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diff --git a/doc/IGE344/SectACR.tex b/doc/IGE344/SectACR.tex new file mode 100644 index 0000000..0e0fdec --- /dev/null +++ b/doc/IGE344/SectACR.tex @@ -0,0 +1,322 @@ +\subsection{The {\tt ACR:} module}\label{sect:ACRData} + +The APOLLO2 Portable data EXchange file (APEX) contains the results obtained by a set of APOLLO2 calculation steps as well as restart data. + +The APEX file is written in {\sc hdf5} format, allowing full portability and hierarchical data organization. It can be edited and modified using +the HDFView tool. + +This file constitutes a natural boundary between the spectral code and the downstream codes. Particularly, it contains all the data needed by the +code in charge of cross-sections (XS) library generation for 3D core simulators. +Each elementary calculation is characterized by a set of parameters. Parameterization allows external codes building their own XS representation +by defining XS dependencies through appropriate functions or laws. For instance, standard parameters for PWR reactors are burn-up, water temperature, +water density, boron concentration, xenon concentration, fuel temperature and history parameters. BWR specific parameters are instant void fraction and +void history. + +This component of DONJON is dedicated to the interpolation of {\sc macrolib} data from an APEX file, the reactor database produced by APOLLO2-A.\cite{apollo2A} +A set of {\sl global parameters} are defined for each material mixture and used as multi-dimensional interpolation variables. + +\vskip 0.02cm + +The calling specifications are: + +\begin{DataStructure}{Structure \dstr{ACR:}} +\dusa{MLIB}~\moc{:=}~\moc{ACR:}~$[~\{$~\dusa{MLIB} $|$ \dusa{MLIB2}~$\}~]$ \dusa{APXNAM1} $[[$~\dusa{APXNAM2}~$]]~[$~\dusa{MAPFL}~$]$~\moc{::}~\dstr{acr\_data} \\ +\end{DataStructure} + +\noindent where +\begin{ListeDeDescription}{mmmmmmm} + +\item[\dusa{MLIB}] {\tt character*12} name of a {\sc microlib} (type {\tt L\_LIBRARY}) or {\sc macrolib} (type {\tt L\_MACROLIB}) containing the interpolated data. +If this object also appears on the RHS of structure \dstr{ACR:}, it is open in modification mode and updated. + +\item[\dusa{MLIB2}] {\tt character*12} name of an optional {\sc microlib} object whose content is copied on \dusa{MLIB}. + +\item[\dusa{APXNAM1}] {\tt character*12} name of the {\sc hdf5} file containing the {\sc apex} data structure. + +\item[\dusa{APXNAM2}] {\tt character*12} name of an additional {\sc hdf5} file containing an auxiliary +{\sc apex} data structure. This object is optional. + +\item[\dusa{MAPFL}] {\tt character*12} name of the {\sc map} object containing fuel regions description, global parameter +information (burnup, fuel/coolant temperatures, coolant density, etc). Keyword \moc{TABLE} is expected in \dstr{acr\_data}. + +\item[\dusa{acr\_data}] input data structure containing interpolation information (see \Sect{descacr}). + +\end{ListeDeDescription} + +\subsubsection{Interpolation data input for module {\tt ACR:}}\label{sect:descacr} + +\vskip -0.5cm + +\begin{DataStructure}{Structure \dstr{acr\_data}} +$[$~\moc{EDIT} \dusa{iprint}~$]$ \\ +$[$~\moc{RES} $]~[$~\moc{PURE}~$]~[$~\moc{UPS}~$]$ \\ +$[~\{$~\moc{MACRO}~$|$~\moc{MICRO}~$[$ \moc{TOTAL} $]~\}~]~[~\{$~\moc{LINEAR}~$|$~\moc{CUBIC}~$\}~]~[$~\moc{LEAK}~\dusa{b2}~$]~[$~\moc{EQUI}~\dusa{text80}~$]$ \\ +$[$~\moc{NMIX} \dusa{nmixt}~$]$ \\ +$\{~[[$~\moc{APEX} \dusa{APXNAM} \dstr{ACRdescints}~$]]~|~[[$~\moc{TABLE} \dusa{APXNAM} $[$ \dusa{namburn} $[$ \dusa{naval} $]~]$ \dstr{ACRdescints}~$]]~\}$ \\ +$[$ \dstr{descdepl} $]$ \\ +{\tt ;} +\end{DataStructure} + +\noindent where +\begin{ListeDeDescription}{mmmmmmmm} + +\item[\moc{EDIT}] keyword used to set \dusa{iprint}. + +\item[\dusa{iprint}] index used to control the printing in module {\tt ACR:}. =0 for no print; =1 for minimum printing (default value). + +\item[\moc{RES}] keyword indicating that the interpolation is done only for the microscopic cross sections and not for the isotopic densities. In this case, a RHS {\sc microlib} must be defined and the number densities are recovered from it. This option is