Documentation of the parameter file format for the release models

The parameter files used by the ReleaseModelParameters class are documented here.

The release models are parametrized by two files: a yaml file controlling the general behavior and the release rates, and a csv file referred to by the yaml file which sets the inventory and the distribution of the inventory onto the different waste components

Parameters of the BaseReleaseModel

release_parameters.yaml

The following code block shows a documented example:

#the first fields contain meta data that are only interpreted by humans
#the name of the model
model:  test1
#date of creation
date:   22.07.22
#author
author: name of the author
#comment
comment: a comment

#the list of nuclides to consider; if not VSG, a list has to be given, 
#i.e. 
#nuclides: [I-129, Cl-36]
nuclides: VSG

#parameters steering the release from waste forms
release_parameters:
   #time before the canisters break
   breaching_time: 1e4 yr
   #the release rate of radionuclides from the fuel matrix
   matrix_release_rate: 1e-6/yr
   #the release rate of radionuclides from the cladding
   cladding_release_rate: 1e-5/yr
   #the release rate of radionuclides from vitrified waste
   vitrified_lifetime: 1e5 yr

#parameters for the inventory and the distribution of radionuclides onto the different waste types are given here
nuclide_parameters:
    #specifies the csv file to read the parameters from
    from_file: nuclide_parameters.csv
 
#options
#if true, ignore decay inside the waste forms. Note that this does not affect the treatment of decay in the near/far field.
ignore_decay: False
#the nuclide database with the half-lifes, decay chains, ... to be used.
nuclide_database: VSG

nuclide_parameters.csv

The file is a semicolon-separated csv file with commas as decimal seoarator (German number format, e.g 1,76 for 1.76). The following columns must be defined:

nuclide: name of the nuclide
matrix_fraction: the fraction of the nuclide that is present in the fuel matrix
cladding_fraction: the fraction of the nuclide that is present in the cladding
vitrified_fraction: the fraction of the nuclide that is present as vitrified waste
instant_release_fraction: the fraction of the inventory to be release instantaneously
inventory: the total amount of this radionuclide in the deposit, in mol

Note that matrix, cladding, and vitrified fraction sum up to one; the instant release fraction is considered separately.

Parameters of the CompositeReleaseModel

the CompositeReleaseModel bundles two or more BaseReleaseModel. This can be useful if one wants to consider different types of waste canister.

composite_release_model.yaml

The following shows an example of the parameter file.

model:  composite_test
date:   25.10.22
author: name of author
comment: this is a short test

# global parameters for all release models considered in this composite.
nuclides: VSG
ignore_decay: False
nuclide_database: VSG

# a list of BaseReleaseModel parameter sets, providing the path to the relevant yaml file 
release_models:
    - model1: release_parameters.yaml
    - model2: release_parameters.yaml

# the weight of each release model
weights:
    - 0.5
    - 0.5