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2428 lines
98 KiB
ReStructuredText
2428 lines
98 KiB
ReStructuredText
.. _usersguide_input:
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=======================
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Writing XML Input Files
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=======================
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Unlike many other Monte Carlo codes which use an arbitrary-format ASCII file
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with "cards" to specify a particular geometry, materials, and associated run
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settings, the input files for OpenMC are structured in a set of XML_ files. XML,
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which stands for eXtensible Markup Language, is a simple format that allows data
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to be exchanged efficiently between different programs and interfaces.
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Anyone who has ever seen webpages written in HTML will be familiar with the
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structure of XML whereby "tags" enclosed in angle brackets denote that a
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particular piece of data will follow. Let us examine the follow example:
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.. code-block:: xml
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<person>
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<firstname>John</firstname>
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<lastname>Smith</lastname>
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<age>27</age>
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<occupation>Health Physicist</occupation>
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</person>
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Here we see that the first tag indicates that the following data will describe a
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person. The nested tags *firstname*, *lastname*, *age*, and *occupation*
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indicate characteristics about the person being described.
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In much the same way, OpenMC input uses XML tags to describe the geometry, the
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materials, and settings for a Monte Carlo simulation.
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.. _XML: http://www.w3.org/XML/
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-----------------
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Overview of Files
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-----------------
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To assemble a complete model for OpenMC, one needs to create separate XML files
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for the geometry, materials, and settings. Additionally, there are three optional
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input files. The first is a tallies XML file that specifies physical quantities
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to be tallied. The second is a plots XML file that specifies regions of geometry
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which should be plotted. The third is a CMFD XML file that specifies coarse mesh
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acceleration geometry and execution parameters. OpenMC expects that these
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files are called:
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* ``geometry.xml``
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* ``materials.xml``
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* ``settings.xml``
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* ``tallies.xml``
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* ``plots.xml``
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* ``cmfd.xml``
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--------------------
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Validating XML Files
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--------------------
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Input files can be checked before executing OpenMC using the
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``openmc-validate-xml`` script which is installed alongside the Python API. Two
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command line arguments can be set when running ``openmc-validate-xml``:
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* ``-i``, ``--input-path`` - Location of OpenMC input files.
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*Default*: current working directory
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* ``-r``, ``--relaxng-path`` - Location of OpenMC RelaxNG files.
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*Default*: None
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If the RelaxNG path is not set, the script will search for these files because
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it expects that the user is either running the script located in the install
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directory ``bin`` folder or in ``src/utils``. Once executed, it will match
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OpenMC XML files with their RelaxNG schema and check if they are valid. Below
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is a table of the messages that will be printed after each file is checked.
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======================== ===================================
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Message Description
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======================== ===================================
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[XML ERROR] Cannot parse XML file.
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[NO RELAXNG FOUND] No RelaxNG file found for XML file.
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[NOT VALID] XML file does not match RelaxNG.
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[VALID] XML file matches RelaxNG.
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======================== ===================================
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As an example, if OpenMC is installed in the directory ``/opt/openmc/`` and the
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current working directory is where OpenMC XML input files are located, they can
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be validated using the following command:
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.. code-block:: bash
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/opt/openmc/bin/openmc-validate-xml
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--------------------------------------
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Settings Specification -- settings.xml
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--------------------------------------
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All simulation parameters and miscellaneous options are specified in the
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settings.xml file.
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``<batches>`` Element
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---------------------
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The ``<batches>`` element indicates the total number of batches to execute,
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where each batch corresponds to a tally realization. In a fixed source
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calculation, each batch consists of a number of source particles. In an
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eigenvalue calculation, each batch consists of one or many fission source
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iterations (generations), where each generation itself consists of a number of
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source neutrons.
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*Default*: None
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``<confidence_intervals>`` Element
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----------------------------------
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The ``<confidence_intervals>`` element has no attributes and has an accepted
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value of "true" or "false". If set to "true", uncertainties on tally results
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will be reported as the half-width of the 95% two-sided confidence interval. If
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set to "false", uncertainties on tally results will be reported as the sample
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standard deviation.
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*Default*: false
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``<cutoff>`` Element
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--------------------
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The ``<cutoff>`` element indicates two kinds of cutoffs. The first is the weight
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cutoff used below which particles undergo Russian roulette. Surviving particles
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are assigned a user-determined weight. Note that weight cutoffs and Russian
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rouletting are not turned on by default. The second is the energy cutoff which
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is used to kill particles under certain energy. The energy cutoff should not be
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used unless you know particles under the energy are of no importance to results
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you care. This element has the following attributes/sub-elements:
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:weight:
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The weight below which particles undergo Russian roulette.
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*Default*: 0.25
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:weight_avg:
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The weight that is assigned to particles that are not killed after Russian
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roulette.
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*Default*: 1.0
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:energy:
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The energy under which particles will be killed.
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*Default*: 0.0
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``<energy_grid>`` Element
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-------------------------
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The ``<energy_grid>`` element determines the treatment of the energy grid during
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a simulation. The valid options are "nuclide", "logarithm", and
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"material-union". Setting this element to "nuclide" will cause OpenMC to use a
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nuclide's energy grid when determining what points to interpolate between for
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determining cross sections (i.e. non-unionized energy grid). Setting this
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element to "logarithm" causes OpenMC to use a logarithmic mapping technique
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described in LA-UR-14-24530_. Setting this element to "material-union" will
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cause OpenMC to create energy grids that are unionized material-by-material and
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use these grids when determining the energy-cross section pairs to interpolate
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cross section values between.
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*Default*: logarithm
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.. note:: This element is not used in the multi-group :ref:`energy_mode`.
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.. _LA-UR-14-24530: https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/la-ur-14-24530.pdf
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.. _energy_mode:
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``<energy_mode>`` Element
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-------------------------
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The ``<energy_mode>`` element tells OpenMC if the run-mode should be
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continuous-energy or multi-group. Options for entry are: ``continuous-energy``
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or ``multi-group``.
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*Default*: continuous-energy
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``<entropy>`` Element
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---------------------
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The ``<entropy>`` element describes a mesh that is used for calculating Shannon
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entropy. This mesh should cover all possible fissionable materials in the
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problem. It has the following attributes/sub-elements:
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:dimension:
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The number of mesh cells in the x, y, and z directions, respectively.
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*Default*: If this tag is not present, the number of mesh cells is
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automatically determined by the code.
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:lower_left:
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The Cartesian coordinates of the lower-left corner of the mesh.
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*Default*: None
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:upper_right:
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The Cartesian coordinates of the upper-right corner of the mesh.
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*Default*: None
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``<generations_per_batch>`` Element
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-----------------------------------
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The ``<generations_per_batch>`` element indicates the number of total fission
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source iterations per batch for an eigenvalue calculation. This element is
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ignored for all run modes other than "eigenvalue".
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*Default*: 1
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``<inactive>`` Element
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----------------------
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The ``<inactive>`` element indicates the number of inactive batches used in a
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k-eigenvalue calculation. In general, the starting fission source iterations in
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an eigenvalue calculation can not be used to contribute to tallies since the
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fission source distribution and eigenvalue are generally not converged
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immediately. This element is ignored for all run modes other than "eigenvalue".
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*Default*: 0
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``<keff_trigger>`` Element
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--------------------------
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The ``<keff_trigger>`` element (ignored for all run modes other than
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"eigenvalue".) specifies a precision trigger on the combined
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:math:`k_{eff}`. The trigger is a convergence criterion on the uncertainty of
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the estimated eigenvalue. It has the following attributes/sub-elements:
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:type:
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The type of precision trigger. Accepted options are "variance", "std_dev",
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and "rel_err".
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:variance:
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Variance of the batch mean :math:`\sigma^2`
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:std_dev:
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Standard deviation of the batch mean :math:`\sigma`
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:rel_err:
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Relative error of the batch mean :math:`\frac{\sigma}{\mu}`
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*Default*: None
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:threshold:
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The precision trigger's convergence criterion for the
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combined :math:`k_{eff}`.
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*Default*: None
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.. note:: See section on the :ref:`trigger` for more information.
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``<log_grid_bins>`` Element
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---------------------------
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The ``<log_grid_bins>`` element indicates the number of bins to use for the
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logarithmic-mapped energy grid. Using more bins will result in energy grid
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searches over a smaller range at the expense of more memory. The default is
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based on the recommended value in LA-UR-14-24530_.
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*Default*: 8000
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.. note:: This element is not used in the multi-group :ref:`energy_mode`.
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``<max_order>`` Element
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---------------------------
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The ``<max_order>`` element allows the user to set a maximum scattering order
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to apply to every nuclide/material in the problem. That is, if the data
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library has :math:`P_3` data available, but ``<max_order>`` was set to ``1``,
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then, OpenMC will only use up to the :math:`P_1` data.
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*Default*: Use the maximum order in the data library
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.. note:: This element is not used in the continuous-energy
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:ref:`energy_mode`.
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``<no_reduce>`` Element
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-----------------------
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The ``<no_reduce>`` element has no attributes and has an accepted value of
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"true" or "false". If set to "true", all user-defined tallies and global tallies
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will not be reduced across processors in a parallel calculation. This means that
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the accumulate score in one batch on a single processor is considered as an
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independent realization for the tally random variable. For a problem with large
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tally data, this option can significantly improve the parallel efficiency.
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*Default*: false
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``<output>`` Element
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--------------------
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The ``<output>`` element determines what output files should be written to disk
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during the run. The sub-elements are described below, where "true" will write
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out the file and "false" will not.
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:cross_sections:
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Writes out an ASCII summary file of the cross sections that were read in.
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*Default*: false
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:summary:
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Writes out an HDF5 summary file describing all of the user input files that
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were read in.
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*Default*: true
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:tallies:
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Write out an ASCII file of tally results.
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*Default*: true
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.. note:: The tally results will always be written to a binary/HDF5 state
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point file.
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``<output_path>`` Element
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-------------------------
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The ``<output_path>`` element specifies an absolute or relative path where all
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output files should be written to. The specified path must exist or else OpenMC
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will abort.
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*Default*: Current working directory
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``<particles>`` Element
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-----------------------
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This element indicates the number of neutrons to simulate per fission source
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iteration when a k-eigenvalue calculation is performed or the number of neutrons
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per batch for a fixed source simulation.
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*Default*: None
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``<ptables>`` Element
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---------------------
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The ``<ptables>`` element determines whether probability tables should be used
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in the unresolved resonance range if available. This element has no attributes
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or sub-elements and can be set to either "false" or "true".
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*Default*: true
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.. note:: This element is not used in the multi-group :ref:`energy_mode`.
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``<resonance_scattering>`` Element
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----------------------------------
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The ``resonance_scattering`` element can contain one or more of the following
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attributes or sub-elements:
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:scatterer:
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An element with attributes/sub-elements called ``nuclide``, ``method``,
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``E_min``, and ``E_max``. The ``nuclide`` attribute is the name, as given
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by the ``name`` attribute within the ``nuclide`` sub-element of the
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``material`` element in ``materials.xml``, of the nuclide to which a
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resonance scattering treatment is to be applied.