useful for micro-depletion applications. {\bf Important note:} It is possible to force interpolation of some isotopic densities with \moc{RES} option if these +isotopes are explicitely specified with a ``\moc{*}'' flag after \moc{MICRO} keyword in \dusa{ACRdescints} input data structure (see \Sect{ACRdescints}). + +\item[\moc{PURE}] keyword indicating that the interpolation is a pure linear combination of terp factors. The fission spectra are {\sl not} +renormalized. By default, non-linear effects are produced by renormalization operations. + +\item[\moc{UPS}] keyword to specify that the macrolib and/or microlib cross sections recovered from an APEX file are +corrected so as to eliminate up-scattering. This option is useful for reactor analysis codes which cannot +take into account such cross sections. + +\item[\moc{MACRO}] keyword indicating that \dusa{MLIB} is a {\sc macrolib} (default option). + +\item[\moc{MICRO}] keyword indicating that \dusa{MLIB} is a {\sc microlib}. Object \dusa{MLIB} contains an embedded {\sc macrolib}, but the CPU time required to obtain it is longer. + +\item[\moc{TOTAL}] keyword to force using the total macroscopic set {\tt xs/mac/TOTAL} of the Apex file. By default, the residual +macroscopic set {\tt xs/mac/RESIDUAL} is used together with microscopic cross-section information available in the {\tt xs/mic/} group. + +\item[\moc{LINEAR}] keyword indicating that interpolation of the {\sc apex} uses linear Lagrange polynomials (default option). + +\item[\moc{CUBIC}] keyword indicating that interpolation of the {\sc apex} uses the Ceschino method +with cubic Hermite polynomials, as presented in Ref.~\citen{Intech2011}. + +\item[\moc{LEAK}] keyword used to introduce leakage in the embedded {\sc macrolib}. This option should only be used for non-regression tests. + +\item[\dusa{b2}] the imposed buckling corresponding to the leakage. + +\item[\moc{EQUI}] keyword used to select a SPH factor set in the Apex file. By default, the cross sections and diffusion coefficients +are not SPH-corrected. + +\item[\dusa{text80}] {\tt character*80} name of the SPH factor set. + +\item[\moc{NMIX}] keyword used to define the maximum number of material mixtures. This information is required only if \dusa{MLIB} is created. + +\item[\dusa{nmixt}] the maximum number of mixtures (a mixture is characterized by a distinct set of +macroscopic cross sections) the {\sc macrolib} may contain. The default value is \dusa{nmixt} $=0$ or the value recovered from \dusa{MLIB} if it appears on the RHS +of structure \dstr{acr\_data}. + +\item[\moc{APEX}] keyword used to set \dusa{APXNAM} and to define each global parameter. + +\item[\moc{TABLE}] keyword used to set \dusa{APXNAM} and to recover some global parameter from a {\sc map} object named \dusa{MAPFL}. + +\item[\dusa{APXNAM}] {\tt character*12} name of the {\sc lcm} object containing the +{\sc apex} data structure where the interpolation is performed. This name must be set in the RHS of structure \dstr{ACR:}. + +\item[\dusa{namburn}] {\tt character*24} name of the parameter for burnup (or irradiation). +This value is defined if option \moc{TABLE} is set {\sl and} if burnup (or irradiation) is to be considered as parameter. + +\item[\dusa{naval}] {\tt character*4} identification name corresponding to the basic naval-coordinate position of the assembly where burnups are recovered. The axial burnup distribution of this assembly is +used for interpolation. {\tt SIM} option should be set in module {\tt RESINI:} (see Sect.~\ref{sect:resinimain}). This option is useful to interpolate reflector properties as a function of the +neighbour fuel assembly burnup. By default, burnup values of the interpolated fuel assembly are used. + +\item[\dusa{ACRdescints}] input data structure containing interpolation information relative to the {\sc apex} data structure named \dusa{APXNAM} (see \Sect{ACRdescints}). + +\item[\dstr{descdepl}] input structure describing the depletion chain (see \Sect{ACRdescdepld}). This input structure requires option \moc{MICRO}. By +default, the depletion chain data is not written in the output {\sc