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Paul Romano 2023-01-10 10:39:22 +07:00
parent 62af773108
commit 4eda693133
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11
docs/source/usersguide/install.rst
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@ -274,9 +274,10 @@ Prerequisites
* NCrystal_ library for defining materials with enhanced thermal neutron transport
Adding this option allows the creation of materials from NCrystal, which
replaces the scattering kernel treatment of ACE files with a modular, on-the-fly approach.
To use it `install <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and
`initialize <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_
replaces the scattering kernel treatment of ACE files with a modular,
on-the-fly approach. To use it `install
<https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and `initialize
<https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_
NCrystal and turn on the option in the CMake configuration step:
cmake -DOPENMC_USE_NCRYSTAL=on ..
@ -374,8 +375,8 @@ OPENMC_USE_DAGMC
(Default: off)
OPENMC_USE_NCRYSTAL
Turns on support for NCrystal materials. NCrystal must be
`installed <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and
Turns on support for NCrystal materials. NCrystal must be
`installed <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and
`initialized <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_.
(Default: off)

20
docs/source/usersguide/materials.rst
View file

@ -105,12 +105,14 @@ you would need to add hydrogen and oxygen to a material and then assign the
Adding NCrystal materials
-------------------------
Additional support for thermal scattering can be added by using NCrystal_.
The :meth:`Material.from_ncrystal` class method generates a :class:`openmc.Material` object from
an `NCrystal configuration string <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#uniform-material-configuration-syntax>`_.
Temperature, material composition, and density are passed from the configuration string
and the `NCMAT file <https://github.com/mctools/ncrystal/wiki/NCMAT-format>`_
that define the material, e.g.::
Additional support for thermal scattering can be added by using NCrystal_. The
:meth:`Material.from_ncrystal` class method generates a :class:`openmc.Material`
object from an `NCrystal configuration string
<https://github.com/mctools/ncrystal/wiki/Using-NCrystal#uniform-material-configuration-syntax>`_.
Temperature, material composition, and density are passed from the configuration
string and the `NCMAT file
<https://github.com/mctools/ncrystal/wiki/NCMAT-format>`_ that define the
material, e.g.::
mat = openmc.Material.from_ncrystal('Al_sg225.ncmat;temp=300K')
@ -125,12 +127,12 @@ defines a material containing polycrystalline alumnium,
defines an oriented germanium single crystal with 40 arcsec mosaicity.
NCrystal only handles low energy neutron interactions. Other interactions are
provided by standard ACE files. NCrystal_ comes with a `predefined library
provided by standard ACE files. NCrystal_ comes with a `predefined library
<https://github.com/mctools/ncrystal/wiki/Data-library>`_ but more materials can
be added by creating NCMAT files or on-the-fly in the configuration string.
.. warning:: Currently, NCrystal_ materials cannot be modified after they are created.
Density, temperature and composition should be defined in the
.. warning:: Currently, NCrystal_ materials cannot be modified after they are created.
Density, temperature and composition should be defined in the
configuration string or the NCMAT file.
.. _NCrystal: https://github.com/mctools/ncrystal