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The ``method`` attribute gives the type of resonance scattering treatment
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that is to be applied to the ``nuclide``. Acceptable inputs - none of
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which are case-sensitive - for the ``method`` attribute are ``ARES``,
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``CXS``, ``WCM``, and ``DBRC``. Descriptions of each of these methods
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are documented here_. The ``E_min`` attribute gives the minimum energy
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above which the ``method`` is applied. The ``E_max`` attribute gives the
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maximum energy below which the ``method`` is applied. One example would
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be as follows:
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.. _here: http://dx.doi.org/10.1016/j.anucene.2014.01.017
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.. code-block:: xml
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<resonance_scattering>
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<scatterer>
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<nuclide>U-238</nuclide>
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<method>ARES</method>
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<E_min>5.0e-6</E_min>
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<E_max>40.0e-6</E_max>
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</scatterer>
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<scatterer>
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<nuclide>Pu-239</nuclide>
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<method>dbrc</method>
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<E_min>0.01e-6</E_min>
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<E_max>210.0e-6</E_max>
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</scatterer>
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</resonance_scattering>
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.. note:: If the ``resonance_scattering`` element is not given, the free gas,
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constant cross section (``cxs``) scattering model, which has
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historically been used by Monte Carlo codes to sample target
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velocities, is used to treat the target motion of all nuclides. If
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``resonance_scattering`` is present, the ``cxs`` method is applied
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below ``E_min`` and the target-at-rest (asymptotic) kernel is used
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above ``E_max``. An arbitrary number of ``scatterer`` elements may
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be specified, each corresponding to a single nuclide at a single
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temperature.
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*Defaults*: None (scatterer), ARES (method), 0.01 eV (E_min), 1.0 keV (E_max)
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.. note:: This element is not used in the multi-group :ref:`energy_mode`.
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``<run_cmfd>`` Element
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----------------------
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The ``<run_cmfd>`` element indicates whether or not CMFD acceleration should be
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turned on or off. This element has no attributes or sub-elements and can be set
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to either "false" or "true".
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*Default*: false
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``<run_mode>`` Element
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----------------------
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The ``<run_mode>`` element indicates which run mode should be used when OpenMC
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is executed. This element has no attributes or sub-elements and can be set to
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"eigenvalue", "fixed source", "plot", "volume", or "particle restart".
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*Default*: None
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``<seed>`` Element
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------------------
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The ``seed`` element is used to set the seed used for the linear congruential
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pseudo-random number generator.
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*Default*: 1
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``<source>`` Element
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--------------------
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The ``source`` element gives information on an external source distribution to
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be used either as the source for a fixed source calculation or the initial
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source guess for criticality calculations. Multiple ``<source>`` elements may be
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specified to define different source distributions. Each one takes the following
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attributes/sub-elements:
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:strength:
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The strength of the source. If multiple sources are present, the source
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strength indicates the relative probability of choosing one source over the
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other.
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*Default*: 1.0
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:file:
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If this attribute is given, it indicates that the source is to be read from
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a binary source file whose path is given by the value of this element. Note,
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the number of source sites needs to be the same as the number of particles
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simulated in a fission source generation.
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*Default*: None
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:space:
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An element specifying the spatial distribution of source sites. This element
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has the following attributes:
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:type:
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The type of spatial distribution. Valid options are "box", "fission",
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"point", and "cartesian". A "box" spatial distribution has coordinates
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sampled uniformly in a parallelepiped. A "fission" spatial distribution
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samples locations from a "box" distribution but only locations in
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fissionable materials are accepted. A "point" spatial distribution has
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coordinates specified by a triplet. An "cartesian" spatial distribution
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specifies independent distributions of x-, y-, and z-coordinates.
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*Default*: None
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:parameters:
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For a "box" or "fission" spatial distribution, ``parameters`` should be
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given as six real numbers, the first three of which specify the lower-left
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corner of a parallelepiped and the last three of which specify the
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upper-right corner. Source sites are sampled uniformly through that
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parallelepiped.
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For a "point" spatial distribution, ``parameters`` should be given as
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three real numbers which specify the (x,y,z) location of an isotropic
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point source.
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For an "cartesian" distribution, no parameters are specified. Instead,
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the ``x``, ``y``, and ``z`` elements must be specified.
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*Default*: None
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:x:
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For an "cartesian" distribution, this element specifies the distribution
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of x-coordinates. The necessary sub-elements/attributes are those of a
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univariate probability distribution (see the description in
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:ref:`univariate`).
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:y:
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For an "cartesian" distribution, this element specifies the distribution
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of y-coordinates. The necessary sub-elements/attributes are those of a
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univariate probability distribution (see the description in
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:ref:`univariate`).
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:z:
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For an "cartesian" distribution, this element specifies the distribution
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of z-coordinates. The necessary sub-elements/attributes are those of a
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univariate probability distribution (see the description in
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:ref:`univariate`).
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:angle:
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An element specifying the angular distribution of source sites. This element
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has the following attributes:
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:type:
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The type of angular distribution. Valid options are "isotropic",
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"monodirectional", and "mu-phi". The angle of the particle emitted from a
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source site is isotropic if the "isotropic" option is given. The angle of
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the particle emitted from a source site is the direction specified in the
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``reference_uvw`` element/attribute if "monodirectional" option is
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given. The "mu-phi" option produces directions with the cosine of the
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polar angle and the azimuthal angle explicitly specified.
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*Default*: isotropic
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:reference_uvw:
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The direction from which the polar angle is measured. Represented by the
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x-, y-, and z-components of a unit vector. For a monodirectional
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distribution, this defines the direction of all sampled particles.
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:mu:
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An element specifying the distribution of the cosine of the polar
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angle. Only relevant when the type is "mu-phi". The necessary
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sub-elements/attributes are those of a univariate probability distribution
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(see the description in :ref:`univariate`).
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:phi:
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An element specifying the distribution of the azimuthal angle. Only
|
|
relevant when the type is "mu-phi". The necessary sub-elements/attributes
|
|
are those of a univariate probability distribution (see the description in
|
|
:ref:`univariate`).
|
|
|
|
:energy:
|
|
An element specifying the energy distribution of source sites. The necessary
|
|
sub-elements/attributes are those of a univariate probability distribution
|
|
(see the description in :ref:`univariate`).
|
|
|
|
*Default*: Watt spectrum with :math:`a` = 0.988 MeV and :math:`b` =
|
|
2.249 MeV :sup:`-1`
|
|
|
|
:write_initial:
|
|
An element specifying whether to write out the initial source bank used at
|
|
the beginning of the first batch. The output file is named
|
|
"initial_source.h5"
|
|
|
|
*Default*: false
|
|
|
|
.. _univariate:
|
|
|
|
Univariate Probability Distributions
|
|
++++++++++++++++++++++++++++++++++++
|
|
|
|
Various components of a source distribution involve probability distributions of
|
|
a single random variable, e.g. the distribution of the energy, the distribution
|
|
of the polar angle, and the distribution of x-coordinates. Each of these
|
|
components supports the same syntax with an element whose tag signifies the
|
|
variable and whose sub-elements/attributes are as follows:
|
|
|
|
:type:
|
|
The type of the distribution. Valid options are "uniform", "discrete",
|
|
"tabular", "maxwell", and "watt". The "uniform" option produces variates
|
|
sampled from a uniform distribution over a finite interval. The "discrete"
|
|
option produces random variates that can assume a finite number of values
|
|
(i.e., a distribution characterized by a probability mass function). The
|
|
"tabular" option produces random variates sampled from a tabulated
|
|
distribution where the density function is either a histogram or
|
|
linearly-interpolated between tabulated points. The "watt" option produces
|
|
random variates is sampled from a Watt fission spectrum (only used for
|
|
energies). The "maxwell" option produce variates sampled from a Maxwell
|
|
fission spectrum (only used for energies).
|
|
|
|
*Default*: None
|
|
|
|
:parameters:
|
|
For a "uniform" distribution, ``parameters`` should be given as two real
|
|
numbers :math:`a` and :math:`b` that define the interval :math:`[a,b]` over
|
|
which random variates are sampled.
|
|
|
|
For a "discrete" or "tabular" distribution, ``parameters`` provides the
|
|
:math:`(x,p)` pairs defining the discrete/tabular distribution. All :math:`x`
|
|
points are given first followed by corresponding :math:`p` points.
|
|
|
|
For a "watt" distribution, ``parameters`` should be given as two real numbers
|
|
:math:`a` and :math:`b` that parameterize the distribution :math:`p(x) dx = c
|
|
e^{-x/a} \sinh \sqrt{b \, x} dx`.
|
|
|
|
For a "maxwell" distribution, ``parameters`` should be given as one real
|
|
number :math:`a` that parameterizes the distribution :math:`p(x) dx = c x
|
|
e^{-x/a} dx`.
|
|
|
|
.. note:: The above format should be used even when using the multi-group
|
|
:ref:`energy_mode`.
|
|
:interpolation:
|
|
For a "tabular" distribution, ``interpolation`` can be set to "histogram" or
|
|
"linear-linear" thereby specifying how tabular points are to be interpolated.
|
|
|
|
*Default*: histogram
|
|
|
|
``<state_point>`` Element
|
|
-------------------------
|
|
|
|
The ``<state_point>`` element indicates at what batches a state point file
|
|
should be written. A state point file can be used to restart a run or to get
|
|
tally results at any batch. The default behavior when using this tag is to
|
|
write out the source bank in the state_point file. This behavior can be
|
|
customized by using the ``<source_point>`` element. This element has the
|
|
following attributes/sub-elements:
|
|
|
|
:batches:
|
|
A list of integers separated by spaces indicating at what batches a state
|
|
point file should be written.
|
|
|
|
*Default*: Last batch only
|
|
|
|
``<source_point>`` Element
|
|
--------------------------
|
|
|
|
The ``<source_point>`` element indicates at what batches the source bank
|
|
should be written. The source bank can be either written out within a state
|
|
point file or separately in a source point file. This element has the following
|
|
attributes/sub-elements:
|
|
|
|
:batches:
|
|
A list of integers separated by spaces indicating at what batches a state
|
|
point file should be written. It should be noted that if the ``separate``
|
|
attribute is not set to "true", this list must be a subset of state point
|
|
batches.
|
|
|
|
*Default*: Last batch only
|
|
|
|
:separate:
|
|
If this element is set to "true", a separate binary source point file will
|
|
be written. Otherwise, the source sites will be written in the state point
|
|
directly.
|
|
|
|
*Default*: false
|
|
|
|
:write:
|
|
If this element is set to "false", source sites are not written
|
|
to the state point or source point file. This can substantially reduce the
|
|
size of state points if large numbers of particles per batch are used.
|
|
|
|
*Default*: true
|
|
|
|
:overwrite_latest:
|
|
If this element is set to "true", a source point file containing
|
|
the source bank will be written out to a separate file named
|
|
``source.binary`` or ``source.h5`` depending on if HDF5 is enabled.
|
|
This file will be overwritten at every single batch so that the latest
|
|
source bank will be available. It should be noted that a user can set both
|
|
this element to "true" and specify batches to write a permanent source bank.
|
|
|
|
*Default*: false
|
|
|
|
``<survival_biasing>`` Element
|
|
------------------------------
|
|
|
|
The ``<survival_biasing>`` element has no attributes and has an accepted value
|
|
of "true" or "false". If set to "true", this option will enable the use of
|
|
survival biasing, otherwise known as implicit capture or absorption.
|
|
|
|
*Default*: false
|
|
|
|
.. _tabular_legendre:
|
|
|
|
``<tabular_legendre>`` Element
|
|
---------------------------------
|
|
|
|
The optional ``<tabular_legendre>`` element specifies how the multi-group
|
|
Legendre scattering kernel is represented if encountered in a multi-group
|
|
problem. Specifically, the options are to either convert the Legendre
|
|
expansion to a tabular representation or leave it as a set of Legendre
|
|
coefficients. Converting to a tabular representation will cost memory but can
|
|
allow for a decrease in runtime compared to leaving as a set of Legendre
|
|
coefficients. This element has the following attributes/sub-elements:
|
|
|
|
:enable:
|
|
This attribute/sub-element denotes whether or not the conversion of a
|
|
Legendre scattering expansion to the tabular format should be performed or
|
|
not. A value of “true” means the conversion should be performed, “false”
|
|
means it will not.
|
|
|
|
*Default*: true
|
|
|
|
:num_points:
|
|
If the conversion is to take place the number of tabular points is
|
|
required. This attribute/sub-element allows the user to set the desired
|
|
number of points.
