diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst index 0b87913e51..2cafa86916 100644 --- a/docs/source/methods/cross_sections.rst +++ b/docs/source/methods/cross_sections.rst @@ -182,19 +182,22 @@ been selected. There are three methods available: NCrystal materials ------------------ -As an alternative of the standard thermal scattering treatment using :math:`S(\alpha,\beta)` -tables, OpenMC allows to create materials using NCrystal_. In addition to the regular thermal elastic, -and thermal inelastic processes, NCrystal allows the generation of models for materials that -cannot currently included in ACE files such as oriented single crystals (see the `NCrystal paper`_), -and further extend the physics `using plugins`_. Thermal scattering kernels are generated on -the fly from dynamic and structural data, or loaded from :math:`S(\alpha,\beta)` tables converted -from ENDF6 evaluations. These kernels are sampled in a direct way using a fast `rejection algorithm`_ -that does not require previous processing. A `large library`_ of materials is already included in -the NCrystal distribution, and new materials can be easily defined from scratch in the `NCMAT format`_ -or `combining existing files`_. +As an alternative of the standard thermal scattering treatment using +:math:`S(\alpha,\beta)` tables, OpenMC allows to create materials using +NCrystal_. In addition to the regular thermal elastic, and thermal inelastic +processes, NCrystal allows the generation of models for materials that cannot +currently included in ACE files such as oriented single crystals (see the +`NCrystal paper`_), and further extend the physics `using plugins`_. Thermal +scattering kernels are generated on the fly from dynamic and structural data, or +loaded from :math:`S(\alpha,\beta)` tables converted from ENDF6 evaluations. +These kernels are sampled in a direct way using a fast `rejection algorithm`_ +that does not require previous processing. A `large library`_ of materials is +already included in the NCrystal distribution, and new materials can be easily +defined from scratch in the `NCMAT format`_ or `combining existing files`_. -The compositions of the materials defined in NCrystal are passed on to OpenMC all other reactions -except for thermal neutron scattering are handled by continuous energy ACE libraries. +The compositions of the materials defined in NCrystal are passed on to OpenMC +all other reactions except for thermal neutron scattering are handled by +continuous energy ACE libraries. ---------------- Multi-Group Data diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst index 9e5ba1ffd9..537dda8248 100644 --- a/docs/source/usersguide/install.rst +++ b/docs/source/usersguide/install.rst @@ -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 `_ and - `initialize `_ + replaces the scattering kernel treatment of ACE files with a modular, + on-the-fly approach. To use it `install + `_ and `initialize + `_ 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 `_ and + Turns on support for NCrystal materials. NCrystal must be + `installed `_ and `initialized `_. (Default: off) diff --git a/docs/source/usersguide/materials.rst b/docs/source/usersguide/materials.rst index fbf9effd89..83af558057 100644 --- a/docs/source/usersguide/materials.rst +++ b/docs/source/usersguide/materials.rst @@ -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 `_. -Temperature, material composition, and density are passed from the configuration string -and the `NCMAT file `_ -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 +`_. +Temperature, material composition, and density are passed from the configuration +string and the `NCMAT file +`_ 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 `_ 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 diff --git a/include/openmc/physics.h b/include/openmc/physics.h index 382f0f0dd2..6e7327d381 100644 --- a/include/openmc/physics.h +++ b/include/openmc/physics.h @@ -96,8 +96,9 @@ void inelastic_scatter(const Nuclide& nuc, const Reaction& rx, Particle& p); void sample_secondary_photons(Particle& p, int i_nuclide); -// ！Split or Roulette particles based their weight and the lower weight window -// bound. +//! Split or Roulette particles based their weight and the lower weight window +//! bound. +// //! \param[in] p, particle to be split or rouletted with the weight window. void split_particle(Particle& p); diff --git a/tests/regression_tests/ncrystal/test.py b/tests/regression_tests/ncrystal/test.py index 2a789dac78..cb6421b034 100644 --- a/tests/regression_tests/ncrystal/test.py +++ b/tests/regression_tests/ncrystal/test.py @@ -1,3 +1,5 @@ +from math import pi + import numpy as np import openmc import openmc.lib @@ -9,6 +11,7 @@ pytestmark = pytest.mark.skipif( not openmc.lib._ncrystal_enabled(), reason="NCrystal materials are not enabled.") + def pencil_beam_model(cfg, E0, N): """Return an openmc.Model() object for a monoenergetic pencil beam hitting a 1 mm sphere filled with the material defined by @@ -24,7 +27,7 @@ def pencil_beam_model(cfg, E0, N): sample_sphere = openmc.Sphere(r=0.1) outer_sphere = openmc.Sphere(r=100, boundary_type="vacuum") cell1 = openmc.Cell(region=-sample_sphere, fill=m1) - cell2_region= +sample_sphere & -outer_sphere + cell2_region = +sample_sphere & -outer_sphere cell2 = openmc.Cell(region=cell2_region, fill=None) geometry = openmc.Geometry([cell1, cell2]) @@ -48,7 +51,7 @@ def pencil_beam_model(cfg, E0, N): tally1 = openmc.Tally(name="angular distribution") tally1.scores = ["current"] filter1 = openmc.SurfaceFilter(sample_sphere) - filter2 = openmc.PolarFilter(np.linspace(0, np.pi, 180+1)) + filter2 = openmc.PolarFilter(np.linspace(0, pi, 180+1)) filter3 = openmc.CellFromFilter(cell1) tally1.filters = [filter1, filter2, filter3] tallies = openmc.Tallies([tally1]) @@ -66,11 +69,12 @@ class NCrystalTest(PyAPITestHarness): df = tal.get_pandas_dataframe() return df.to_string() + def test_ncrystal(): - NParticles = 100000 - T = 293.6 # K - E0 = 0.012 # eV + n_particles = 100000 + T = 293.6 # K + E0 = 0.012 # eV cfg = 'Al_sg225.ncmat' - test = pencil_beam_model(cfg, E0, NParticles) + test = pencil_beam_model(cfg, E0, n_particles) harness = NCrystalTest('statepoint.10.h5', model=test) harness.main()