neutronics_material_maker

A tool for making reproducible materials and standardizing use across several neutronics codes

https://github.com/fusion-energy/neutronics_material_maker

Science Score: 54.0%

This score indicates how likely this project is to be science-related based on various indicators:

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CITATION.cff file
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codemeta.json file
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2 of 25 committers (8.0%) from academic institutions
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Scientific vocabulary similarity
Low similarity (13.6%) to scientific vocabulary

Keywords

database fispact library material mcnp neutrons openmc serpent

Keywords from Contributors

neutronics photons dagmc containerised flux fusion learning nuclear simulations spectrum

Last synced: 6 months ago · JSON representation ·

Repository

A tool for making reproducible materials and standardizing use across several neutronics codes

Basic Info

Host: GitHub
Owner: fusion-energy
License: mit
Language: Python
Default Branch: main
Homepage: https://neutronics-material-maker.readthedocs.io
Size: 28.3 MB

Statistics

Stars: 24
Watchers: 2
Forks: 13
Open Issues: 2
Releases: 10

Topics

database fispact library material mcnp neutrons openmc serpent

Created over 4 years ago · Last pushed over 1 year ago

Metadata Files

Readme License Citation

Neutronics Material Maker

The aim of this project is to facilitate the creation of materials for use in neutronics codes such as OpenMC, Serpent, MCNP and Fispact.

The hope is that by having this collection of materials it is easier to reuse materials across projects, use a common source with less room for user error.

One nice aspect of this material maker is the ability to change the density of a material based on isotope enrichment (e.g. inbuild lithium ceramics), temperature and pressure.

:point_right: Documentation

:point_right: Video presentation

Installation

Conda

To use the code you will need to have OpenMC installed OpenMC.

The recommended method is to install from Conda Forge which also installs all the dependencies including OpenMC.

bash conda create --name new_env python=3.8 conda activate new_env conda install neutronics_material_maker -c conda-forge

Pip

Alternatively the code can be easily installed using pip. This method doesn't currently include OpenMC so that will have to be installed separately using Conda or compiled.

bash pip install neutronics_material_maker

To include the optional capability of calculating the density of coolants additional packages are needed (CoolProp). A slightly modified pip install is required in this case. bash pip install "neutronics_material_maker[density]"

Features

Materials for using in neutronics codes have two main aspects; a list of isotopes along with their abundance and the material density.

This code contains an internal collection of materials with their isotope abundances and densities (sometimes temperature, pressure and enrichment dependant), but you may also import your own materials collection.

Usage - Finding Available Materials

Each of the materials available is stored in an internal dictionary that can be accessed using the AvailableMaterials() command.

python import neutronics_material_maker as nmm all_materials = nmm.AvailableMaterials() print(all_materials.keys())

Usage - Material()

python import neutronics_material_maker as nmm my_mat = nmm.Material( name='my_custom_material', isotopes={'Li6':0.5, 'Li7':0.5}, density=2.01, percent_type='ao', density_unit='g/cm3' ) my_mat.openmc_material

Usage - Material from library

Here is an example that accesses a material from the internal collection called eurofer which has about 60 isotopes of a density of 7.78g/cm3.

python import neutronics_material_maker as nmm my_mat = nmm.Material.from_library('eurofer') my_mat.openmc_material

Usage - Hot Pressurised Material

For several materials within the collection the temperature and the pressure impacts the density of the material. The neutronicsmaterialmaker adjusts the density to take temperature and the pressure into account when appropriate. Densities are calculated either by a material specific formula (for example FLiBe) or using CoolProps (for example coolants)

python import neutronics_material_maker as nmm my_mat1 = nmm.Material.from_library(name='H2O', temperature=600, pressure=15e6) my_mat1.openmc_material

For several materials within the collection the density is adjusted when the material is enriched. For breeder blankets in fusion it is common to enrich the lithium 6 content.