|
|
|
|
*Default*: 33
|
|
|
|
.. note:: This element is only used in the multi-group :ref:`energy_mode`.
|
|
|
|
.. _temperature_default:
|
|
|
|
``<temperature_default>`` Element
|
|
---------------------------------
|
|
|
|
The ``<temperature_default>`` element specifies a default temperature in Kelvin
|
|
that is to be applied to cells in the absence of an explicit cell temperature or
|
|
a material default temperature.
|
|
|
|
*Default*: 293.6 K
|
|
|
|
.. _temperature_method:
|
|
|
|
``<temperature_method>`` Element
|
|
--------------------------------
|
|
|
|
The ``<temperature_method>`` element has an accepted value of "nearest" or
|
|
"interpolation". A value of "nearest" indicates that for each
|
|
cell, the nearest temperature at which cross sections are given is to be
|
|
applied, within a given tolerance (see :ref:`temperature_tolerance`). A value of
|
|
"interpolation" indicates that cross sections are to be linear-linear
|
|
interpolated between temperatures at which nuclear data are present (see
|
|
:ref:`temperature_treatment`).
|
|
|
|
*Default*: "nearest"
|
|
|
|
.. _temperature_multipole:
|
|
|
|
``<temperature_multipole>`` Element
|
|
-----------------------------------
|
|
|
|
The ``<temperature_multipole>`` element toggles the windowed multipole
|
|
capability on or off. If this element is set to "True" and the relevant data is
|
|
available, OpenMC will use the windowed multipole method to evaluate and Doppler
|
|
broaden cross sections in the resolved resonance range. This override other
|
|
methods like "nearest" and "interpolation" in the resolved resonance range.
|
|
|
|
*Default*: False
|
|
|
|
.. _temperature_tolerance:
|
|
|
|
``<temperature_tolerance>`` Element
|
|
-----------------------------------
|
|
|
|
The ``<temperature_tolerance>`` element specifies a tolerance in Kelvin that is
|
|
to be applied when the "nearest" temperature method is used. For example, if a
|
|
cell temperature is 340 K and the tolerance is 15 K, then the closest
|
|
temperature in the range of 325 K to 355 K will be used to evaluate cross
|
|
sections.
|
|
|
|
*Default*: 10 K
|
|
|
|
``<threads>`` Element
|
|
---------------------
|
|
|
|
The ``<threads>`` element indicates the number of OpenMP threads to be used for
|
|
a simulation. It has no attributes and accepts a positive integer value.
|
|
|
|
*Default*: None (Determined by environment variable :envvar:`OMP_NUM_THREADS`)
|
|
|
|
.. _trace:
|
|
|
|
``<trace>`` Element
|
|
-------------------
|
|
|
|
The ``<trace>`` element can be used to print out detailed information about a
|
|
single particle during a simulation. This element should be followed by three
|
|
integers: the batch number, generation number, and particle number.
|
|
|
|
*Default*: None
|
|
|
|
.. _track:
|
|
|
|
``<track>`` Element
|
|
-------------------
|
|
|
|
The ``<track>`` element specifies particles for which OpenMC will output binary
|
|
files describing particle position at every step of its transport. This element
|
|
should be followed by triplets of integers. Each triplet describes one
|
|
particle. The integers in each triplet specify the batch number, generation
|
|
number, and particle number, respectively.
|
|
|
|
*Default*: None
|
|
|
|
.. _trigger:
|
|
|
|
``<trigger>`` Element
|
|
-------------------------
|
|
|
|
OpenMC includes tally precision triggers which allow the user to define
|
|
uncertainty thresholds on :math:`k_{eff}` in the ``<keff_trigger>`` subelement
|
|
of ``settings.xml``, and/or tallies in ``tallies.xml``. When using triggers,
|
|
OpenMC will run until it completes as many batches as defined by ``<batches>``.
|
|
At this point, the uncertainties on all tallied values are computed and compared
|
|
with their corresponding trigger thresholds. If any triggers have not been met,
|
|
OpenMC will continue until either all trigger thresholds have been satisfied or
|
|
``<max_batches>`` has been reached.
|
|
|
|
The ``<trigger>`` element provides an active "toggle switch" for tally
|
|
precision trigger(s), the maximum number of batches and the batch interval. It
|
|
has the following attributes/sub-elements:
|
|
|
|
:active:
|
|
This determines whether or not to use trigger(s). Trigger(s) are used when
|
|
this tag is set to "true".
|
|
|
|
:max_batches:
|
|
This describes the maximum number of batches allowed when using trigger(s).
|
|
|
|
.. note:: When max_batches is set, the number of ``batches`` shown in the
|
|
``<batches>`` element represents minimum number of batches to
|
|
simulate when using the trigger(s).
|
|
|
|
:batch_interval:
|
|
This tag describes the number of batches in between convergence checks.
|
|
OpenMC will check if the trigger has been reached at each batch defined
|
|
by ``batch_interval`` after the minimum number of batches is reached.
|
|
|
|
.. note:: If this tag is not present, the ``batch_interval`` is predicted
|
|
dynamically by OpenMC for each convergence check. The predictive
|
|
model assumes no correlation between fission sources
|
|
distributions from batch-to-batch. This assumption is reasonable
|
|
for fixed source and small criticality calculations, but is very
|
|
optimistic for highly coupled full-core reactor problems.
|
|
|
|
|
|
``<uniform_fs>`` Element
|
|
------------------------
|
|
|
|
The ``<uniform_fs>`` element describes a mesh that is used for re-weighting
|
|
source sites at every generation based on the uniform fission site methodology
|
|
described in Kelly et al., "MC21 Analysis of the Nuclear Energy Agency Monte
|
|
Carlo Performance Benchmark Problem," Proceedings of *Physor 2012*, Knoxville,
|
|
TN (2012). This mesh should cover all possible fissionable materials in the
|
|
problem. It has the following attributes/sub-elements:
|
|
|
|
:dimension:
|
|
The number of mesh cells in the x, y, and z directions, respectively.
|
|
|
|
*Default*: None
|
|
|
|
:lower_left:
|
|
The Cartesian coordinates of the lower-left corner of the mesh.
|
|
|
|
*Default*: None
|
|
|
|
:upper_right:
|
|
The Cartesian coordinates of the upper-right corner of the mesh.
|
|
|
|
*Default*: None
|
|
|
|
.. _verbosity:
|
|
|
|
``<verbosity>`` Element
|
|
-----------------------
|
|
|
|
The ``<verbosity>`` element tells the code how much information to display to
|
|
the standard output. A higher verbosity corresponds to more information being
|
|
displayed. The text of this element should be an integer between between 1
|
|
and 10. The verbosity levels are defined as follows:
|
|
|
|
:1: don't display any output
|
|
:2: only show OpenMC logo
|
|
:3: all of the above + headers
|
|
:4: all of the above + results
|
|
:5: all of the above + file I/O
|
|
:6: all of the above + timing statistics and initialization messages
|
|
:7: all of the above + :math:`k` by generation
|
|
:9: all of the above + indicate when each particle starts
|
|
:10: all of the above + event information
|
|
|
|
*Default*: 7
|
|
|
|
``<create_fission_neutrons>`` Element
|
|
-------------------------------------
|
|
|
|
The ``<create_fission_neutrons>`` element indicates whether fission neutrons
|
|
should be created or not. If this element is set to "true", fission neutrons
|
|
will be created; otherwise the fission is treated as capture and no fission
|
|
neutron will be created. Note that this option is only applied to fixed source
|
|
calculation. For eigenvalue calculation, fission will always be treated as real
|
|
fission.
|
|
|
|
*Default*: true
|
|
|
|
|
|
``<volume_calc>`` Element
|
|
-------------------------
|
|
|
|
The ``<volume_calc>`` element indicates that a stochastic volume calculation
|
|
should be run at the beginning of the simulation. This element has the following
|
|
sub-elements/attributes:
|
|
|
|
:cells:
|
|
The unique IDs of cells for which the volume should be estimated.
|
|
|
|
*Default*: None
|
|
|
|
:samples:
|
|
The number of samples used to estimate volumes.
|
|
|
|
*Default*: None
|
|
|
|
:lower_left:
|
|
The lower-left Cartesian coordinates of a bounding box that is used to
|
|
sample points within.
|
|
|
|
*Default*: None
|
|
|
|
:upper_right:
|
|
The upper-right Cartesian coordinates of a bounding box that is used to
|
|
sample points within.
|
|
|
|
*Default*: None
|
|
|
|
--------------------------------------
|
|
Geometry Specification -- geometry.xml
|
|
--------------------------------------
|
|
|
|
The geometry in OpenMC is described using `constructive solid geometry`_ (CSG),
|
|
also sometimes referred to as combinatorial geometry. CSG allows a user to
|
|
create complex objects using Boolean operators on a set of simpler surfaces. In
|
|
the geometry model, each unique volume is defined by its bounding surfaces. In
|
|
OpenMC, most `quadratic surfaces`_ can be modeled and used as bounding surfaces.
|
|
|
|
Every geometry.xml must have an XML declaration at the beginning of the file and
|
|
a root element named geometry. Within the root element the user can define any
|
|
number of cells, surfaces, and lattices. Let us look at the following example:
|
|
|
|
.. code-block:: xml
|
|
|
|
<?xml version="1.0"?>
|
|
<geometry>
|
|
<!-- This is a comment -->
|
|
|
|
<surface>
|
|
<id>1</id>
|
|
<type>sphere</type>
|
|
<coeffs>0.0 0.0 0.0 5.0</coeffs>
|
|
<boundary>vacuum</boundary>
|
|
<surface>
|
|
|
|
<cell>
|
|
<id>1</id>
|
|
<universe>0</universe>
|
|
<material>1</material>
|
|
<region>-1</region>
|
|
</cell>
|
|
</geometry>
|
|
|
|
At the beginning of this file is a comment, denoted by a tag starting with
|
|
``<!--`` and ending with ``-->``. Comments, as well as any other type of input,
|
|
may span multiple lines. One convenient feature of the XML input format is that
|
|
sub-elements of the ``cell`` and ``surface`` elements can also be equivalently
|
|
expressed of attributes of the original element, e.g. the geometry file above
|
|
could be written as:
|
|
|
|
.. code-block:: xml
|
|
|
|
<?xml version="1.0"?>
|
|
<geometry>
|
|
<!-- This is a comment -->
|
|
|
|
<surface id="1" type="sphere" coeffs="0.0 0.0 0.0 5.0" boundary="vacuum" />
|
|
<cell id="1" universe="0" material="1" region="-1" />
|
|
|
|
</geometry>
|
|
|
|
.. _surface_element:
|
|
|
|
``<surface>`` Element
|
|
---------------------
|
|
|
|
Each ``<surface>`` element can have the following attributes or sub-elements:
|
|
|
|
:id:
|
|
A unique integer that can be used to identify the surface.
|
|
|
|
*Default*: None
|
|
|
|
:name:
|
|
An optional string name to identify the surface in summary output
|
|
files. This string is limited to 52 characters for formatting purposes.
|
|
|
|
*Default*: ""
|
|
|
|
:type:
|
|
The type of the surfaces. This can be "x-plane", "y-plane", "z-plane",
|
|
"plane", "x-cylinder", "y-cylinder", "z-cylinder", "sphere", "x-cone",
|
|
"y-cone", "z-cone", or "quadric".
|
|
|
|
*Default*: None
|
|
|
|
:coeffs:
|
|
The corresponding coefficients for the given type of surface. See below for
|
|
a list a what coefficients to specify for a given surface
|
|
|
|
*Default*: None
|
|
|
|
:boundary:
|
|
The boundary condition for the surface. This can be "transmission",
|
|
"vacuum", "reflective", or "periodic". Periodic boundary conditions can
|
|
only be applied to x-, y-, and z-planes. Only axis-aligned periodicity is
|
|
supported, i.e., x-planes can only be paired with x-planes. Specify which
|
|
planes are periodic and the code will automatically identify which planes
|
|
are paired together.
