njoy / NJOY2016

Nuclear data processing with legacy NJOY
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Triton production through mt105 in B10 from ENDF/B-VIII.0 #100

Closed whaeck closed 6 years ago

whaeck commented 6 years ago

An issue was uncovered in gaspr concerning the charged particle production cros ssections when the original ENDF tape does not contain the summation cross section when individual levels are present.

Cfr the following email from @kahlerac on the issue: All, Late yesterday Valentin came to me to say he'd spoken incorrectly about the 10B(n,a) issue. Rather in 10B it was tritium, not alpha that was two times to large. My initial look at the output I created seemed to (once again) contradict this assertion as the tritium production in mt205 and the tritium production in my ACE file were in agreement. However, when I looked at the (admittedly tiny) NJOY/GASPR output where a table of original mt's that contribute to the respective mt203 through mt207 is given I was surprised to see it indicated both mt105 and mt700 were processed to obtain GASPR's mt205. This should not happen since mt105 is redundant to the sum of mt700 through mt749. So why did the code logic apparently fail in this instance? It turns out that in the original 10B endf file we have data in (i) mt103 and mt600 to mt605, (ii) mt107 and mt800 & mt801, and (iii) mt700 but no mt105. GASPR properly recognizes the mt103 and mt107 redundancy but with no mt105 section there is no redundancy to discover. You might then ask "how can there be a problem?". Well, in reconr processing we know that mt103 through mt107 are redundant if mt 600 and above are present and, beginning with NJOY2012, to guarantee consistency the redundant mt103 through mt107 are recalculated before being written to the pendf tape. Therefore in the "pendf world" we end up with an mt105 section because of something being found in the mt700 to mt749 range. Hence when we get to GASPR we have an original endf tape with mt700 and without mt105 and a pendf tape with both mt105 and mt700. It is the original endf tape's dictionary that is used to determine what mt's GASPR should omit but it is the pendf tape that is read and processed to create mt203 through mt207. Since mt105 doesn't exist on the original endf tape there is no "omit" flag set for the mt700 to mt749 interval and in the pendf world we process both mt105 and mt700 to obtain mt205 ... which is now twice what it should be. For 235U it is an (n,a) issue as there we have a suite of mt800's and no mt107 on the original endf tape. I seem to recall from endf/b-vi.0 days that there were only a handful of technically unimportant evaluations that omitted one or more of mt103 to mt107 while providing mt600 and above; hopefully that remains true in endf/b-viii.0 because the sad reality is that for everyone of those evaluations where this is true we have incorrect gas production data, :(. I wonder whether TENDL consistently provides (or omits) mt103 through mt107 when providing mt600 and above? I expect that the fix will be to simply review the pendf dictionary rather than the endf dictionary but I'm sure Jeremy and Wim will want to study (and test) this more completely. Skip

whaeck commented 6 years ago

Multiple solutions are possible for this issue. By default (since NJOY2012), reconr will add the summation cross section when only individual levels are present. As such we can assume that the summation cross section will always be present on the PENDF tape.

The logic present in GASPR can thus be significantly simplified by explicitly skipping the individual levels by themselves. There will no longer be any need to set any flags indicating which section to use.

whaeck commented 6 years ago

The issue can be reproduced using the following inputs:

input.txt b10-endf80.txt

whaeck commented 6 years ago

Small side note: the correction of this issue will also have a minor influence on the alpha production for B10 as well. Emission of a triton after absorption of a neutron leads to Be8, which breaks up into 2 alpha particles.

I did observe the presence of mt113, which is n,t2a. At higher energies (above 1.1 MeV), this mt113 is actually equal to mt105=mt700. I doubt that this is a simple coincidence. At lower energies, mt113 actually appears to be slightly larger than mt105.

b10-113-700

kahlerac commented 6 years ago

hmmm ... check out the comments at the beginning of the e80 10B evaluation by LLNL and BNL. mt700 has been added (wasn't in e71 and earlier) but we've still got mt113. Are things being double counted? --- Skip

On Tue, Sep 11, 2018 at 6:38 PM Wim Haeck notifications@github.com wrote:

Small side note: the correction of this issue will also have a minor influence on the alpha production for B10 as well. Emission of a triton after absorption of a neutron leads to Be8, which breaks up into 2 alpha particles.

I did observe the presence of mt113, which is n,t2a. At higher energies, this mt113 is actually equal to mt105=mt700. I doubt that this is a simple coincidence. At lower energies, mt113 actually appears to be slightly larger than mt105.

[image: b10-113-700] https://user-images.githubusercontent.com/18539456/45391611-dd020900-b5e0-11e8-918f-a5f0b025dec5.png

— You are receiving this because you were mentioned. Reply to this email directly, view it on GitHub https://github.com/njoy/NJOY2016/issues/100#issuecomment-420449889, or mute the thread https://github.com/notifications/unsubscribe-auth/AQ6USUL31g5Sl9niUwQCr6nTiw8B8DyNks5uaDtpgaJpZM4Wj0tQ .

-- Dr. A. C. (Skip) Kahler Kahler Nuclear Data Services, LLC kahler3ac@gmail.com +1 321 368 3645

whaeck commented 6 years ago

From what I gather from the comments in the file, they changed mt113 to mt700 but it would appear they actually forgot to remove mt113. What I still don't understand is that in ENDF/B-VII.1, mt113 is the same as the mt113 in ENDF/B-VIII.0. So if mt700 is mt113, then why is the cross section below 1.1 MeV so different?

kahlerac commented 6 years ago

... and what's even stranger is that in e80b4 where only Dave Brown's comments have been added the mt113 section was removed. See attached. Well this has moved to be beyond an NJOY issue and needs to be clarified by Dave, Caleb and who knows who! Maybe bring one or both of them into this thread? --- Skip

On Wed, Sep 12, 2018 at 9:23 AM Wim Haeck notifications@github.com wrote:

From what I gather from the comments in the file, they changed mt113 to mt700 but it would appear they actually forgot to remove mt113. What I still don't understand is that in ENDF/B-VII.1, mt113 is the same as the mt113 in ENDF/B-VIII.0. So if mt700 is mt113, then why is the cross section below 1.1 MeV so different?

— You are receiving this because you were mentioned. Reply to this email directly, view it on GitHub https://github.com/njoy/NJOY2016/issues/100#issuecomment-420646182, or mute the thread https://github.com/notifications/unsubscribe-auth/AQ6USc2izdd3B-BoTlpJhw1z-A1URdkGks5uaQrKgaJpZM4Wj0tQ .

-- Dr. A. C. (Skip) Kahler Kahler Nuclear Data Services, LLC kahler3ac@gmail.com +1 321 368 3645

paulromano commented 6 years ago

Pinging @brown170 @mattooca

whaeck commented 6 years ago

@paulromano Someone's paying attention ;-)

I opened a tracker item on the NNDC gforge concerning this issue.

paulromano commented 6 years ago

Always lurking in the background here :) Also, I'm curious if this issue has anything to do with #50, but it's not obvious that it would.

whaeck commented 6 years ago

I don't think so, but I would have to look at that one in more detail to be sure.

brown170 commented 6 years ago

Looks like data bug. I assigned it to Caleb and I, so this way I can feel like I'm being responsible and proactive while ignoring the problem.

whaeck commented 6 years ago

Solved in #101

This does not include the MT700/MT113 issue.