microlib}. + +\end{ListeDeDescription} + +\subsubsection{Defining global parameters}\label{sect:ACRdescints} + +\vskip -0.5cm + +If a {\sc map} object is defined on the RHS of structure \dstr{ACR:}, and if the \moc{TABLE} keyword is set, some information required to set the interpolation points is found in this object. +In this case, the {\tt ACR:} operator search the {\sc apex} file for global parameters having an arbitrary name specified in the {\sc map} object or set directly in this module. +Note that any parameter's value set directly in this module prevails on a value stored in the \dusa{MAPFL} object. + +Each instance of \dusa{ACRdescints} is a data structure specified as + +\begin{DataStructure}{Structure \dstr{ACRdescints}} +$[[$~\moc{MIX} \dusa{imix}~$[~\{$~\moc{FROM}~\dusa{imixold}~$|$~\moc{USE}~$\}~]$ \\ +~~~~~~$[~\{$~\moc{TIMAV-BURN} $|$ \moc{INST-BURN} $|$ \moc{AVG-EX-BURN}~\dusa{ivarty}~$\}~]$ \\ +~~~~~~$[[~\{$~\moc{SET} $|$ \moc{DELTA} $|$ \moc{ADD}~$\}~\}~[~\{$ \moc{LINEAR} $|$ \moc{CUBIC}~$\}~]$ \dusa{PARKEY} $\{$~\dusa{val1} $|$ \moc{MAP}~$\}~[~\{$~\dusa{val2} $|$ \moc{MAP}~$\}~]$ \\ +~~~~~~~~~~~~$[$~\moc{REF} $[[$~\dusa{PARKEY}~$\{$~\dusa{valref} $|$ \moc{SAMEASREF}~$\}$~$]]$~\moc{ENDREF}~$]~]]$ \\ +~~~~~~$[$~\moc{MICRO}~$\{$~\moc{ALL} $|$ \moc{ONLY}~$\}~[[$~\dusa{HISO} $\{$ \dusa{conc} $|$ \moc{*} $\}~[$ \moc{NOEV} $]~]]~]$ \\ +\moc{ENDMIX}~$]]$ +\end{DataStructure} + +\noindent where +\begin{ListeDeDescription}{mmmmmmmm} + +\item[\moc{MIX}] keyword used to set \dusa{imix}. + +\item[\dusa{imix}] index of the mixture that is to be created in the {\sc microlib} and {\sc macrolib}. + +\item[\moc{FROM}] keyword used to set the index of the mixture from group {\tt xs}//\dusa{imixold} in the {\sc apex} file. By default, group {\tt xs} is recovered. + +\item[\dusa{imixold}] index of the mixture that is recovered in the {\sc apex} file. + +\item[\moc{USE}] keyword used to set the index of the mixture from group {\tt xs}//\dusa{imix} in the {\sc apex} file. By default, group {\tt xs} is recovered. + +\item[\moc{TIMAV-BURN}] keyword used to compute time-averaged cross-section information. This option is available {\sl only if} a \dusa{MAPFL} object is set. +By default, the type of calculation (\moc{TIMAV-BURN} or \moc{INST-BURN}) is recovered from the \dusa{MAPFL} object. + +\item[\moc{INST-BURN}] keyword used to compute cross-section information at specific bundle burnups. This option is available {\sl only if} a \dusa{MAPFL} object is set. +By default, the type of calculation (\moc{TIMAV-BURN} or \moc{INST-BURN}) is recovered from the \dusa{MAPFL} object. + +\item[\moc{AVG-EX-BURN}] keyword used to compute the derivatives of cross-section information relative to the exit burnup of a single combustion zone. The derivatives are computed using Eq.~(3.3) of Ref.~\citen{chambon}, written as +$$ +{\partial \bar\Sigma_x\over \partial B_j^{\rm e}}={1\over B_j^{\rm e}\, (B_{j,k}^{\rm eoc}-B_{j,k}^{\rm boc})} +\left[- \int_{B_{j,k}^{\rm boc}}^{B_{j,k}^{\rm eoc}}dB \, \Sigma_x(B)+B_{j,k}^{\rm eoc}\, \Sigma_x(B_{j,k}^{\rm eoc})-B_{j,k}^{\rm boc}\, \Sigma_x(B_{j,k}^{\rm boc})\right] +$$ + +\noindent where $B_{j,k}^{\rm boc}$, $B_{j,k}^{\rm eoc}$, and $B_j^{\rm e}$ are the beginning of cycle burnup of bundle $\{j,k\}$, end of cycle burnup of bundle $\{j,k\}$ and exit burnup of channel $j$. This option is available {\sl only if} a \dusa{MAPFL} object is set. +By default, the type of calculation (\moc{TIMAV-BURN} or \moc{INST-BURN}) is recovered from the \dusa{MAPFL} object. + +\item[\dusa{ivarty}] index of the combustion zone for differentiation of cross-section information. + +\item[\moc{SET}] keyword used to indicate a simple interpolation at \dusa{val1} or an averaging between \dusa{val1} and \dusa{val2}. The result $\sigma_{\rm ref}$ is also used as the reference value when the \moc{ADD} is used. Note: see at the ending note of this section for a detailed description and examples. + +\item[\moc{DELTA}] keyword used to indicate a delta-sigma calculation between \dusa{val2} and \dusa{val1} +(i.e., $\Delta\sigma_{\rm ref}=\sigma_{\rm val2}-\sigma_{\rm val1}$ is computed). This keyword can be