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radiasoft / sirepo

Sirepo is a framework for scientific cloud computing. Try it out!
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20230531 PNNL Materials Compendium #5710

Open mkeilman opened 1 year ago

mkeilman commented 1 year ago

This task was specifically called out in the Phase 2 narrative.

The existing PNNL PDF, containing material definitions for MCNP, should be parsed and stored in a database accessible by the materials Definitions.

I can think of two ways of doing this:

  1. In the Component drop-box, selecting a new PNNL Materials item will pop up a new drop-box with a list of the materials. This could work with a hierarchical nesting structure using a few drop-boxes. i.e. a user selects "concrete" in an intermediate drop-box and a new drop-box presents the different specific varieties of concrete. In this method, the user doesn't see the specific nuclide breakdown of the set of materials.
  2. A PNNL Materials Compendium option at the top level, which allows users to select specific materials, and the nuclides and their relative fractions are automatically filled in below.

We can discuss which would be the best from the user's perspective, or if there is a 3rd way of doing it.

moellep commented 3 months ago

Here is the PNNL document: https://www.pnnl.gov/main/publications/external/technical_reports/PNNL-15870Rev2.pdf

moellep commented 2 months ago

Look at this library as well: https://github.com/pyne/materials-compendium

moellep commented 2 months ago

We've decided to use this library, which will remain compatible with any openmc changes in the future: https://github.com/fusion-energy/neutronics_material_maker/