|
|
|
|
*Default*: "transmission"
|
|
|
|
:periodic_surface_id:
|
|
If a periodic boundary condition is applied, this attribute identifies the
|
|
``id`` of the corresponding periodic sufrace.
|
|
|
|
The following quadratic surfaces can be modeled:
|
|
|
|
:x-plane:
|
|
A plane perpendicular to the x axis, i.e. a surface of the form :math:`x -
|
|
x_0 = 0`. The coefficients specified are ":math:`x_0`".
|
|
|
|
:y-plane:
|
|
A plane perpendicular to the y axis, i.e. a surface of the form :math:`y -
|
|
y_0 = 0`. The coefficients specified are ":math:`y_0`".
|
|
|
|
:z-plane:
|
|
A plane perpendicular to the z axis, i.e. a surface of the form :math:`z -
|
|
z_0 = 0`. The coefficients specified are ":math:`z_0`".
|
|
|
|
:plane:
|
|
An arbitrary plane of the form :math:`Ax + By + Cz = D`. The coefficients
|
|
specified are ":math:`A \: B \: C \: D`".
|
|
|
|
:x-cylinder:
|
|
An infinite cylinder whose length is parallel to the x-axis. This is a
|
|
quadratic surface of the form :math:`(y - y_0)^2 + (z - z_0)^2 = R^2`. The
|
|
coefficients specified are ":math:`y_0 \: z_0 \: R`".
|
|
|
|
:y-cylinder:
|
|
An infinite cylinder whose length is parallel to the y-axis. This is a
|
|
quadratic surface of the form :math:`(x - x_0)^2 + (z - z_0)^2 = R^2`. The
|
|
coefficients specified are ":math:`x_0 \: z_0 \: R`".
|
|
|
|
:z-cylinder:
|
|
An infinite cylinder whose length is parallel to the z-axis. This is a
|
|
quadratic surface of the form :math:`(x - x_0)^2 + (y - y_0)^2 = R^2`. The
|
|
coefficients specified are ":math:`x_0 \: y_0 \: R`".
|
|
|
|
:sphere:
|
|
A sphere of the form :math:`(x - x_0)^2 + (y - y_0)^2 + (z - z_0)^2 =
|
|
R^2`. The coefficients specified are ":math:`x_0 \: y_0 \: z_0 \: R`".
|
|
|
|
:x-cone:
|
|
A cone parallel to the x-axis of the form :math:`(y - y_0)^2 + (z - z_0)^2 =
|
|
R^2 (x - x_0)^2`. The coefficients specified are ":math:`x_0 \: y_0 \: z_0
|
|
\: R^2`".
|
|
|
|
:y-cone:
|
|
A cone parallel to the y-axis of the form :math:`(x - x_0)^2 + (z - z_0)^2 =
|
|
R^2 (y - y_0)^2`. The coefficients specified are ":math:`x_0 \: y_0 \: z_0
|
|
\: R^2`".
|
|
|
|
:z-cone:
|
|
A cone parallel to the x-axis of the form :math:`(x - x_0)^2 + (y - y_0)^2 =
|
|
R^2 (z - z_0)^2`. The coefficients specified are ":math:`x_0 \: y_0 \: z_0
|
|
\: R^2`".
|
|
|
|
:quadric:
|
|
A general quadric surface of the form :math:`Ax^2 + By^2 + Cz^2 + Dxy +
|
|
Eyz + Fxz + Gx + Hy + Jz + K = 0` The coefficients specified are ":math:`A
|
|
\: B \: C \: D \: E \: F \: G \: H \: J \: K`".
|
|
|
|
|
|
``<cell>`` Element
|
|
------------------
|
|
|
|
Each ``<cell>`` element can have the following attributes or sub-elements:
|
|
|
|
:id:
|
|
A unique integer that can be used to identify the cell.
|
|
|
|
*Default*: None
|
|
|
|
:name:
|
|
An optional string name to identify the cell in summary output files.
|
|
This string is limmited to 52 characters for formatting purposes.
|
|
|
|
*Default*: ""
|
|
|
|
:universe:
|
|
The ``id`` of the universe that this cell is contained in.
|
|
|
|
*Default*: 0
|
|
|
|
:fill:
|
|
The ``id`` of the universe that fills this cell.
|
|
|
|
.. note:: If a fill is specified, no material should be given.
|
|
|
|
*Default*: None
|
|
|
|
:material:
|
|
The ``id`` of the material that this cell contains. If the cell should
|
|
contain no material, this can also be set to "void". A list of materials
|
|
can be specified for the "distributed material" feature. This will give each
|
|
unique instance of the cell its own material.
|
|
|
|
.. note:: If a material is specified, no fill should be given.
|
|
|
|
*Default*: None
|
|
|
|
:region:
|
|
A Boolean expression of half-spaces that defines the spatial region which
|
|
the cell occupies. Each half-space is identified by the unique ID of the
|
|
surface prefixed by `-` or `+` to indicate that it is the negative or
|
|
positive half-space, respectively. The `+` sign for a positive half-space
|
|
can be omitted. Valid Boolean operators are parentheses, union `|`,
|
|
complement `~`, and intersection. Intersection is implicit and indicated by
|
|
the presence of whitespace. The order of operator precedence is parentheses,
|
|
complement, intersection, and then union.
|
|
|
|
As an example, the following code gives a cell that is the union of the
|
|
negative half-space of surface 3 and the complement of the intersection of
|
|
the positive half-space of surface 5 and the negative half-space of surface
|
|
2:
|
|
|
|
.. code-block:: xml
|
|
|
|
<cell id="1" material="1" region="-3 | ~(5 -2)" />
|
|
|
|
.. note:: The ``region`` attribute/element can be omitted to make a cell
|
|
fill its entire universe.
|
|
|
|
*Default*: A region filling all space.
|
|
|
|
:temperature:
|
|
The temperature of the cell in Kelvin. If windowed-multipole data is
|
|
avalable, this temperature will be used to Doppler broaden some cross
|
|
sections in the resolved resonance region. A list of temperatures can be
|
|
specified for the "distributed temperature" feature. This will give each
|
|
unique instance of the cell its own temperature.
|
|
|
|
*Default*: If a material default temperature is supplied, it is used. In the
|
|
absence of a material default temperature, the :ref:`global default
|
|
temperature <temperature_default>` is used.
|
|
|
|
:rotation:
|
|
If the cell is filled with a universe, this element specifies the angles in
|
|
degrees about the x, y, and z axes that the filled universe should be
|
|
rotated. Should be given as three real numbers. For example, if you wanted
|
|
to rotate the filled universe by 90 degrees about the z-axis, the cell
|
|
element would look something like:
|
|
|
|
.. code-block:: xml
|
|
|
|
<cell fill="..." rotation="0 0 90" />
|
|
|
|
The rotation applied is an intrinsic rotation whose Tait-Bryan angles are
|
|
given as those specified about the x, y, and z axes respectively. That is to
|
|
say, if the angles are :math:`(\phi, \theta, \psi)`, then the rotation
|
|
matrix applied is :math:`R_z(\psi) R_y(\theta) R_x(\phi)` or
|
|
|
|
.. math::
|
|
|
|
\left [ \begin{array}{ccc} \cos\theta \cos\psi & -\cos\theta \sin\psi +
|
|
\sin\phi \sin\theta \cos\psi & \sin\phi \sin\psi + \cos\phi \sin\theta
|
|
\cos\psi \\ \cos\theta \sin\psi & \cos\phi \cos\psi + \sin\phi \sin\theta
|
|
\sin\psi & -\sin\phi \cos\psi + \cos\phi \sin\theta \sin\psi \\
|
|
-\sin\theta & \sin\phi \cos\theta & \cos\phi \cos\theta \end{array}
|
|
\right ]
|
|
|
|
*Default*: None
|
|
|
|
:translation:
|
|
If the cell is filled with a universe, this element specifies a vector that
|
|
is used to translate (shift) the universe. Should be given as three real
|
|
numbers.
|
|
|
|
.. note:: Any translation operation is applied after a rotation, if also
|
|
specified.
|
|
|
|
*Default*: None
|
|
|
|
|
|
``<lattice>`` Element
|
|
---------------------
|
|
|
|
The ``<lattice>`` can be used to represent repeating structures (e.g. fuel pins
|
|
in an assembly) or other geometry which fits onto a rectilinear grid. Each cell
|
|
within the lattice is filled with a specified universe. A ``<lattice>`` accepts
|
|
the following attributes or sub-elements:
|
|
|
|
:id:
|
|
A unique integer that can be used to identify the lattice.
|
|
|
|
:name:
|
|
An optional string name to identify the lattice in summary output
|
|
files. This string is limited to 52 characters for formatting purposes.
|
|
|
|
*Default*: ""
|
|
|
|
:dimension:
|
|
Two or three integers representing the number of lattice cells in the x- and
|
|
y- (and z-) directions, respectively.
|
|
|
|
*Default*: None
|
|
|
|
:lower_left:
|
|
The coordinates of the lower-left corner of the lattice. If the lattice is
|
|
two-dimensional, only the x- and y-coordinates are specified.
|
|
|
|
*Default*: None
|
|
|
|
:pitch:
|
|
If the lattice is 3D, then three real numbers that express the distance
|
|
between the centers of lattice cells in the x-, y-, and z- directions. If
|
|
the lattice is 2D, then omit the third value.
|
|
|
|
*Default*: None
|
|
|
|
:outer:
|
|
The unique integer identifier of a universe that will be used to fill all
|
|
space outside of the lattice. The universe will be tiled repeatedly as if
|
|
it were placed in a lattice of infinite size. This element is optional.
|
|
|
|
*Default*: An error will be raised if a particle leaves a lattice with no
|
|
outer universe.
|
|
|
|
:universes:
|
|
A list of the universe numbers that fill each cell of the lattice.
|
|
|
|
*Default*: None
|
|
|
|
Here is an example of a properly defined 2d rectangular lattice:
|
|
|
|
.. code-block:: xml
|
|
|
|
<lattice id="10" dimension="3 3" outer="1">
|
|
<lower_left> -1.5 -1.5 </lower_left>
|
|
<pitch> 1.0 1.0 </pitch>
|
|
<universes>
|
|
2 2 2
|
|
2 1 2
|
|
2 2 2
|
|
</universes>
|
|
</lattice>
|
|
|
|
``<hex_lattice>`` Element
|
|
-------------------------
|
|
|
|
The ``<hex_lattice>`` can be used to represent repeating structures (e.g. fuel
|
|
pins in an assembly) or other geometry which naturally fits onto a hexagonal
|
|
grid or hexagonal prism grid. Each cell within the lattice is filled with a
|
|
specified universe. This lattice uses the "flat-topped hexagon" scheme where two
|
|
of the six edges are perpendicular to the y-axis. A ``<hex_lattice>`` accepts
|
|
the following attributes or sub-elements:
|
|
|
|
:id:
|
|
A unique integer that can be used to identify the lattice.
|
|
|
|
:name:
|
|
An optional string name to identify the hex_lattice in summary output
|
|
files. This string is limited to 52 characters for formatting purposes.
|
|
|
|
*Default*: ""
|
|
|
|
:n_rings:
|
|
An integer representing the number of radial ring positions in the xy-plane.
|
|
Note that this number includes the degenerate center ring which only has one
|
|
element.
|
|
|
|
*Default*: None
|
|
|
|
:n_axial:
|
|
An integer representing the number of positions along the z-axis. This
|
|
element is optional.