Usage - Enriched Material

Lithium ceramics used in fusion breeder blankets often contain enriched lithium-6 content. This slight change in density is accounted for by the neutronicsmaterialmaker.

python import neutronics_material_maker as nmm my_mat2 = nmm.Material.from_library(name='Li4SiO4', enrichment=60) my_mat2.openmc_material

Usage - Material.from_mixture

Materials can also be mixed together using the frommixture method. This accepts a list of ```neutronicsmaterial_maker.Materialsoropenmc.Material``` objects along with the material fractions (fracs).

python import neutronics_material_maker as nmm my_mat1 = nmm.Material.from_library(name='Li4SiO4', packing_fraction=0.64) my_mat2 = nmm.Material.from_library(name='Be12Ti') my_mat3 = nmm.Material.from_mixture(materials=[my_mat1, my_mat2], fracs=[0.4, 0.6], percent_type='vo') my_mat3.openmc_material

Usage - Importing Your Own Material Library

Assuming you have a JSON file saved as mat_lib.json containing materials defined in the same format as the exisiting materials then you can import this file into the package using AddMaterialFromFile(). Another option is to use AddMaterialFromDir() to import a directory of json files.

python import neutronics_material_maker as nmm nmm.AddMaterialFromFile('mat_lib.json') nmm.AvailableMaterials() # this will print the new larger list of materials

