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Slight reformatting of the depletion documentation. The "Primary API" is presented at the top, including integrators and the Operator. This section is followed by a "Minimal Example" that demonstrates how one might instantiate an Operator, and use it for depletion. The comm communicator is moved into the "Internal Classes and Functions" section, as the end-user is less likely to interact with this directly. Lastly, a section on "Abstract Base Classes" is provided and expanded, documenting the purpose of specific ABCs.
196 lines
5.3 KiB
ReStructuredText
196 lines
5.3 KiB
ReStructuredText
.. _pythonapi_deplete:
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----------------------------------
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:mod:`openmc.deplete` -- Depletion
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----------------------------------
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.. module:: openmc.deplete
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Primary API
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-----------
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The two primary requirements to perform depletion with :mod:`openmc.deplete`
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are:
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1) A transport operator
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2) A time-integration scheme
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The former is responsible for executing a transport code, like OpenMC,
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and retaining important information required for depletion. The most common examples
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are reaction rates and power normalization data. The latter is responsible for
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projecting reaction rates and compositions forward in calendar time across
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some step size :math:`\Delta t`, and obtaining new compositions given a power
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or power density. The :class:`Operator` is provided to handle communicating with
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OpenMC. Several classes are provided that implement different time-integration
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algorithms for depletion calculations, which are described in detail in Colin
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Josey's thesis, `Development and analysis of high order neutron
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transport-depletion coupling algorithms <http://hdl.handle.net/1721.1/113721>`_.
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.. autosummary::
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:toctree: generated
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:nosignatures:
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:template: myintegrator.rst
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PredictorIntegrator
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CECMIntegrator
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CELIIntegrator
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CF4Integrator
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EPCRK4Integrator
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LEQIIntegrator
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SICELIIntegrator
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SILEQIIntegrator
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Each of these classes expects a "transport operator" to be passed. An operator
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specific to OpenMC is available using the following class:
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.. autosummary::
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:toctree: generated
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:nosignatures:
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:template: mycallable.rst
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Operator
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The :class:`Operator` must also have some knowledge of how nuclides transmute
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and decay. This is handled by the :class:`Chain`
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Minimal Example
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---------------
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A minimal example for performing depletion would be:
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.. code:: Python
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>>> import openmc
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>>> import openmc.deplete
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>>> geometry = openmc.Geometry.from_xml()
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>>> settings = openmc.Settings.from_xml()
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# Representation of a depletion chain
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>>> chain_file = "chain_casl.xml"
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>>> operator = openmc.deplete.Operator(
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... geometry, settings, chain_file)
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# Set up 5 time steps of one day each
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>>> dt = [24 * 60 * 60] * 5
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>>> power = 1E6 # constant power of 1 MW
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# Deplete using mid-point predictor-corrector
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>>> cecm = openmc.deplete.CECMIntegrator(
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... operator, dt, power)
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>>> cecm.integrate()
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Internal Classes and Functions
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------------------------------
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When running in parallel using `mpi4py <http://mpi4py.scipy.org>`_, the MPI
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intercommunicator used can be changed by modifying the following module
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variable. If it is not explicitly modified, it defaults to
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``mpi4py.MPI.COMM_WORLD``.
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.. data:: comm
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MPI intercommunicator used to call OpenMC library
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:type: mpi4py.MPI.Comm
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During a depletion calculation, the depletion chain, reaction rates, and number
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densities are managed through a series of internal classes that are not normally
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visible to a user. However, should you find yourself wondering about these
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classes (e.g., if you want to know what decay modes or reactions are present in
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a depletion chain), they are documented here. The following classes store data
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for a depletion chain:
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.. autosummary::
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:toctree: generated
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:nosignatures:
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:template: myclass.rst
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Chain
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DecayTuple
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Nuclide
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ReactionTuple
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FissionYieldDistribution
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FissionYield
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The following classes are used during a depletion simulation and store auxiliary
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data, such as number densities and reaction rates for each material.
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.. autosummary::
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:toctree: generated
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:nosignatures:
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:template: myclass.rst
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AtomNumber
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OperatorResult
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ReactionRates
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Results
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ResultsList
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The following functions are used to solve the depletion equations, with
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:func:`cram.CRAM48` being the default.
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.. autosummary::
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:toctree: generated
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:nosignatures:
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:template: myfunction.rst
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cram.CRAM16
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cram.CRAM48
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cram.deplete
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cram.timed_deplete
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The following classes are used to help the :class:`openmc.deplete.Operator`
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compute quantities like effective fission yields, reaction rates, and
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total system energy.
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.. autosummary::
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:toctree: generated
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:nosignatures:
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:template: myclass.rst
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helpers.AveragedFissionYieldHelper
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helpers.ChainFissionHelper
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helpers.ConstantFissionYieldHelper
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helpers.DirectReactionRateHelper
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helpers.FissionYieldCutoffHelper
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Abstract Base Classes
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---------------------
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A good starting point for extending capabilities in :mod:`openmc.deplete` is
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to examine the following abstract base classes. Custom classes can
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inherit from :class:`abc.TransportOperator` to implement alternative
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schemes for collecting reaction rates and other data from a transport code
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prior to depleting materials
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.. autosummary::
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:toctree: generated
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:nosignatures:
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:template: mycallable.rst
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abc.TransportOperator
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The following classes are abstract classes used to pass information from
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OpenMC simulations back on to the :class:`abc.TransportOperator`
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.. autosummary::
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:toctree: generated
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:nosignatures:
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:template: myclass.rst
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abc.EnergyHelper
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abc.FissionYieldHelper
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abc.ReactionRateHelper
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abc.TalliedFissionYieldHelper
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Custom integrators can be developed by subclassing from the following abstract
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base classes:
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.. autosummary::
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:toctree: generated
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:nosignatures:
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:template: myintegrator.rst
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abc.Integrator
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abc.SIIntegrator
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