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processing all reactions for ENDF 7.1 chain file#84

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processing all reactions for ENDF 7.1 chain file#84
shimwell wants to merge 1 commit intomasteropenmc-dev/data:masterfrom
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@shimwell shimwell commented Jul 5, 2023

as mentioned in issue #83 it is perhaps best to include all the reactions in the chain files

This PR adds a arguments to the processing script when it calls chain.from_endf so that all the reactions are included in the chain file

I am going to implement these changes over on my fork that has evolved into a package 😄 as well but wanted to help keep this repo up to date

@shimwell shimwell changed the title processing all reactions for EDNF 7.1 chain file processing all reactions for ENDF 7.1 chain file Jul 5, 2023
@paulromano
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@shimwell Despite my comments in #83, I don't recommend that we add all reactions right now. Currently, including all reactions is going to result in very high memory usage for depletion calculations because OpenMC will create reaction rate tallies for every reaction present. The first thing we need is a way for the reactions to be configured when running a depletion calculation (i.e., one can specify a subset of the reactions to be included).

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shimwell commented Jul 5, 2023

Yes that makes sense, I guess we come back to this PR in the future.

In the meantime I'm going to run a few of depletion simulations and see how much RAM is needed for my own specific cases.

In one case I just have an Al27 vessel as the only depletable material. So that might not need too much RAM. I see that Al reactions go from 4 to 15 so it should give me a better answer.

  <nuclide name="Al27" reactions="4">
    <reaction type="(n,2n)" Q="-13058200.0" target="Al26"/>
    <reaction type="(n,gamma)" Q="7725200.0" target="Al28"/>
    <reaction type="(n,p)" Q="-1828549.0" target="Mg27"/>
    <reaction type="(n,a)" Q="-3130330.0" target="Na24"/>
  </nuclide>

to

  <nuclide name="Al27" reactions="15">
    <reaction type="(n,2n)" Q="-13058200.0" target="Al26"/>
    <reaction type="(n,na)" Q="-10089800.0" target="Na23"/>
    <reaction type="(n,np)" Q="-8272130.0" target="Mg26"/>
    <reaction type="(n,nd)" Q="-17140200.0" target="Mg25"/>
    <reaction type="(n,nt)" Q="-18213600.0" target="Mg24"/>
    <reaction type="(n,npa)" Q="-18883900.0" target="Ne22"/>
    <reaction type="(n,gamma)" Q="7725200.0" target="Al28"/>
    <reaction type="(n,p)" Q="-1828549.0" target="Mg27"/>
    <reaction type="(n,d)" Q="-6047544.0" target="Mg26"/>
    <reaction type="(n,t)" Q="-10882930.0" target="Mg25"/>
    <reaction type="(n,a)" Q="-3130330.0" target="Na24"/>
    <reaction type="(n,2a)" Q="-13958300.0" target="F20"/>
    <reaction type="(n,2p)" Q="-16799900.0" target="Na26"/>
    <reaction type="(n,pa)" Q="-13683800.0" target="Ne23"/>
    <reaction type="(n,da)" Q="-16659400.0" target="Ne22"/>
  </nuclide>

@shimwell shimwell marked this pull request as draft July 18, 2023 14:57
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