|
|
|
|
*Default*: None
|
|
|
|
:center:
|
|
The coordinates of the center of the lattice. If the lattice does not have
|
|
axial sections then only the x- and y-coordinates are specified.
|
|
|
|
*Default*: None
|
|
|
|
:pitch:
|
|
If the lattice is 3D, then two real numbers that express the distance
|
|
between the centers of lattice cells in the xy-plane and along the z-axis,
|
|
respectively. If the lattice is 2D, then omit the second value.
|
|
|
|
*Default*: None
|
|
|
|
:outer:
|
|
The unique integer identifier of a universe that will be used to fill all
|
|
space outside of the lattice. The universe will be tiled repeatedly as if
|
|
it were placed in a lattice of infinite size. This element is optional.
|
|
|
|
*Default*: An error will be raised if a particle leaves a lattice with no
|
|
outer universe.
|
|
|
|
:universes:
|
|
A list of the universe numbers that fill each cell of the lattice.
|
|
|
|
*Default*: None
|
|
|
|
Here is an example of a properly defined 2d hexagonal lattice:
|
|
|
|
.. code-block:: xml
|
|
|
|
<hex_lattice id="10" n_rings="3" outer="1">
|
|
<center> 0.0 0.0 </center>
|
|
<pitch> 1.0 </pitch>
|
|
<universes>
|
|
202
|
|
202 202
|
|
202 202 202
|
|
202 202
|
|
202 101 202
|
|
202 202
|
|
202 202 202
|
|
202 202
|
|
202
|
|
</universes>
|
|
</hex_lattice>
|
|
|
|
.. _constructive solid geometry: http://en.wikipedia.org/wiki/Constructive_solid_geometry
|
|
|
|
.. _quadratic surfaces: http://en.wikipedia.org/wiki/Quadric
|
|
|
|
----------------------------------------
|
|
Materials Specification -- materials.xml
|
|
----------------------------------------
|
|
|
|
.. _cross_sections:
|
|
|
|
``<cross_sections>`` Element
|
|
----------------------------
|
|
|
|
The ``<cross_sections>`` element has no attributes and simply indicates the path
|
|
to an XML cross section listing file (usually named cross_sections.xml). If this
|
|
element is absent from the settings.xml file, the
|
|
:envvar:`OPENMC_CROSS_SECTIONS` environment variable will be used to find the
|
|
path to the XML cross section listing when in continuous-energy mode, and the
|
|
:envvar:`OPENMC_MG_CROSS_SECTIONS` environment variable will be used in
|
|
multi-group mode.
|
|
|
|
.. _multipole_library:
|
|
|
|
``<multipole_library>`` Element
|
|
-------------------------------
|
|
|
|
The ``<multipole_library>`` element indicates the directory containing a
|
|
windowed multipole library. If a windowed multipole library is available,
|
|
OpenMC can use it for on-the-fly Doppler-broadening of resolved resonance range
|
|
cross sections. If this element is absent from the settings.xml file, the
|
|
:envvar:`OPENMC_MULTIPOLE_LIBRARY` environment variable will be used.
|
|
|
|
.. note:: The <temperature_multipole> element must also be set to "true" for
|
|
windowed multipole functionality.
|
|
|
|
.. _material:
|
|
|
|
``<material>`` Element
|
|
----------------------
|
|
|
|
Each ``material`` element can have the following attributes or sub-elements:
|
|
|
|
:id:
|
|
A unique integer that can be used to identify the material.
|
|
|
|
:name:
|
|
An optional string name to identify the material in summary output
|
|
files. This string is limited to 52 characters for formatting purposes.
|
|
|
|
*Default*: ""
|
|
|
|
:temperature:
|
|
An element with no attributes which is used to set the default temperature
|
|
of the material in Kelvin.
|
|
|
|
*Default*: If a material default temperature is not given and a cell
|
|
temperature is not specified, the :ref:`global default temperature
|
|
<temperature_default>` is used.
|
|
|
|
:density:
|
|
An element with attributes/sub-elements called ``value`` and ``units``. The
|
|
``value`` attribute is the numeric value of the density while the ``units``
|
|
can be "g/cm3", "kg/m3", "atom/b-cm", "atom/cm3", or "sum". The "sum" unit
|
|
indicates that values appearing in ``ao`` or ``wo`` attributes for ``<nuclide>``
|
|
and ``<element>`` sub-elements are to be interpreted as absolute nuclide/element
|
|
densities in atom/b-cm or g/cm3, and the total density of the material is
|
|
taken as the sum of all nuclides/elements. The "macro" unit is used with
|
|
a ``macroscopic`` quantity to indicate that the density is already included
|
|
in the library and thus not needed here. However, if a value is provided
|
|
for the ``value``, then this is treated as a number density multiplier on
|
|
the macroscopic cross sections in the multi-group data. This can be used,
|
|
for example, when perturbing the density slightly.
|
|
|
|
*Default*: None
|
|
|
|
.. note:: A ``macroscopic`` quantity can not be used in conjunction with a
|
|
``nuclide``, ``element``, or ``sab`` quantity.
|
|
|
|
:nuclide:
|
|
An element with attributes/sub-elements called ``name``, and ``ao``
|
|
or ``wo``. The ``name`` attribute is the name of the cross-section for a
|
|
desired nuclide. Finally, the ``ao`` and ``wo`` attributes specify the atom or
|
|
weight percent of that nuclide within the material, respectively. One
|
|
example would be as follows:
|
|
|
|
.. code-block:: xml
|
|
|
|
<nuclide name="H1" ao="2.0" />
|
|
<nuclide name="O16" ao="1.0" />
|
|
|
|
.. note:: If one nuclide is specified in atom percent, all others must also
|
|
be given in atom percent. The same applies for weight percentages.
|
|
|
|
An optional attribute/sub-element for each nuclide is ``scattering``. This
|
|
attribute may be set to "data" to use the scattering laws specified by the
|
|
cross section library (default). Alternatively, when set to "iso-in-lab",
|
|
the scattering laws are used to sample the outgoing energy but an
|
|
isotropic-in-lab distribution is used to sample the outgoing angle at each
|
|
scattering interaction. The ``scattering`` attribute may be most useful
|
|
when using OpenMC to compute multi-group cross-sections for deterministic
|
|
transport codes and to quantify the effects of anisotropic scattering.
|
|
|
|
*Default*: None
|
|
|
|
.. note:: The ``scattering`` attribute/sub-element is not used in the
|
|
multi-group :ref:`energy_mode`.
|
|
|
|
:sab:
|
|
Associates an S(a,b) table with the material. This element has one
|
|
attribute/sub-element called ``name``. The ``name`` attribute
|
|
is the name of the S(a,b) table that should be associated with the material.
|
|
|
|
*Default*: None
|
|
|
|
.. note:: This element is not used in the multi-group :ref:`energy_mode`.
|
|
|
|
:macroscopic:
|
|
The ``macroscopic`` element is similar to the ``nuclide`` element, but,
|
|
recognizes that some multi-group libraries may be providing material
|
|
specific macroscopic cross sections instead of always providing nuclide
|
|
specific data like in the continuous-energy case. To that end, the
|
|
macroscopic element has one attribute/sub-element called ``name``.
|
|
The ``name`` attribute is the name of the cross-section for a
|
|
desired nuclide. One example would be as follows:
|
|
|
|
.. code-block:: xml
|
|
|
|
<macroscopic name="UO2" />
|
|
|
|
.. note:: This element is only used in the multi-group :ref:`energy_mode`.
|
|
|
|
*Default*: None
|
|
|
|
------------------------------------
|
|
Tallies Specification -- tallies.xml
|
|
------------------------------------
|
|
|
|
The tallies.xml file allows the user to tell the code what results he/she is
|
|
interested in, e.g. the fission rate in a given cell or the current across a
|
|
given surface. There are two pieces of information that determine what
|
|
quantities should be scored. First, one needs to specify what region of phase
|
|
space should count towards the tally and secondly, the actual quantity to be
|
|
scored also needs to be specified. The first set of parameters we call *filters*
|
|
since they effectively serve to filter events, allowing some to score and
|
|
preventing others from scoring to the tally.
|
|
|
|
The structure of tallies in OpenMC is flexible in that any combination of
|
|
filters can be used for a tally. The following types of filter are available:
|
|
cell, universe, material, surface, birth region, pre-collision energy,
|
|
post-collision energy, and an arbitrary structured mesh.
|
|
|
|
The three valid elements in the tallies.xml file are ``<tally>``, ``<mesh>``,
|
|
and ``<assume_separate>``.
|
|
|
|
.. _tally:
|
|
|
|
``<tally>`` Element
|
|
-------------------
|
|
|
|
The ``<tally>`` element accepts the following sub-elements:
|
|
|
|
:name:
|
|
An optional string name to identify the tally in summary output
|
|
files. This string is limited to 52 characters for formatting purposes.
|
|
|
|
*Default*: ""
|
|
|
|
:filter:
|
|
Specify a filter that modifies tally behavior. Most tallies (e.g. ``cell``,
|
|
``energy``, and ``material``) restrict the tally so that only particles
|
|
within certain regions of phase space contribute to the tally. Others
|
|
(e.g. ``delayedgroup`` and ``energyfunction``) can apply some other function
|
|
to the scored values. This element and its attributes/sub-elements are
|
|
described below.
|
|
|
|
.. note::
|
|
You may specify zero, one, or multiple filters to apply to the tally. To
|
|
specify multiple filters, you must use multiple ``<filter>`` elements.
|
|
|
|
The ``filter`` element has the following attributes/sub-elements:
|
|
|
|
:type:
|
|
The type of the filter. Accepted options are "cell", "cellborn",
|
|
"material", "universe", "energy", "energyout", "mesh", "distribcell",
|
|
"delayedgroup", and "energyfunction".
|
|
|
|
:bins:
|
|
For each filter type, the corresponding ``bins`` entry is given as
|
|
follows:
|
|
|
|
:cell:
|
|
A list of cells in which the tally should be accumulated.
|
|
|
|
:cellborn:
|
|
This filter allows the tally to be scored to only when particles were
|
|
originally born in a specified cell.
|
|
|
|
:surface:
|
|
A list of surfaces for which the tally should be accumulated.
|
|
|
|
:material:
|
|
A list of materials for which the tally should be accumulated.
|
|
|
|
:universe:
|
|
A list of universes for which the tally should be accumulated.
|
|
|
|
:energy:
|
|
In continuous-energy mode, this filter should be provided as a
|
|
monotonically increasing list of bounding **pre-collision** energies
|
|
for a number of groups. For example, if this filter is specified as
|
|
|
|
.. code-block:: xml
|
|
|
|
<filter type="energy" bins="0.0 1.0e6 20.0e6" />
|
|
|
|
then two energy bins will be created, one with energies between 0 and
|
|
1 MeV and the other with energies between 1 and 20 MeV.
|
|
|
|
In multi-group mode the bins provided must match group edges
|
|
defined in the multi-group library.
|
|
|
|
:energyout:
|
|
In continuous-energy mode, this filter should be provided as a
|
|
monotonically increasing list of bounding **post-collision** energies
|
|
for a number of groups. For example, if this filter is specified as
|
|
|
|
.. code-block:: xml
|
|
|
|
<filter type="energyout" bins="0.0 1.0e6 20.0e6" />
|
|
|
|
then two post-collision energy bins will be created, one with
|
|
energies between 0 and 1 MeV and the other with energies between
|
|
1 and 20 MeV.
|
|
|
|
In multi-group mode the bins provided must match group edges
|
|
defined in the multi-group library.
