mixx.tex

\section{MIXR}
\label{sMIXR}

\hypertarget{sMIXRhy}{The}
MIXR module will construct a new PENDF tape with a specified set of
reactions that are linear combinations of the cross sections
on the input tapes.  MIXR can also be used for ENDF tapes, but the
input interpolation laws are ignored.  The output file contains
ENDF File 1 and File 3 sections only, and linear-linear interpolation
is assumed.
\index{MIXR|textbf}

MIXR can be used for several purposes.  When combined with
\hyperlink{sPLOTRhy}{PLOTR},
it can be used to construct mixed cross sections for plotting with
\hyperlink{sVIEWRhy}{VIEWR}.  One example would be to combine
the isotopic cross sections
given in modern evaluations into elemental cross sections
\index{elemental cross sections} for comparison with older evaluated elemental
data such as found, for example, in ENDF/B-V.  Such an example is provided
in the sample deck below.  Another would be to compute the
difference between two versions of a particular reaction;
plots that simultaneously show one version of a function and
the difference between that version and another are sometimes very
revealing.  In both cases, the mixed cross section is computed on
the union grid of its components, and all details are preserved.

Another use for MIXR would be to prepare a new ENDF material to
represent a particular ``enriched uranium,'' having a particular
amount of $^{235}$U mixed with $^{238}$U.  This file could then
be run through the \hyperlink{sGROUPRhy}{GROUPR}\index{GROUPR}
flux calculator\index{flux calculator} to generate an accurate
pointwise flux for enriched uranium mixed with water, or for
pins of enriched uranium in a typical reactor lattice.  This
computed flux could then be used as the
weighting flux\index{weighting flux} for
computing the self-shielded cross sections of both $^{235}$U and
$^{238}$U in two subsequent
\hyperlink{sGROUPRhy}{GROUPR} runs.  This approach handles
the interference between resonances in $^{235}$U and $^{238}$U
accurately, including proper treatment of all wide and
intermediate resonance effects.
\index{resonance interference}
\index{intermediate resonance effects}

This chapter describes the MIXR module in NJOY2016.0.

\subsection{User Input}
\label{ssMIXR_inp}

The following input instructions were copied from the comment cards
at the beginning of the MIXR source.  It is always a good idea to
check the cards in the current version of the program for possible
changes.
\index{MIXR!MIXR input}
\index{input!MIXR}

\newpage
\small
\begin{ccode}

   !  user input --
   !
   !  card 1  --  units
   !     nout      output unit for mixed cross sections
   !     nin1      first input unit (endf or pendf)
   !     nin2      second input unit
   !      ...      continue for nnin<=nninmx (=10) input units
   !
   !  card 2  --  reaction list
   !      mtn       list of nmt<=nmtmx (=20) mt numbers for
   !                the output reactions
   !
   !  card 3  --  material list
   !     matn,     list of nmat<=nmatmx (=nninmx=10) pairs (matn,wtn)
   !      wtn,     of material numbers and associated weighting factors
   !
   !  card 4  --  temperature
   !     temp      temperature (use zero except for pendf tapes)
   !
   !  card 5  --  output material
   !     matd      material number
   !     za        za value
   !     awr       awr value
   !
   !  card 6  --  file 1 comment card
   !     des      description (66 char max)
   !
   !-------------------------------------------------------------------

\end{ccode}
\normalsize

\paragraph{Card 1.}
This card gives the unit numbers for
the output that will contain the mixed cross sections and the
input files that contain the materials to be mixed together.
Note that there is a limit of \cword{nninmx}, currently 10, input files.

\paragraph{Card 2.}
The code currently allows up to \cword{nmtmx}, currently 20,
mixed reactions to be generated.  This card contains a list of
the MT numbers for these reactions.  The number of reactions
is counted automatically.

\paragraph{Card 3.}
This card (it may continue onto several
lines) contains the MAT numbers and weights for the materials to
be mixed.  The first pair \cword{matn}, \cword{wtn} refers to the
data on input file \cword{nin1}; the next pair is for \cword{nin2},
etc.

\paragraph{Card 4.}
The same temperature is used for all of
the materials, and its value is given on this card in Kelvin.  The
appropriate value for ENDF tapes is zero.  The temperatures used
for PENDF cases must be in the set included on the PENDF tape.

\paragraph{Card 5.}
This card gives some values that are
needed to construct the ENDF or PENDF file for the output material.
\cword{matd} is the conventional material number.  \cword{za}
is $1000*Z+A$, where $Z$ is the charge number and $A$ is the atomic
mass number for the mixture.  Finally, \cword{awr} is the mass ratio
to the neutron for the mixture.

\paragraph{Card 6.}  This card contains one line of text to be
used for the Hollerith descriptive information in MF=1/MT=451
on the new ENDF tape for the fixture.  The final tape on
\cword{NOUT} will contain the section MF=1/MT=451 and sections
MF=3/MT=MT$_n$ only.

\vspace{6.0 pt}
The following sample input deck combines the four isotopes of iron
to generate plots for the total cross section (MT=1), the
\index{plotting}
\index{energy-balance heating}
\index{radiation damage}
energy-balance heating cross section (MT=301), and the
radiation damage cross section (MT=444).  See the
\hyperlink{sPLOTRhy}{PLOTR}
section of this report for more information on the part of
the input deck that produces the actual graphs.