Usage - Exporting To Different Neutronics Codes

You can export to OpenMC, Serpent, MCNP and Fispact with the appropiate arguments.

```python import neutronicsmaterialmaker as nmm mymat = nmm.Materialfromlibrary('tungsten')

openmc

mymat.openmcmaterial

mcnp - required a material_id to be set

mymat.materialid = 1 mymat.mcnpmaterial

serpent

mymat.serpentmaterial

fispact - requires volume to be specified

mymat.volumeincm3 = 1 / mymat.density mymat.fispactmaterial ```

Further Examples

Further examples can be found in the neutronics workshop task 11 and in the Documentation

Acknowledgement

Inspired by software projects Pyne and making use of OpenMC functionality and the JSON file format and PNNL for many definitions.

Owner

Name: Fusion Energy
Login: fusion-energy
Kind: organization

Repositories: 29
Profile: https://github.com/fusion-energy

A collection of software projects related to fusion energy

Citation (CITATION.cff)

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: "Shimwell"
  given-names: "Jonathan"
  orcid: "https://orcid.org/0000-0001-6909-0946"
- family-names: "Billingsley"
  given-names: "John"
- family-names: "Coleman"
  given-names: "Matti"
- family-names: "Whan Bae"
  given-names: "Jin"
- family-names: "León Hernández"
  given-names: "Daniel"
- family-names: "Worrall"
  given-names: "Ross"
- family-names: "Katie"
  given-names: "Taylor"
- family-names: "Anurag"
  given-names: "Saigiridhari"
- family-names: "Ariful"
  given-names: "Islam Pranto"
title: "Neutronics Material Maker: A tool for making reproducible materials and standardizing use across several neutronics codes "
version: 1.0.2
date-released: 2021-9-13
url: "https://github.com/fusion-energy/neutronics_material_maker"

GitHub Events

Total

Watch event: 4
Fork event: 1

Last Year

Watch event: 4
Fork event: 1

Committers

Last synced: almost 3 years ago

All Time

Total Commits: 618
Total Committers: 25
Avg Commits per committer: 24.72
Development Distribution Score (DDS): 0.689

Past Year

Commits: 9
Committers: 3
Avg Commits per committer: 3.0
Development Distribution Score (DDS): 0.333

Top Committers

Name	Email	Commits
Jon	m**l@j**m	192
Jonathan Shimwell	j**l@u**k	125
Jonathan Shimwell	j**l@u**a	66
shimwell	s**l@y**m	65
autopep8	a**8@u**m	54
Jonathan Shimwell	j**l@u**k	41
billingsley-john	j**6@y**m	20
Matti Coleman	m**n@g**m	15
Matti Coleman	m**6@g**k	9
Ross Worrall	r**l@u**k	5
shimwell	s**l@u**m	4
Jin Whan Bae	n**e@g**m	3
daleher	d**3@g**m	3
Ross Allen	3**o@u**m	2
Ross Worrall	r**l@e**)	2
Steve Bradnam	s**m@e**)	2
Steve Lilley	p**l@u**m	2
katie-taylor	5**r@u**m	1
Ariful Islam Pranto	p**3@g**m	1
Jin Whan Bae	b**j@o**v	1
Jonathan Shimwell	d**l@g**m	1
katet	k**r@u**k	1
Ross Worrall	3**l@u**m	1
Saigiridhari, Anurag	a**i@u**k	1
DanShort12	6**2@u**m	1

Committer Domains (Top 20 + Academic)

ukaea.uk: 5 erik000.(none): 2 ornl.gov: 1 g0693.eng.cam.ac.uk: 1 jshimwell.com: 1

Issues and Pull Requests

Last synced: 6 months ago

All Time

Total issues: 7
Total pull requests: 38
Average time to close issues: about 14 hours
Average time to close pull requests: 10 days
Total issue authors: 6
Total pull request authors: 8
Average comments per issue: 2.29
Average comments per pull request: 0.68
Merged pull requests: 33
Bot issues: 0
Bot pull requests: 0

Past Year

Issues: 0
Pull requests: 1
Average time to close issues: N/A
Average time to close pull requests: about 11 hours
Issue authors: 0
Pull request authors: 1
Average comments per issue: 0
Average comments per pull request: 1.0
Merged pull requests: 1
Bot issues: 0
Bot pull requests: 0

View more stats

Top Authors

Issue Authors

py1sl (2)
shimwell (1)
RemDelaporteMathurin (1)
P-S-S-M (1)
repositony (1)

Pull Request Authors

shimwell (30)
RossWorrall (3)
repositony (2)
paulromano (2)
mwart-cfs (1)
generein (1)
py1sl (1)
Allentro (1)

Top Labels

Issue Labels

Pull Request Labels

Packages

Total packages: 2
Total downloads:
- pypi 2,166 last-month

Total dependent packages: 1
(may contain duplicates)
Total dependent repositories: 4
(may contain duplicates)
Total versions: 55
Total maintainers: 4

pypi.org: neutronics-material-maker

A tool for making reproducible materials and standardizing use across several neutronics codes

Homepage: https://github.com/fusion-energy/neutronics_material_maker
Documentation: https://neutronics-material-maker.readthedocs.io/
License: MIT License Copyright (c) 2020 UKAEA and neutronics-material-maker contributors Copyright (c) 2021 neutronics-material-maker contributors Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Latest release: 1.2.1
published over 1 year ago

Versions: 33
Dependent Packages: 1
Dependent Repositories: 4
Downloads: 2,166 Last month

Rankings

Dependent packages count: 3.3%

Dependent repos count: 7.7%

Average: 9.7%

Downloads: 10.7%

Forks count: 11.0%

Stargazers count: 16.0%

Maintainers (4)

billingsley-john openmcworkshop shimwell jshim

Last synced: 6 months ago

conda-forge.org: neutronics_material_maker

The aim of this project is to facilitate the creation of materials for use in neutronics codes such as OpenMC, Serpent, MCNP and Fispact.

Homepage: https://github.com/fusion-energy/neutronics_material_maker
License: MIT
Latest release: 1.1.1
published almost 4 years ago

Versions: 22
Dependent Packages: 0
Dependent Repositories: 0

Rankings

Forks count: 49.4%

Average: 49.9%

Stargazers count: 50.5%

Last synced: 6 months ago

Dependencies

.github/workflows/black.yml actions

actions/checkout v2 composite
actions/setup-python v2 composite
stefanzweifel/git-auto-commit-action v4 composite

.github/workflows/python-publish-testpypi.yml actions

actions/checkout v2 composite
actions/setup-python v2 composite

.github/workflows/python-publish.yml actions

actions/checkout v2 composite
actions/setup-python v2 composite

Dockerfile docker

continuumio/miniconda3 4.9.2 build

pyproject.toml pypi

asteval >=0.9.20

.github/workflows/ci_with_install.yml actions

actions/checkout v4 composite
conda-incubator/setup-miniconda v3 composite

docs/environment.yml conda

openmc
python 3.8.*

environment.yml conda

openmc

neutronics_material_maker

Science Score: 54.0%

Keywords

Keywords from Contributors

Repository

Basic Info

Statistics

Topics

Metadata Files

README.md

Neutronics Material Maker

Installation

Conda

Pip

Features

Usage - Finding Available Materials

Usage - Material()

Usage - Material from library

Usage - Hot Pressurised Material

Usage - Enriched Material

Usage - Material.from_mixture

Usage - Importing Your Own Material Library

Usage - Exporting To Different Neutronics Codes

openmc

mcnp - required a material_id to be set

serpent

fispact - requires volume to be specified

Further Examples

Acknowledgement

Owner

Citation (CITATION.cff)

GitHub Events

Total

Last Year

Committers

All Time

Past Year

Top Committers

Committer Domains (Top 20 + Academic)

Issues and Pull Requests

All Time

Past Year

Top Authors

Issue Authors

Pull Request Authors

Top Labels

Issue Labels

Pull Request Labels

Packages

pypi.org: neutronics-material-maker

Rankings

Maintainers (4)

conda-forge.org: neutronics_material_maker

Rankings

Dependencies