Thermal neutron capture time and spectra disagreement with NNDC data for 12C

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Geant4 Version:11.4.0
Operating System: MacOS
Compiler/Version: Apple clang version 17.0.0
CMake Version: cmake version 3.30.5


Dear all,
I apologise if I am duplicating subjects but I haven’t found an answer to the behaviour I am seeing.
I am running a simulation where neutron are generated in a liquid scintillator (LAB) and I am looking at the energy spectrum of the emitted capture gammas as well as the neutron capture time.
For H, the energy of the gamma looks correct and in good agreement with NNDC data base. However, for capture on 12C the energy spectrum has peaks that should have very low intensity with respect to NNDC data base. Moreover, the capture time is ~400us where it should be around 200us for neutron capture in liquid scintillator.
I am using the QGSP_BERT_HP and HadronElasticPhysicsHP physics lists to describe the neutron.

Is this known behaviour and is there a way to correct it?

Hi @Matthieu_Lecocq

Thank you for your detailed post. From the release notes of version 11.3 [1], the physics list QGSP_BERT_HP may not be suitable for physics studies.

Could you please try with other physics list like QGSP_BIC_HP? The NuDex model [2] can be enabled [3] with this physics list since version 11.4 [4]. Could please try it out?

thank you for your time.

Best,

Alvaro

[1] geant4/ReleaseNotes/ReleaseNotes.11.3.html at b4a16de652ec244f7a0ecc0a5cacfee21930bf75 · Geant4/geant4 · GitHub
[2] NuDEX — Physics Reference Manual 11.4 documentation
[3] geant4/examples/extended/hadronic/Hadr01/Hadr01.cc at b4a16de652ec244f7a0ecc0a5cacfee21930bf75 · Geant4/geant4 · GitHub

[4] geant4/ReleaseNotes/ReleaseNotes.11.4.html at b4a16de652ec244f7a0ecc0a5cacfee21930bf75 · Geant4/geant4 · GitHub

Hi @atolosad

Thank you for your reply! I tried using QGSP_BIC_HP (without NuDEX), and the neutron time is now correct but the energy spectrum for 12C is not.
I am now enabling NuDEX, but an error is raised because it cannot find the correct file in LevelDensities. What version of G4NUDEXLIB is required for Geant4 v11.4.0? I am using v.1.0 that I downloaded here: Download Geant4-11.4.0 - Geant4

Matthieu

Hi @Matthieu_Lecocq

It might be a missing environmental variable. I installed the library using the CMake option, and I can see it in the list of datasets:

geant4-config --datasets
G4NDL G4NEUTRONHPDATA /usr/local/g4data/G4NDL4.7.1
G4EMLOW G4LEDATA /usr/local/g4data/G4EMLOW8.8
PhotonEvaporation G4LEVELGAMMADATA /usr/local/g4data/PhotonEvaporation6.1.2
RadioactiveDecay G4RADIOACTIVEDATA /usr/local/g4data/RadioactiveDecay6.1.2
G4PARTICLEXS G4PARTICLEXSDATA /usr/local/g4data/G4PARTICLEXS4.2
G4PII G4PIIDATA /usr/local/g4data/G4PII1.3
RealSurface G4REALSURFACEDATA /usr/local/g4data/RealSurface2.2
G4SAIDDATA G4SAIDXSDATA /usr/local/g4data/G4SAIDDATA2.0
G4ABLA G4ABLADATA /usr/local/g4data/G4ABLA3.3
G4INCL G4INCLDATA /usr/local/g4data/G4INCL1.3
G4ENSDFSTATE G4ENSDFSTATEDATA /usr/local/g4data/G4ENSDFSTATE3.0
G4CHANNELING G4CHANNELINGDATA /usr/local/g4data/G4CHANNELING2.0
G4NUDEXLIB G4NUDEXLIBDATA /usr/local/g4data/G4NUDEXLIB1.0

Could you please try to define the environmental variable that points to the data library, or simply enabling Nudex option in CMake?