\small
\begin{ccode}

cfs get tape21:/pendf/5/fe/natr2
cfs get tape22:/pendf/6/fe/54
cfs get tape23:/pendf/6/fe/56
cfs get tape24:/pendf/6/fe/57
cfs get tape25:/pendf/6/fe/58
cat>input <<EOF
 mixr
 20 -22 -23 -24 -25/
 1 301 444/
 2625 .0590/
 2631 .9172/
 2634 .0210/
 2637 .0028/
 300/
 2600 26000 56./
 'Fe-nat for ENDF/B-VI from MIXR'/
 plotr
 31/
 /
 1/
 'ENDF/B-VI IRON'/
 'TOTAL'/
 1 0 2 1 13e6 9./
 0 20e6 2e6/
 /
 0 10 2/
 /
 6 20 2600 3 1 300/
 /
 'ENDF/B-VI'/
 2/
 5 -21 1326 3 1 300/
 0 0 4/
 'ENDF/B-V'/
 1/
 'ENDF/B-VI IRON'/
 'TOTAL'/
 4 0 2 1/
 1e2 1e5/
 /
 /
 /
 6 20 2600 3 1 300/
 /
 'ENDF/B-VI'/
 2/
 5 -21 1326 3 1 300/
 0 0 4/
 'ENDF/B-V'/
 1/
 'ENDF/B-VI IRON'/
 'HEATING CHECK'/
 1 0 2 1 1e6 2.7e6/
 0 20e6 2e6/
 /
 0 3e6 .5e6/
 *Heating (eV-barns)'/
 6 20 2600 3 301 300/
 /
 'ENDF/B-VI'/
 3/
 5 -21 1326 3 301 300/
 0 0 4/
 'ENDF/B-V'/
 1/
 'ENDF/B-VI IRON'/
 'DAMAGE CHECK'/
 1 0 2 1 13e6 7e4/
 0 20e6 2e6/
 /
 0 35e4 5e4/
 'Damage (eV-barns)'/
 6 20 2600 3 444 300/
 /
 'ENDF/B-VI'/
 3/
 5 -21 1326 3 444 300/
 0 0 4/
 'ENDF/B-V'/
 99/
 viewr
 31 32/
 stop
EOF
xnjoy<input
cfs store  plot:/pendf/6/fe/natplot

\end{ccode}
\normalsize

\noindent
The first few lines retrieve ENDF/B-V version of $^{nat}$Fe, and
the four iron isotopes for ENDF/B-VI.  A c-shell ``here file'' is
then created with the input for MIXR,
\hyperlink{sPLOTRhy}{PLOTR}, and \hyperlink{sVIEWRhy}{VIEWR}.   The
lines after the \cword{EOF} line take care of executing NJOY and
saving the plot file for future use.

Returning to the actual NJOY input cards, note that the MIXR output
will be on \cword{tape20} in ASCII mode, and the four isotopic input
files (in binary mode) will be on \cword{tape22} through \cword{tape25}.
The next input card lists the three reaction types to be written onto
the output file; it is followed by four cards giving the isotope
MAT numbers and the atomic fractions that they are to have in the
mixture.  These mix-specification cards are then followed by a card
asking for a temperature of 300K.

The last two cards in the MIXR section specify the ENDF parameters
for the mixed material that will be written on \cword{tape20}.
The MAT number is to be 2600 (the standard ENDF-6 value for natural
iron), the ZA value is to be 26000, and the AWR value is to be
56.0000 (a rather crude choice).  The text line shown will appear
in MF=1/MT=451 on the output tape.

At this point, the MIXR module will run and produce its output
file.  The rest of the input deck reads in this output file and
makes a graphical comparison of the mixed elemental cross section
with the corresponding elemental values from ENDF/B-V.

\subsection{Coding Details}
\label{ssMIXR_details}

Subroutine \cword{mixr} is exported by module
\cword{mixm}\index{modules!mixm@{\ty mixm}}.
The heart of MIXR is subroutine \cword{gety}\index{gety@{\ty gety}}.
It is similar to \cword{gety1}\index{gety1@{\ty gety1}} in the
\cword{endf}\index{modules!endf@{\ty endf}} module, except
that it works with several TAB1 records in parallel.  The routine
is initialized for up to \cword{nmtmx} input TAB1 records
on up to \cword{nninmx} input tapes
by calling it with \cword{x}=0 for each tape.  It returns the value of
\cword{xnext} for each tabulation.  The calling program can
compare these \cword{xnext} values to determine the lowest
energy point for the mixed reaction (the threshold).

On subsequent calls with \cword{x}$>$0, MIXR returns the value of
\cword{y} corresponding to \cword{x} for the specified tabulation,
and it also computes \cword{xnext} for this tabulation.  The
calling program can loop through all the input tapes, compute
the mixed value of \cword{y} as a linear combination of the
separate \cword{gety} results, and compute the next energy
grid point as the lowest of the values of \cword{xnext} returned
by the separate \cword{gety} calls.  In this way, the mixed
results are obtained on a unionized grid, and no features are lost.

To do its job, \cword{gety} has to keep tables of the current
location and related parameters on each of the input tapes.  These
tables will be found in the subroutine, all with dimension \cword{nninmx}.


\subsection{Error Messages}
\label{ssMIXR_msg}

%\vspace{12pt}
\begin{description}
\begin{singlespace}

\item[\cword{error in mixr***mat and temp not found}] ~\par
There is an inconsistency between the requested \cword{matn} and
\cword{temp} values and the materials found on the input files
\cword{nin1}, \cword{nin2}, ....

\item[\cword{message from mixr***mt=xxx not present for mat=xxxx}] ~\par
This message is just information.  If the user asked for construction
of, for example, an (n,2n) reaction for an element, and if one of the isotopes
did not have an (n,2n) reaction, this message would be issued.

\item[\cword{error in gety***not properly initialized}] ~\par
The subroutine \cword{gety} has to be called with \cword{x}=0 for
each material/section combination to be introduced into the mixed
reaction before it is called with \cword{x}$>$0.

\end{singlespace}
\end{description}

\cleardoublepage