|
|
|
|
:mu:
|
|
A monotonically increasing list of bounding **post-collision** cosines
|
|
of the change in a particle's angle (i.e., :math:`\mu = \hat{\Omega}
|
|
\cdot \hat{\Omega}'`), which represents a portion of the possible
|
|
values of :math:`[-1,1]`. For example, spanning all of :math:`[-1,1]`
|
|
with five equi-width bins can be specified as:
|
|
|
|
.. code-block:: xml
|
|
|
|
<filter type="mu" bins="-1.0 -0.6 -0.2 0.2 0.6 1.0" />
|
|
|
|
Alternatively, if only one value is provided as a bin, OpenMC will
|
|
interpret this to mean the complete range of :math:`[-1,1]` should
|
|
be automatically subdivided in to the provided value for the bin.
|
|
That is, the above example of five equi-width bins spanning
|
|
:math:`[-1,1]` can be instead written as:
|
|
|
|
.. code-block:: xml
|
|
|
|
<filter type="mu" bins="5" />
|
|
|
|
:polar:
|
|
A monotonically increasing list of bounding particle polar angles
|
|
which represents a portion of the possible values of :math:`[0,\pi]`.
|
|
For example, spanning all of :math:`[0,\pi]` with five equi-width
|
|
bins can be specified as:
|
|
|
|
.. code-block:: xml
|
|
|
|
<filter type="polar" bins="0.0 0.6283 1.2566 1.8850 2.5132 3.1416"/>
|
|
|
|
Alternatively, if only one value is provided as a bin, OpenMC will
|
|
interpret this to mean the complete range of :math:`[0,\pi]` should
|
|
be automatically subdivided in to the provided value for the bin.
|
|
That is, the above example of five equi-width bins spanning
|
|
:math:`[0,\pi]` can be instead written as:
|
|
|
|
.. code-block:: xml
|
|
|
|
<filter type="polar" bins="5" />
|
|
|
|
:azimuthal:
|
|
A monotonically increasing list of bounding particle azimuthal angles
|
|
which represents a portion of the possible values of :math:`[-\pi,\pi)`.
|
|
For example, spanning all of :math:`[-\pi,\pi)` with two equi-width
|
|
bins can be specified as:
|
|
|
|
.. code-block:: xml
|
|
|
|
<filter type="azimuthal" bins="0.0 3.1416 6.2832" />
|
|
|
|
Alternatively, if only one value is provided as a bin, OpenMC will
|
|
interpret this to mean the complete range of :math:`[-\pi,\pi)` should
|
|
be automatically subdivided in to the provided value for the bin.
|
|
That is, the above example of five equi-width bins spanning
|
|
:math:`[-\pi,\pi)` can be instead written as:
|
|
|
|
.. code-block:: xml
|
|
|
|
<filter type="azimuthal" bins="2" />
|
|
|
|
:mesh:
|
|
The ``id`` of a structured mesh to be tallied over.
|
|
|
|
:distribcell:
|
|
The single cell which should be tallied uniquely for all instances.
|
|
|
|
.. note::
|
|
The distribcell filter will take a single cell ID and will tally
|
|
each unique occurrence of that cell separately. This filter will
|
|
not accept more than one cell ID. It is not recommended to combine
|
|
this filter with a cell or mesh filter.
|
|
|
|
:delayedgroup:
|
|
A list of delayed neutron precursor groups for which the tally should
|
|
be accumulated. For instance, to tally to all 6 delayed groups in the
|
|
ENDF/B-VII.1 library the filter is specified as:
|
|
|
|
.. code-block:: xml
|
|
|
|
<filter type="delayedgroup" bins="1 2 3 4 5 6" />
|
|
|
|
:energyfunction:
|
|
``energyfunction`` filters do not use the ``bins`` entry. Instead
|
|
they use ``energy`` and ``y``.
|
|
|
|
:energy:
|
|
``energyfunction`` filters multiply tally scores by an arbitrary
|
|
function. The function is described by a piecewise linear-linear set of
|
|
(energy, y) values. This entry specifies the energy values. The function
|
|
will be evaluated as zero outside of the bounds of this energy grid.
|
|
(Only used for ``energyfunction`` filters)
|
|
|
|
:y:
|
|
``energyfunction`` filters multiply tally scores by an arbitrary
|
|
function. The function is described by a piecewise linear-linear set of
|
|
(energy, y) values. This entry specifies the y values. (Only used
|
|
for ``energyfunction`` filters)
|
|
|
|
:nuclides:
|
|
If specified, the scores listed will be for particular nuclides, not the
|
|
summation of reactions from all nuclides. The format for nuclides should be
|
|
[Atomic symbol]-[Mass number], e.g. "U-235". The reaction rate for all
|
|
nuclides can be obtained with "total". For example, to obtain the reaction
|
|
rates for U-235, Pu-239, and all nuclides in a material, this element should
|
|
be:
|
|
|
|
.. code-block:: xml
|
|
|
|
<nuclides>U-235 Pu-239 total</nuclides>
|
|
|
|
*Default*: total
|
|
|
|
:estimator:
|
|
The estimator element is used to force the use of either ``analog``,
|
|
``collision``, or ``tracklength`` tally estimation. ``analog`` is generally
|
|
the least efficient though it can be used with every score type.
|
|
``tracklength`` is generally the most efficient, but neither ``tracklength``
|
|
nor ``collision`` can be used to score a tally that requires post-collision
|
|
information. For example, a scattering tally with outgoing energy filters
|
|
cannot be used with ``tracklength`` or ``collision`` because the code will
|
|
not know the outgoing energy distribution.
|
|
|
|
*Default*: ``tracklength`` but will revert to ``analog`` if necessary.
|
|
|
|
:scores:
|
|
A space-separated list of the desired responses to be accumulated. The accepted
|
|
options are listed in the following tables:
|
|
|
|
.. table:: **Flux scores: units are particle-cm per source particle.**
|
|
|
|
+----------------------+---------------------------------------------------+
|
|
|Score | Description |
|
|
+======================+===================================================+
|
|
|flux |Total flux. |
|
|
+----------------------+---------------------------------------------------+
|
|
|flux-YN |Spherical harmonic expansion of the direction of |
|
|
| |motion :math:`\left(\Omega\right)` of the total |
|
|
| |flux. This score will tally all of the harmonic |
|
|
| |moments of order 0 to N. N must be between 0 and |
|
|
| |10. |
|
|
+----------------------+---------------------------------------------------+
|
|
|
|
.. table:: **Reaction scores: units are reactions per source particle.**
|
|
|
|
+----------------------+---------------------------------------------------+
|
|
|Score | Description |
|
|
+======================+===================================================+
|
|
|absorption |Total absorption rate. This accounts for all |
|
|
| |reactions which do not produce secondary neutrons |
|
|
| |as well as fission. |
|
|
+----------------------+---------------------------------------------------+
|
|
|elastic |Elastic scattering reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|fission |Total fission reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|scatter |Total scattering rate. Can also be identified with |
|
|
| |the "scatter-0" response type. |
|
|
+----------------------+---------------------------------------------------+
|
|
|scatter-N |Tally the N\ :sup:`th` \ scattering moment, where N|
|
|
| |is the Legendre expansion order of the change in |
|
|
| |particle angle :math:`\left(\mu\right)`. N must be |
|
|
| |between 0 and 10. As an example, tallying the 2\ |
|
|
| |:sup:`nd` \ scattering moment would be specified as|
|
|
| |``<scores>scatter-2</scores>``. |
|
|
+----------------------+---------------------------------------------------+
|
|
|scatter-PN |Tally all of the scattering moments from order 0 to|
|
|
| |N, where N is the Legendre expansion order of the |
|
|
| |change in particle angle |
|
|
| |:math:`\left(\mu\right)`. That is, "scatter-P1" is |
|
|
| |equivalent to requesting tallies of "scatter-0" and|
|
|
| |"scatter-1". Like for "scatter-N", N must be |
|
|
| |between 0 and 10. As an example, tallying up to the|
|
|
| |2\ :sup:`nd` \ scattering moment would be specified|
|
|
| |as ``<scores> scatter-P2 </scores>``. |
|
|
+----------------------+---------------------------------------------------+
|
|
|scatter-YN |"scatter-YN" is similar to "scatter-PN" except an |
|
|
| |additional expansion is performed for the incoming |
|
|
| |particle direction :math:`\left(\Omega\right)` |
|
|
| |using the real spherical harmonics. This is useful|
|
|
| |for performing angular flux moment weighting of the|
|
|
| |scattering moments. Like "scatter-PN", "scatter-YN"|
|
|
| |will tally all of the moments from order 0 to N; N |
|
|
| |again must be between 0 and 10. |
|
|
+----------------------+---------------------------------------------------+
|
|
|total |Total reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|total-YN |The total reaction rate expanded via spherical |
|
|
| |harmonics about the direction of motion of the |
|
|
| |neutron, :math:`\Omega`. This score will tally all |
|
|
| |of the harmonic moments of order 0 to N. N must be|
|
|
| |between 0 and 10. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,2nd) |(n,2nd) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,2n) |(n,2n) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,3n) |(n,3n) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,na) |(n,n\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,n3a) |(n,n3\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,2na) |(n,2n\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,3na) |(n,3n\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,np) |(n,np) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,n2a) |(n,n2\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,2n2a) |(n,2n2\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,nd) |(n,nd) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,nt) |(n,nt) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,nHe-3) |(n,n\ :sup:`3`\ He) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,nd2a) |(n,nd2\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,nt2a) |(n,nt2\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,4n) |(n,4n) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,2np) |(n,2np) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,3np) |(n,3np) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,n2p) |(n,n2p) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,n*X*) |Level inelastic scattering reaction rate. The *X* |
|
|
| |indicates what which inelastic level, e.g., (n,n3) |
|
|
| |is third-level inelastic scattering. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,nc) |Continuum level inelastic scattering reaction rate.|
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,gamma) |Radiative capture reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,p) |(n,p) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,d) |(n,d) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,t) |(n,t) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,3He) |(n,\ :sup:`3`\ He) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,a) |(n,\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,2a) |(n,2\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,3a) |(n,3\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,2p) |(n,2p) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,pa) |(n,p\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,t2a) |(n,t2\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,d2a) |(n,d2\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,pd) |(n,pd) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,pt) |(n,pt) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|(n,da) |(n,d\ :math:`\alpha`\ ) reaction rate. |
|
|
+----------------------+---------------------------------------------------+
|
|
|*Arbitrary integer* |An arbitrary integer is interpreted to mean the |
|
|
| |reaction rate for a reaction with a given ENDF MT |
|
|
| |number. |
|
|
+----------------------+---------------------------------------------------+
|
|
|
|
.. table:: **Particle production scores: units are particles produced per
|
|
source particles.**
|
|
|
|
+----------------------+---------------------------------------------------+
|
|
|Score | Description |
|
|
+======================+===================================================+
|
|
|delayed-nu-fission |Total production of delayed neutrons due to |
|
|
| |fission. |
|
|
+----------------------+---------------------------------------------------+
|
|
|prompt-nu-fission |Total production of prompt neutrons due to |
|
|
| |fission. |
|
|
+----------------------+---------------------------------------------------+
|
|
|nu-fission |Total production of neutrons due to fission. |
|
|
+----------------------+---------------------------------------------------+
|
|
|nu-scatter, |These scores are similar in functionality to their |
|
|
|nu-scatter-N, |``scatter*`` equivalents except the total |
|
|
|nu-scatter-PN, |production of neutrons due to scattering is scored |
|
|
|nu-scatter-YN |vice simply the scattering rate. This accounts for |
|
|
| |multiplicity from (n,2n), (n,3n), and (n,4n) |
|
|
| |reactions. |
|
|
+----------------------+---------------------------------------------------+
|
|
|
|
.. table:: **Miscellaneous scores: units are indicated for each.**
|
|
|
|
+----------------------+---------------------------------------------------+
|
|
|Score | Description |
|
|
+======================+===================================================+
|
|
|current |Partial currents on the boundaries of each cell in |
|
|
| |a mesh. Units are particles per source |
|
|
| |particle. Note that this score can only be used if |
|
|
| |a mesh filter has been specified. Furthermore, it |
|
|
| |may not be used in conjunction with any other |
|
|
| |score. |
|
|
+----------------------+---------------------------------------------------+
|
|
|events |Number of scoring events. Units are events per |
|
|
| |source particle. |
|
|
+----------------------+---------------------------------------------------+
|
|
|inverse-velocity |The flux-weighted inverse velocity where the |
|
|
| |velocity is in units of centimeters per second. |
|
|
+----------------------+---------------------------------------------------+
|
|
|kappa-fission |The recoverable energy production rate due to |
|
|
| |fission. The recoverable energy is defined as the |
|
|
| |fission product kinetic energy, prompt and delayed |
|
|
| |neutron kinetic energies, prompt and delayed |
|
|
| |:math:`\gamma`-ray total energies, and the total |
|
|
| |energy released by the delayed :math:`\beta` |
|
|
| |particles. The neutrino energy does not contribute |
|
|
| |to this response. The prompt and delayed |
|
|
| |:math:`\gamma`-rays are assumed to deposit their |
|
|
| |energy locally. Units are eV per source particle. |
|
|
+----------------------+---------------------------------------------------+
|
|
|fission-q-prompt |The prompt fission energy production rate. This |
|
|
| |energy comes in the form of fission fragment |
|
|
| |nuclei, prompt neutrons, and prompt |
|
|
| |:math:`\gamma`-rays. This value depends on the |
|
|
| |incident energy and it requires that the nuclear |
|
|
| |data library contains the optional fission energy |
|
|
| |release data. Energy is assumed to be deposited |
|
|
| |locally. Units are eV per source particle. |
|
|
+----------------------+---------------------------------------------------+
|
|
|fission-q-recoverable |The recoverable fission energy production rate. |
|
|
| |This energy comes in the form of fission fragment |
|
|
| |nuclei, prompt and delayed neutrons, prompt and |
|
|
| |delayed :math:`\gamma`-rays, and delayed |
|
|
| |:math:`\beta`-rays. This tally differs from the |
|
|
| |kappa-fission tally in that it is dependent on |
|
|
| |incident neutron energy and it requires that the |
|
|
| |nuclear data library contains the optional fission |
|
|
| |energy release data. Energy is assumed to be |
|
|
| |deposited locally. Units are eV per source |
|
|
| |paticle. |
|
|
+----------------------+---------------------------------------------------+
|
|
|decay-rate |The delayed-nu-fission-weighted decay rate where |
|
|
| |the decay rate is in units of inverse seconds. |
|
|
+----------------------+---------------------------------------------------+
|
|
|
|
.. note::
|
|
The ``analog`` estimator is actually identical to the ``collision``
|
|
estimator for the flux and inverse-velocity scores.
