openmc.data.AtomicRelaxation

class openmc.data.AtomicRelaxation(binding_energy, num_electrons, transitions)[source]

Atomic relaxation data.

This class stores the binding energy, number of electrons, and electron transitions possible from ioniziation for each electron subshell of an atom. All of the data originates from an ENDF-6 atomic relaxation sub-library (NSUB=6). Instances of this class are not normally instantiated directly but rather created using the factory method \(AtomicRelaxation.from_endf\).

Parameters
  • binding_energy (dict) – Dictionary indicating the binding energy in eV (values) for given subshells (keys). The subshells should be given as strings, e.g., ‘K’, ‘L1’, ‘L2’, etc.

  • num_electrons (dict) – Dictionary indicating the number of electrons in a subshell when neutral (values) for given subshells (keys). The subshells should be given as strings, e.g., ‘K’, ‘L1’, ‘L2’, etc.

  • transitions (pandas.DataFrame) – Dictionary indicating allowed transitions and their probabilities (values) for given subshells (keys). The subshells should be given as strings, e.g., ‘K’, ‘L1’, ‘L2’, etc. The transitions are represented as a DataFrame with columns indicating the secondary and tertiary subshell, the energy of the transition in eV, and the fractional probability of the transition.

Variables
  • binding_energy (dict) – Dictionary indicating the binding energy in eV (values) for given subshells (keys). The subshells should be given as strings, e.g., ‘K’, ‘L1’, ‘L2’, etc.

  • num_electrons (dict) – Dictionary indicating the number of electrons in a subshell when neutral (values) for given subshells (keys). The subshells should be given as strings, e.g., ‘K’, ‘L1’, ‘L2’, etc.

  • subshells (list) – List of subshells as strings, e.g. ['K', 'L1', ...]

  • transitions (pandas.DataFrame) – Dictionary indicating allowed transitions and their probabilities (values) for given subshells (keys). The subshells should be given as strings, e.g., ‘K’, ‘L1’, ‘L2’, etc. The transitions are represented as a DataFrame with columns indicating the secondary and tertiary subshell, the energy of the transition in eV, and the fractional probability of the transition.

See also

IncidentPhoton

classmethod from_ace(ace)[source]

Generate atomic relaxation data from an ACE file

Parameters

ace (openmc.data.ace.Table) – ACE table to read from

Returns

Atomic relaxation data

Return type

openmc.data.AtomicRelaxation

classmethod from_endf(ev_or_filename)[source]

Generate atomic relaxation data from an ENDF evaluation

Parameters

ev_or_filename (str or openmc.data.endf.Evaluation) – ENDF atomic relaxation evaluation to read from. If given as a string, it is assumed to be the filename for the ENDF file.

Returns

Atomic relaxation data

Return type

openmc.data.AtomicRelaxation

classmethod from_hdf5(group)[source]

Generate atomic relaxation data from an HDF5 group

Parameters

group (h5py.Group) – HDF5 group to read from

Returns

Atomic relaxation data

Return type

openmc.data.AtomicRelaxation

to_hdf5(group, shell)[source]

Write atomic relaxation data to an HDF5 group

Parameters
  • group (h5py.Group) – HDF5 group to write to

  • shell (str) – The subshell to write data for