI package. They are only
|
||||
enabled if LAMMPS was built with that package. See the :doc:`Build package <Build_package>` page for more info.
|
||||
All of these styles are part of the PERI package. They are only enabled
|
||||
if LAMMPS was built with that package. See the :doc:`Build package
|
||||
<Build_package>` page for more info.
|
||||
|
||||
Related commands
|
||||
""""""""""""""""
|
||||
|
|
|
@ -747,6 +747,7 @@ dirname
|
|||
discoverable
|
||||
discretization
|
||||
discretized
|
||||
discretizing
|
||||
disp
|
||||
dissipative
|
||||
Dissipative
|
||||
|
@ -915,6 +916,7 @@ emax
|
|||
Emax
|
||||
Embt
|
||||
emi
|
||||
Emmrich
|
||||
emol
|
||||
eN
|
||||
endian
|
||||
|
@ -2125,6 +2127,7 @@ modelled
|
|||
modelling
|
||||
Modelling
|
||||
Modine
|
||||
moduli
|
||||
mofff
|
||||
MOFFF
|
||||
Mohd
|
||||
|
@ -2140,6 +2143,7 @@ Monaghan
|
|||
Monaghans
|
||||
monodisperse
|
||||
monodispersity
|
||||
monolayer
|
||||
monopole
|
||||
monovalent
|
||||
Montalenti
|
||||
|
@ -2415,6 +2419,7 @@ normy
|
|||
normz
|
||||
Noskov
|
||||
noslip
|
||||
notational
|
||||
noticable
|
||||
Nout
|
||||
noutcol
|
||||
|
@ -2775,6 +2780,7 @@ ps
|
|||
Ps
|
||||
pscreen
|
||||
pscrozi
|
||||
Pseudocode
|
||||
pseudodynamics
|
||||
pseudopotential
|
||||
pSp
|
||||
|
@ -3134,6 +3140,7 @@ sectoring
|
|||
sed
|
||||
segmental
|
||||
Seifert
|
||||
Seleson
|
||||
sellerio
|
||||
Sellerio
|
||||
Semaev
|
||||
|
@ -3212,7 +3219,7 @@ slategray
|
|||
slater
|
||||
Slepoy
|
||||
Sliozberg
|
||||
sLLG
|
||||
sLL
|
||||
sllod
|
||||
sm
|
||||
smallbig
|
||||
|
@ -3623,6 +3630,7 @@ unsmoothed
|
|||
unsolvated
|
||||
unsplit
|
||||
unstrained
|
||||
unstretched
|
||||
untar
|
||||
untilted
|
||||
Unwin
|
||||
|
|
Loading…
Reference in New Issue