|
|
|
|
:trigger:
|
|
Precision trigger applied to all filter bins and nuclides for this tally.
|
|
It must specify the trigger's type, threshold and scores to which it will
|
|
be applied. It has the following attributes/sub-elements:
|
|
|
|
:type:
|
|
The type of the trigger. Accepted options are "variance", "std_dev",
|
|
and "rel_err".
|
|
|
|
:variance:
|
|
Variance of the batch mean :math:`\sigma^2`
|
|
|
|
:std_dev:
|
|
Standard deviation of the batch mean :math:`\sigma`
|
|
|
|
:rel_err:
|
|
Relative error of the batch mean :math:`\frac{\sigma}{\mu}`
|
|
|
|
*Default*: None
|
|
|
|
:threshold:
|
|
The precision trigger's convergence criterion for tallied values.
|
|
|
|
*Default*: None
|
|
|
|
:scores:
|
|
The score(s) in this tally to which the trigger should be applied.
|
|
|
|
.. note:: The ``scores`` in ``trigger`` must have been defined in
|
|
``scores`` in ``tally``. An optional "all" may be used to
|
|
select all scores in this tally.
|
|
|
|
*Default*: "all"
|
|
|
|
:derivative:
|
|
The id of a ``derivative`` element. This derivative will be applied to all
|
|
scores in the tally. Differential tallies are currently only implemented
|
|
for collision and analog estimators.
|
|
|
|
*Default*: None
|
|
|
|
``<mesh>`` Element
|
|
------------------
|
|
|
|
If a structured mesh is desired as a filter for a tally, it must be specified in
|
|
a separate element with the tag name ``<mesh>``. This element has the following
|
|
attributes/sub-elements:
|
|
|
|
:type:
|
|
The type of structured mesh. The only valid option is "regular".
|
|
|
|
:dimension:
|
|
The number of mesh cells in each direction.
|
|
|
|
:lower_left:
|
|
The lower-left corner of the structured mesh. If only two coordinates are
|
|
given, it is assumed that the mesh is an x-y mesh.
|
|
|
|
:upper_right:
|
|
The upper-right corner of the structured mesh. If only two coordinates are
|
|
given, it is assumed that the mesh is an x-y mesh.
|
|
|
|
:width:
|
|
The width of mesh cells in each direction.
|
|
|
|
.. note::
|
|
One of ``<upper_right>`` or ``<width>`` must be specified, but not both
|
|
(even if they are consistent with one another).
|
|
|
|
``<derivative>`` Element
|
|
------------------------
|
|
|
|
OpenMC can take the first-order derivative of many tallies with respect to
|
|
material perturbations. It works by propagating a derivative through the
|
|
transport equation. Essentially, OpenMC keeps track of how each particle's
|
|
weight would change as materials are perturbed, and then accounts for that
|
|
weight change in the tallies. Note that this assumes material perturbations are
|
|
small enough not to change the distribution of fission sites. This element has
|
|
the following attributes/sub-elements:
|
|
|
|
:id:
|
|
A unique integer that can be used to identify the derivative.
|
|
|
|
:variable:
|
|
The independent variable of the derivative. Accepted options are "density",
|
|
"nuclide_density", and "temperature". A "density" derivative will give the
|
|
derivative with respect to the density of the material in [g / cm^3]. A
|
|
"nuclide_density" derivative will give the derivative with respect to the
|
|
density of a particular nuclide in units of [atom / b / cm]. A
|
|
"temperature" derivative is with respect to a material temperature in units
|
|
of [K]. The temperature derivative requires windowed multipole to be
|
|
turned on. Note also that the temperature derivative only accounts for
|
|
resolved resonance Doppler broadening. It does not account for thermal
|
|
expansion, S(a, b) scattering, resonance scattering, or unresolved Doppler
|
|
broadening.
|
|
|
|
:material:
|
|
The perturbed material. (Necessary for all derivative types)
|
|
|
|
:nuclide:
|
|
The perturbed nuclide. (Necessary only for "nuclide_density")
|
|
|
|
``<assume_separate>`` Element
|
|
-----------------------------
|
|
|
|
In cases where the user needs to specify many different tallies each of which
|
|
are spatially separate, this tag can be used to cut down on some of the tally
|
|
overhead. The effect of assuming all tallies are spatially separate is that once
|
|
one tally is scored to, the same event is assumed not to score to any other
|
|
tallies. This element should be followed by "true" or "false".
|
|
|
|
.. warning:: If used incorrectly, the assumption that all tallies are
|
|
spatially separate can lead to incorrect results.
|
|
|
|
*Default*: false
|
|
|
|
.. _usersguide_plotting:
|
|
|
|
--------------------------------------------
|
|
Geometry Plotting Specification -- plots.xml
|
|
--------------------------------------------
|
|
|
|
Basic plotting capabilities are available in OpenMC by creating a plots.xml
|
|
file and subsequently running with the command-line flag ``-plot``. The root
|
|
element of the plots.xml is simply ``<plots>`` and any number output plots can
|
|
be defined with ``<plot>`` sub-elements. Two plot types are currently
|
|
implemented in openMC:
|
|
|
|
* ``slice`` 2D pixel plot along one of the major axes. Produces a PPM image
|
|
file.
|
|
* ``voxel`` 3D voxel data dump. Produces a binary file containing voxel xyz
|
|
position and cell or material id.
|
|
|
|
|
|
``<plot>`` Element
|
|
------------------
|
|
|
|
Each plot is specified by a combination of the following attributes or
|
|
sub-elements:
|
|
|
|
:id:
|
|
The unique ``id`` of the plot.
|
|
|
|
*Default*: None - Required entry
|
|
|
|
:filename:
|
|
Filename for the output plot file.
|
|
|
|
*Default*: "plot"
|
|
|
|
:color:
|
|
Keyword for plot coloring. This can only be either ``cell`` or ``mat``,
|
|
which colors regions by cells and materials, respectively. For voxel plots,
|
|
this determines which id (cell or material) is associated with each
|
|
position.
|
|
|
|
*Default*: ``cell``
|
|
|
|
:level:
|
|
Universe depth to plot at (optional). This parameter controls how many
|
|
universe levels deep to pull cell and material ids from when setting plot
|
|
colors. If a given location does not have as many levels as specified,
|
|
colors will be taken from the lowest level at that location. For example, if
|
|
``level`` is set to zero colors will be taken from top-level (universe zero)
|
|
cells only. However, if ``level`` is set to 1 colors will be taken from
|
|
cells in universes that fill top-level fill-cells, and from top-level cells
|
|
that contain materials.
|
|
|
|
*Default*: Whatever the deepest universe is in the model
|
|
|
|
:origin:
|
|
Specifies the (x,y,z) coordinate of the center of the plot. Should be three
|
|
floats separated by spaces.
|
|
|
|
*Default*: None - Required entry
|
|
|
|
:width:
|
|
Specifies the width of the plot along each of the basis directions. Should
|
|
be two or three floats separated by spaces for 2D plots and 3D plots,
|
|
respectively.
|
|
|
|
*Default*: None - Required entry
|
|
|
|
:type:
|
|
Keyword for type of plot to be produced. Currently only "slice" and "voxel"
|
|
plots are implemented. The "slice" plot type creates 2D pixel maps saved in
|
|
the PPM file format. PPM files can be displayed in most viewers (e.g. the
|
|
default Gnome viewer, IrfanView, etc.). The "voxel" plot type produces a
|
|
binary datafile containing voxel grid positioning and the cell or material
|
|
(specified by the ``color`` tag) at the center of each voxel. These
|
|
datafiles can be processed into 3D SILO files using the
|
|
``openmc-voxel-to-silovtk`` utility provided with the OpenMC source, and
|
|
subsequently viewed with a 3D viewer such as VISIT or Paraview. See the
|
|
:ref:`io_voxel` for information about the datafile structure.
|
|
|
|
.. note:: Since the PPM format is saved without any kind of compression,
|
|
the resulting file sizes can be quite large. Saving the image in
|
|
the PNG format can often times reduce the file size by orders of
|
|
magnitude without any loss of image quality. Likewise,
|
|
high-resolution voxel files produced by OpenMC can be quite large,
|
|
but the equivalent SILO files will be significantly smaller.
|
|
|
|
*Default*: "slice"
|
|
|
|
``<plot>`` elements of ``type`` "slice" and "voxel" must contain the ``pixels``
|
|
attribute or sub-element:
|
|
|
|
:pixels:
|
|
Specifies the number of pixels or voxels to be used along each of the basis
|
|
directions for "slice" and "voxel" plots, respectively. Should be two or
|
|
three integers separated by spaces.
|
|
|
|
.. warning:: The ``pixels`` input determines the output file size. For the
|
|
PPM format, 10 million pixels will result in a file just under
|
|
30 MB in size. A 10 million voxel binary file will be around
|
|
40 MB.
|
|
|
|
.. warning:: If the aspect ratio defined in ``pixels`` does not match the
|
|
aspect ratio defined in ``width`` the plot may appear stretched
|
|
or squeezed.
|
|
|
|
.. warning:: Geometry features along a basis direction smaller than
|
|
``width``/``pixels`` along that basis direction may not appear
|
|
in the plot.
