Add decay heat function in material by jiankai-yu · Pull Request #2287 · openmc-dev/openmc

jiankai-yu · 2022-10-31T16:48:43Z

Recently I have been asked to extract decay heat from depleted materials. This PR is to add get_decayheat() function apart from get_activity() function in material. Its implementation is based on decay_energy.json, just like half_life.json for activity extraction. The extraction of decay heat from depleted materials can be done like this:


import openmc
import openmc.deplete
from openmc.deplete import chain 

chain = chain.Chain.from_xml('./chain_endfb80.xml')
nucs_all = [i.name for i in chain.nuclides]

depletion_results = openmc.deplete.Results('depletion_results.h5')
all_decayheats = []
time_steps = depletion_results.get_times('s')

for counter in range(0, len(time_steps)):
    materials_at_timestep = depletion_results.export_to_materials(burnup_index=counter, nuc_with_data=nucs_all)
    decayheat = 0.0
    for material in materials_at_timestep:
        decayheat += material.get_decayheat(units='W')
    all_decayheats.append(decayheat)

The unit test is also borrowed from activity's test and adjusted to decay heat.
Any comment is welcome.

shimwell · 2022-11-01T15:29:49Z

Thanks for making this PR, I am keen to see such a feature adding. Nice work

I've made a few tiny comments for your consideration.

The main thing I am wondering about is. Should we get the decay energy from a chain_file.xml instead of an additional json file. This would allow us to separate the decay heat for different particles and be consistent with the decay data. With decay data from separate particles we could compare with plots like these

jiankai-yu · 2022-11-01T17:56:37Z

Thanks for making this PR, I am keen to see such a feature adding. Nice work

I've made a few tiny comments for your consideration.

The main thing I am wondering about is. Should we get the decay energy from a chain_file.xml instead of an additional json file. This would allow us to separate the decay heat for different particles and be consistent with the decay data. With decay data from separate particles we could compare with plots like these

Thanks for your comments.
Can I do this way? For instance, add an optional argument for get_decayheat(decay_energy=decay_energy), and decay_energy can be prepared by users like this:

import xml.etree.ElementTree as ET
decay_energy = {}
tree = ET.parse('./chain_endfb80.xml')
for elem in tree.iter():
    if elem.tag == 'nuclide':
        if 'decay_energy' in elem.keys():
            decay_energy[elem.get('name').lower()] = float(elem.get('decay_energy'))

paulromano

Thanks for the updates @jiankai-yu! A few more small changes and this should be good to go.

paulromano

Thanks for the updates @jiankai-yu! One final thing I forgot to mention before -- can you add the openmc.data.decay_energy function to docs/source/pythonapi/data.rst so that it is included in the documentation? Namely, in this section:
https://github.com/openmc-dev/openmc/blob/develop/docs/source/pythonapi/data.rst#core-functions

jiankai-yu · 2022-11-17T15:30:47Z

Thanks for the updates @jiankai-yu! One final thing I forgot to mention before -- can you add the openmc.data.decay_energy function to docs/source/pythonapi/data.rst so that it is included in the documentation? Namely, in this section: https://github.com/openmc-dev/openmc/blob/develop/docs/source/pythonapi/data.rst#core-functions

Added. Thanks for your reminder.

* add decay heat in material.py * add decay_energy.json into eggs * fix a bug when returned decay_ery is None * add unit test for decayheat * fix typo in doc string * address reviewer's comments * add user defined decay energy * remove json for decay energy * address a few comments * add to docs

jiankai-yu added 5 commits October 13, 2022 09:41

add decay heat in material.py

dbe06ba

add decay_energy.json into eggs

d0acd4d

fix a bug when returned decay_ery is None

33d7db4

add unit test for decayheat

e8d3509

fix typo in doc string

98137c9

jiankai-yu requested a review from paulromano as a code owner October 31, 2022 16:48