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 (dict of str to 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.