|
|
|
|
*Default*: None - Required entry for "slice" and "voxel" plots
|
|
|
|
``<plot>`` elements of ``type`` "slice" can also contain the following
|
|
attributes or sub-elements. These are not used in "voxel" plots:
|
|
|
|
:basis:
|
|
Keyword specifying the plane of the plot for "slice" type plots. Can be
|
|
one of: "xy", "xz", "yz".
|
|
|
|
*Default*: "xy"
|
|
|
|
:background:
|
|
Specifies the RGB color of the regions where no OpenMC cell can be found.
|
|
Should be three integers separated by spaces.
|
|
|
|
*Default*: 0 0 0 (black)
|
|
|
|
:col_spec:
|
|
Any number of this optional tag may be included in each ``<plot>`` element,
|
|
which can override the default random colors for cells or materials. Each
|
|
``col_spec`` element must contain ``id`` and ``rgb`` sub-elements.
|
|
|
|
:id:
|
|
Specifies the cell or material unique id for the color specification.
|
|
|
|
:rgb:
|
|
Specifies the custom color for the cell or material. Should be 3 integers
|
|
separated by spaces.
|
|
|
|
As an example, if your plot is colored by material and you want material 23
|
|
to be blue, the corresponding ``col_spec`` element would look like:
|
|
|
|
.. code-block:: xml
|
|
|
|
<col_spec id="23" rgb="0 0 255" />
|
|
|
|
*Default*: None
|
|
|
|
:mask:
|
|
The special ``mask`` sub-element allows for the selective plotting of *only*
|
|
user-specified cells or materials. Only one ``mask`` element is allowed per
|
|
``plot`` element, and it must contain as attributes or sub-elements a
|
|
background masking color and a list of cells or materials to plot:
|
|
|
|
:components:
|
|
List of unique ``id`` numbers of the cells or materials to plot. Should be
|
|
any number of integers separated by spaces.
|
|
|
|
:background:
|
|
Color to apply to all cells or materials not in the ``components`` list of
|
|
cells or materials to plot. This overrides any ``col_spec`` color
|
|
specifications.
|
|
|
|
*Default*: None
|
|
|
|
:meshlines:
|
|
The ``meshlines`` sub-element allows for plotting the boundaries of a
|
|
regular mesh on top of a plot. Only one ``meshlines`` element is allowed per
|
|
``plot`` element, and it must contain as attributes or sub-elements a mesh
|
|
type and a linewidth. Optionally, a color may be specified for the overlay:
|
|
|
|
:meshtype:
|
|
The type of the mesh to be plotted. Valid options are "tally", "entropy",
|
|
"ufs", and "cmfd". If plotting "tally" meshes, the id of the mesh to plot
|
|
must be specified with the ``id`` sub-element.
|
|
|
|
:id:
|
|
A single integer id number for the mesh specified on ``tallies.xml`` that
|
|
should be plotted. This element is only required for ``meshtype="tally"``.
|
|
|
|
:linewidth:
|
|
A single integer number of pixels of linewidth to specify for the mesh
|
|
boundaries. Specifying this as 0 indicates that lines will be 1 pixel
|
|
thick, specifying 1 indicates 3 pixels thick, specifying 2 indicates
|
|
5 pixels thick, etc.
|
|
|
|
:color:
|
|
Specifies the custom color for the meshlines boundaries. Should be 3
|
|
integers separated by whitespace. This element is optional.
|
|
|
|
*Default*: 0 0 0 (black)
|
|
|
|
*Default*: None
|
|
|
|
.. _usersguide_cmfd:
|
|
|
|
------------------------------
|
|
CMFD Specification -- cmfd.xml
|
|
------------------------------
|
|
|
|
Coarse mesh finite difference acceleration method has been implemented in
|
|
OpenMC. Currently, it allows users to accelerate fission source convergence
|
|
during inactive neutron batches. To run CMFD, the ``<run_cmfd>`` element in
|
|
``settings.xml`` should be set to "true".
|
|
|
|
``<begin>`` Element
|
|
-------------------
|
|
|
|
The ``<begin>`` element controls what batch CMFD calculations should begin.
|
|
|
|
*Default*: 1
|
|
|
|
``<dhat_reset>`` Element
|
|
------------------------
|
|
|
|
The ``<dhat_reset>`` element controls whether :math:`\widehat{D}` nonlinear
|
|
CMFD parameters should be reset to zero before solving CMFD eigenproblem.
|
|
It can be turned on with "true" and off with "false".
|
|
|
|
*Default*: false
|
|
|
|
``<display>`` Element
|
|
---------------------
|
|
|
|
The ``<display>`` element sets one additional CMFD output column. Options are:
|
|
|
|
* "balance" - prints the RMS [%] of the resdiual from the neutron balance
|
|
equation on CMFD tallies.
|
|
* "dominance" - prints the estimated dominance ratio from the CMFD iterations.
|
|
**This will only work for power iteration eigensolver**.
|
|
* "entropy" - prints the *entropy* of the CMFD predicted fission source.
|
|
**Can only be used if OpenMC entropy is active as well**.
|
|
* "source" - prints the RMS [%] between the OpenMC fission source and CMFD
|
|
fission source.
|
|
|
|
*Default*: balance
|
|
|
|
``<downscatter>`` Element
|
|
-------------------------
|
|
|
|
The ``<downscatter>`` element controls whether an effective downscatter cross
|
|
section should be used when using 2-group CMFD. It can be turned on with "true"
|
|
and off with "false".
|
|
|
|
*Default*: false
|
|
|
|
``<feedback>`` Element
|
|
----------------------
|
|
|
|
The ``<feedback>`` element controls whether or not the CMFD diffusion result is
|
|
used to adjust the weight of fission source neutrons on the next OpenMC batch.
|
|
It can be turned on with "true" and off with "false".
|
|
|
|
*Default*: false
|
|
|
|
``<gauss_seidel_tolerance>`` Element
|
|
------------------------------------
|
|
|
|
The ``<gauss_seidel_tolerance>`` element specifies two parameters. The first is
|
|
the absolute inner tolerance for Gauss-Seidel iterations when performing CMFD
|
|
and the second is the relative inner tolerance for Gauss-Seidel iterations
|
|
for CMFD calculations.
|
|
|
|
*Default*: 1.e-10 1.e-5
|
|
|
|
``<ktol>`` Element
|
|
--------------------
|
|
|
|
The ``<ktol>`` element specifies the tolerance on the eigenvalue when performing
|
|
CMFD power iteration.
|
|
|
|
*Default*: 1.e-8
|
|
|
|
``<mesh>`` Element
|
|
------------------
|
|
|
|
The CMFD mesh is a structured Cartesian mesh. This element has the following
|
|
attributes/sub-elements:
|
|
|
|
:lower_left:
|
|
The lower-left corner of the structured mesh. If only two coordinates are
|
|
given, it is assumed that the mesh is an x-y mesh.
|
|
|
|
:upper_right:
|
|
The upper-right corner of the structrued mesh. If only two coordinates are
|
|
given, it is assumed that the mesh is an x-y mesh.
|
|
|
|
:dimension:
|
|
The number of mesh cells in each direction.
|
|
|
|
:width:
|
|
The width of mesh cells in each direction.
|
|
|
|
:energy:
|
|
Energy bins [in eV], listed in ascending order (e.g. 0.0 0.625 20.0e6)
|
|
for CMFD tallies and acceleration. If no energy bins are listed, OpenMC
|
|
automatically assumes a one energy group calculation over the entire
|
|
energy range.
|
|
|
|
:albedo:
|
|
Surface ratio of incoming to outgoing partial currents on global boundary
|
|
conditions. They are listed in the following order: -x +x -y +y -z +z.
|
|
|
|
*Default*: 1.0 1.0 1.0 1.0 1.0 1.0
|
|
|
|
:map:
|
|
An optional acceleration map can be specified to overlay on the coarse
|
|
mesh spatial grid. If this option is used, a ``1`` is used for a
|
|
non-accelerated region and a ``2`` is used for an accelerated region.
|
|
For a simple 4x4 coarse mesh with a 2x2 fuel lattice surrounded by
|
|
reflector, the map is:
|
|
|
|
``1 1 1 1``
|
|
|
|
``1 2 2 1``
|
|
|
|
``1 2 2 1``
|
|
|
|
``1 1 1 1``
|
|
|
|
Therefore a 2x2 system of equations is solved rather than a 4x4. This
|
|
is extremely important to use in reflectors as neutrons will not
|
|
contribute to any tallies far away from fission source neutron regions.
|
|
A ``2`` must be used to identify any fission source region.
|
|
|
|
.. note:: Only two of the following three sub-elements are needed:
|
|
``lower_left``, ``upper_right`` and ``width``. Any combination
|
|
of two of these will yield the third.
|
|
|
|
``<norm>`` Element
|
|
------------------
|
|
|
|
The ``<norm>`` element is used to normalize the CMFD fission source distribution
|
|
to a particular value. For example, if a fission source is calculated for a
|
|
17 x 17 lattice of pins, the fission source may be normalized to the number of
|
|
fission source regions, in this case 289. This is useful when visualizing this
|
|
distribution as the average peaking factor will be unity. This parameter will
|
|
not impact the calculation.
|
|
|
|
*Default*: 1.0
|
|
|
|
``<power_monitor>`` Element
|
|
---------------------------
|
|
|
|
The ``<power_monitor>`` element is used to view the convergence of power
|
|
iteration. This option can be turned on with "true" and turned off with "false".
|
|
|
|
*Default*: false
|
|
|
|
``<run_adjoint>`` Element
|
|
-------------------------
|
|
|
|
The ``<run_adjoint>`` element can be turned on with "true" to have an adjoint
|
|
calculation be performed on the last batch when CMFD is active.
|
|
|
|
*Default*: false
|
|
|
|
``<shift>`` Element
|
|
--------------------
|
|
|
|
The ``<shift>`` element specifies an optional Wielandt shift parameter for
|
|
accelerating power iterations. It is by default very large so the impact of the
|
|
shift is effectively zero.
|
|
|
|
*Default*: 1e6
|
|
|
|
``<spectral>`` Element
|
|
----------------------
|
|
|
|
The ``<spectral>`` element specifies an optional spectral radius that can be set to
|
|
accelerate the convergence of Gauss-Seidel iterations during CMFD power iteration
|
|
solve.
|
|
|
|
*Default*: 0.0
|
|
|
|
``<stol>`` Element
|
|
------------------
|
|
|
|
The ``<stol>`` element specifies the tolerance on the fission source when performing
|
|
CMFD power iteration.
|
|
|
|
*Default*: 1.e-8
|
|
|
|
``<tally_reset>`` Element
|
|
-------------------------
|
|
|
|
The ``<tally_reset>`` element contains a list of batch numbers in which CMFD tallies
|
|
should be reset.
|
|
|
|
*Default*: None
|
|
|
|
``<write_matrices>`` Element
|
|
----------------------------
|
|
|
|
The ``<write_matrices>`` element is used to write the sparse matrices created
|
|
when solving CMFD equations. This option can be turned on with "true" and off
|
|
with "false".
|
|
|
|
*Default*: false
|
|
|
|
------------------------------------
|
|
ERSN-OpenMC Graphical User Interface
|
|
------------------------------------
|
|
|
|
A third-party Java-based user-friendly graphical user interface for creating XML
|
|
input files called ERSN-OpenMC_ is developed and maintained by members of the
|
|
Radiation and Nuclear Systems Group at the Faculty of Sciences Tetouan, Morocco.
|
|
The GUI also allows one to automatically download prerequisites for installing and
|
|
running OpenMC.
|
|
|
|
.. _ERSN-OpenMC: https://github.com/EL-Bakkali-Jaafar/ERSN-OpenMC
|