Thank you for your time.

Best,

Alvaro

Hi @atolosad

The library is correctly listed in the datasets. However, I get this error:

If you have any idea on how to solve it, I’d greatly appreciate it.

Thank you for your help!

Matthieu

1 Like

Hello @atolosad,

I have made several tests to correct the wrong gamma rays from the neutron capture on C and found a new interesting behaviour. Using G4HadronPhysicsQGSP_BIC_HP, I changed the NeutronRadCaptureHP builder to NeutronHPCapture, and I get correct emitted gamma rays for neutron capture on C12:

However, if I am looking at the energy spectrum of the emitted gamma from the neutron capture on H with the same setup, I get a continuous spectrum instead of a ray at 2.223 MeV:


I found a similar report here: 2660 – Drastic neutron capture gamma changes in version 11.3.2

I was wondering how this behaviour can be corrected?

Thanks for your help!

Matthieu

Here, a macro for Hadr03, results for H1 and C12, and plots.

jeff.mac.txt (411 Bytes)

jeff-H1.out.txt (3.2 KB)

jeff-C12.out.txt (3.2 KB)

Hi @maire1,

Thank you for this message! I am attaching the spectrum from NNDC:


The gamma rays are a bit different. Am I misunderstanding something?

1 Like

A good question for @ribon , @pico , @civanch and others …

Hello,

Comparing NNDC and G4 I notice the following regarding gamma transition (in keV):

4095 (into G.S emitting 4095 full) <-- seems OK
1856 (into 3089 which decay emitting 3089) <-- both too intense in G4
1261 (into 3684 which may decay emitting 595+3089 or 3684 full) <-- not enough of both

Looking at the corresponding C13 entry from the Geant4 datafile. The 12C(n,g) level `(4946.33 5)` (parenthesis from ENSDF) is missing. So the entire population and emission is handled somewhere else. I have to see in more detail

/Pico

Hello @pico,

Thank you very much for checking this!
Please let me know if there is a quick way to fix it.

Thanks for your help!
Matthieu

Hi @Matthieu_Lecocq ,

One solution is downgrade. I see issues with neutron capture gammas in both 11.3 and 11.4 (even though the bug report is marked as fixed in 11.4). Things look correct in 10.7. The bug report suggests that anything <=11.2 would work.

I suppose you could also try just replacing the data files from an older version but I have no idea if that’s likely to work.

Hi @bloer,

Thank you for your suggestion!
For now, I bypassed the issue by “hardcoding” the value of the hydrogen capture gamma ray in the code. I hope a quick fix can be done soon…

Matthieu

Hi @Matthieu_Lecocq , how do you fixed the n-H gamma emission? I’m having the same issue using 11.4 and nudex, however it seems also related to the physics list QGSP_BIC_HP. Using another physics list, for example Shielding_HPT produce the “expected” output for neutron captures on hydrogen. The problem is that nudex is not working for this physics list.

Thanks in advance for your feedback.

Luis

Hello Luis,

Unfortunately, I never managed to make it work using Nudex. Actually, I have some issues running my simulations with Nudex and ended up using NeutronHPCapture and reading a .txt file for the n-H gamma energy.

Matthieu

@civanch can this problem be solved for QGSP_BIC_HP? or is there a work around?

Hello again,

Looking at the code, the work around I found is editing the: G4NUDEXLIB1.0/KnownLevels/levels-param.data

Specifically the line for 2H and just set a value higher that 3.22 for Umax. This removes the warning: “No level density and level scheme not complete … Ecrit = 0 MeV … MaxExcEnergy = 3.22457 MeV“ and just produce a single gamma with the correct energy. Now there is new warning: “############## NuDEX: WARNING, there are no thermal capture for ZA=1001 , with Sn = 2.22457 ##############“ but it seems to work.

Maybe the developers can fix this ”bug”?