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Style and spacing changes
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5 changed files with 45 additions and 34 deletions
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@ -182,19 +182,22 @@ been selected. There are three methods available:
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NCrystal materials
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------------------
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As an alternative of the standard thermal scattering treatment using :math:`S(\alpha,\beta)`
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tables, OpenMC allows to create materials using NCrystal_. In addition to the regular thermal elastic,
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and thermal inelastic processes, NCrystal allows the generation of models for materials that
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cannot currently included in ACE files such as oriented single crystals (see the `NCrystal paper`_),
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and further extend the physics `using plugins`_. Thermal scattering kernels are generated on
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the fly from dynamic and structural data, or loaded from :math:`S(\alpha,\beta)` tables converted
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from ENDF6 evaluations. These kernels are sampled in a direct way using a fast `rejection algorithm`_
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that does not require previous processing. A `large library`_ of materials is already included in
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the NCrystal distribution, and new materials can be easily defined from scratch in the `NCMAT format`_
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or `combining existing files`_.
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As an alternative of the standard thermal scattering treatment using
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:math:`S(\alpha,\beta)` tables, OpenMC allows to create materials using
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NCrystal_. In addition to the regular thermal elastic, and thermal inelastic
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processes, NCrystal allows the generation of models for materials that cannot
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currently included in ACE files such as oriented single crystals (see the
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`NCrystal paper`_), and further extend the physics `using plugins`_. Thermal
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scattering kernels are generated on the fly from dynamic and structural data, or
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loaded from :math:`S(\alpha,\beta)` tables converted from ENDF6 evaluations.
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These kernels are sampled in a direct way using a fast `rejection algorithm`_
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that does not require previous processing. A `large library`_ of materials is
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already included in the NCrystal distribution, and new materials can be easily
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defined from scratch in the `NCMAT format`_ or `combining existing files`_.
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The compositions of the materials defined in NCrystal are passed on to OpenMC all other reactions
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except for thermal neutron scattering are handled by continuous energy ACE libraries.
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The compositions of the materials defined in NCrystal are passed on to OpenMC
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all other reactions except for thermal neutron scattering are handled by
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continuous energy ACE libraries.
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----------------
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Multi-Group Data
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@ -274,9 +274,10 @@ Prerequisites
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* NCrystal_ library for defining materials with enhanced thermal neutron transport
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Adding this option allows the creation of materials from NCrystal, which
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replaces the scattering kernel treatment of ACE files with a modular, on-the-fly approach.
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To use it `install <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and
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`initialize <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_
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replaces the scattering kernel treatment of ACE files with a modular,
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on-the-fly approach. To use it `install
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<https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and `initialize
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<https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_
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NCrystal and turn on the option in the CMake configuration step:
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cmake -DOPENMC_USE_NCRYSTAL=on ..
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@ -374,8 +375,8 @@ OPENMC_USE_DAGMC
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(Default: off)
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OPENMC_USE_NCRYSTAL
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Turns on support for NCrystal materials. NCrystal must be
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`installed <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and
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Turns on support for NCrystal materials. NCrystal must be
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`installed <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and
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`initialized <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_.
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(Default: off)
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@ -105,12 +105,14 @@ you would need to add hydrogen and oxygen to a material and then assign the
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Adding NCrystal materials
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-------------------------
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Additional support for thermal scattering can be added by using NCrystal_.
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The :meth:`Material.from_ncrystal` class method generates a :class:`openmc.Material` object from
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an `NCrystal configuration string <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#uniform-material-configuration-syntax>`_.
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Temperature, material composition, and density are passed from the configuration string
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and the `NCMAT file <https://github.com/mctools/ncrystal/wiki/NCMAT-format>`_
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that define the material, e.g.::
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Additional support for thermal scattering can be added by using NCrystal_. The
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:meth:`Material.from_ncrystal` class method generates a :class:`openmc.Material`
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object from an `NCrystal configuration string
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<https://github.com/mctools/ncrystal/wiki/Using-NCrystal#uniform-material-configuration-syntax>`_.
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Temperature, material composition, and density are passed from the configuration
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string and the `NCMAT file
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<https://github.com/mctools/ncrystal/wiki/NCMAT-format>`_ that define the
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material, e.g.::
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mat = openmc.Material.from_ncrystal('Al_sg225.ncmat;temp=300K')
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@ -125,12 +127,12 @@ defines a material containing polycrystalline alumnium,
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defines an oriented germanium single crystal with 40 arcsec mosaicity.
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NCrystal only handles low energy neutron interactions. Other interactions are
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provided by standard ACE files. NCrystal_ comes with a `predefined library
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provided by standard ACE files. NCrystal_ comes with a `predefined library
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<https://github.com/mctools/ncrystal/wiki/Data-library>`_ but more materials can
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be added by creating NCMAT files or on-the-fly in the configuration string.
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.. warning:: Currently, NCrystal_ materials cannot be modified after they are created.
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Density, temperature and composition should be defined in the
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.. warning:: Currently, NCrystal_ materials cannot be modified after they are created.
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Density, temperature and composition should be defined in the
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configuration string or the NCMAT file.
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.. _NCrystal: https://github.com/mctools/ncrystal
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