Re: [fluka-discuss]: COMPOUND card error

From: <alfredo.ferrari_at_mi.infn.it>
Date: Fri, 16 Jul 2021 08:36:31 +0200

Dear Niklas

your problem derives from the fact that Fluka assumes compositions "per
atom" and not "per molecule" when making a compound of a compound. So in
Water "one atom" is 1/3 H2O and hence the result you get.
This behaviour could appear counter-intuitive, however for complex
molecules, or for materials with a non standard isotopic composition there
is no obvious way for the code to behave otherwise, It is important for
all users to be well aware of this behaviour, we shall stress it better
in the manual in a future respin.

You can easily define your compound as in the example attached. I checked
and it works as expected.

I also corrected the PART-THR card where you were asking 10^-5 eV as
threshold for all particles, while it makes sense for neutrons only, for
the other particles typically it is 1 keV the minimum energy (100 eV
for photons). It was immaterial because the code was anyway raising
those thresholds to the minimum allowed.

Ciao
Alfredo

> Dear FLUKA experts,
>
>
> I want to obtain the gamma self-absorption factors for different primary
> photon energies. Therefore, I use a quite simple geometry with the sample
> surrounded by a spherical surface detector (USRBDX). The sample is made of
> samarium(III) chloride heptahydrate (SmCl37H2O). I have defined chlorine
> and samarium with a MATERIAL card and linked them together with
> pre-defined water by means of a COMPOUND card. The results are wrong, and
> the output file (see attachment, line 1603) shows that the compound is
> made wrong, i.e. the atomic number and weight are incorrect as well as the
> atom content of samarium in the compound is wrong in the output. I have
> also tried to define the compound by means of mass fractions instead of
> relative atom contents as well as with hydrogen and oxygen instead of
> pre-defined water, but unfortunately this did not solve the problem. I
> have attached my input file as well as the output file.
>
>
> It would be very helpful, if you could give me some hints what might be
> the problem. Thanks in advance.
>
>
> Kind regards,
>
>
> Niklas Ophoven
>
>
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Received on Fri Jul 16 2021 - 10:27:49 CEST

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