used only once in each mixture data block (initiated +with a \moc{MIX} keyword). Note: see at the ending note of this section for a detailed description and examples. + +\item[\moc{ADD}] keyword used to indicate a delta-sigma calculation between \dusa{val2} and \dusa{val1} is added to the reference value +(i.e., $\Delta\sigma=\sigma_{\rm val2}-\sigma_{\rm val1}$ is used as contribution, $\sigma_{\rm ref}+\Delta\sigma$ or $\Delta\sigma_{\rm ref}+\Delta\sigma$ is returned). Note: see at the ending note of this section for a detailed description and examples. + +\item[\moc{LINEAR}] keyword indicating that interpolation of the {\sc apex} for parameter \dusa{PARKEY} uses linear Lagrange +polynomials. It is possible to set different interpolation modes to different parameters. By default, the interpolation mode is set in Sect.~\ref{sect:descacr}. + +\item[\moc{CUBIC}] keyword indicating that interpolation of the {\sc apex} for parameter \dusa{PARKEY} uses the Ceschino method +with cubic Hermite polynomials, as presented in Ref.~\citen{Intech2011}. By default, the interpolation mode is set in Sect.~\ref{sect:descacr}. + +\item[\dusa{PARKEY}] {\tt character*24} user-defined keyword associated to a global +parameter to be set. + +\item[\dusa{val1}] value of a global parameter used to interpolate. \dusa{val1} is the initial value of this parameter in case an average is required. \dusa{val1} can be an integer, real or string value. + +\item[\dusa{val2}] value of the final global parameter. By default, a simple interpolation is performed, so that \dusa{val2}$=$\dusa{val1}. \dusa{val2} is always a real value with \dusa{val2}$\ge$\dusa{val1}. + +\item[\moc{MAP}] keyword used to indicate that the value of parameter \dusa{val1} or the second value for the $\Delta\sigma$ calculation is +recovered from \dusa{MAPFL}, i.e. the {\sc map} object containing fuel regions description. + +\item[\moc{REF}] keyword only available together with the \moc{ADD} option. It is used to set all the other variable values when a $\Delta$ contribution is performed for one variable. + +\item[\dusa{valref}] value of the reference parameter, when it is directly given by the user. Note that there is no default value. + +\item[\moc{SAMEASREF}] keyword used to specify that the reference value will be the same as in the refence case, i.e. for the $\sigma_{\rm ref}$ computation. + +\item[\moc{ENDREF}] keyword only available together with the \moc{ADD} option. It is used to specify that all the other variable values which are required are given. + +\item[\moc{MICRO}] keyword used to set the number densities of some isotopes present in the {\sc apex} file. The data statement ``\moc{MICRO} \moc{ALL}" is used by default. + +\item[\moc{ALL}] keyword to indicate that all the isotopes present in the {\sc apex} file will be used in the {\sc microlib} and {\sc macrolib} objects. Concentrations of these isotopes will be recovered from the {\sc apex} file or set using +the ``\dusa{HISO} \dusa{conc}" data statement. + +\item[\moc{ONLY}] keyword to indicate that only the isotopes set using the ``\dusa{HISO} \dusa{conc}" data statement will be used in the {\sc microlib} and {\sc macrolib} objects. + +\item[\dusa{HISO}] {\tt character*8} name of an isotope. + +\item[\dusa{conc}] user-defined value of the number density (in $10^{24}$ particles per ${\rm cm}^3$) of the isotope. + +\item[\moc{*}] the value of the number density for isotope \dusa{HISO} is recovered from the {\sc apex} file. + +\item[\moc{NOEV}] keyword to force the isotope \dusa{HISO} to be non-depleting. + +\item[\moc{ENDMIX}] end of specification keyword for the material mixture. + +\end{ListeDeDescription} + +\subsubsection{Depletion data structure}\label{sect:ACRdescdepld} + +Part of the depletion data used in the isotopic depletion calculation (the fission yields and the +radioactive decay constants) is recovered from the Apex file. Remaining depletion data is +recovered from the input data structure \dstr{descdepl}. This data describes the heredity of the radioactive decay +and the neutron activation chain. + +\begin{DataStructure}{Structure \dstr{descdepl}} +\moc{CHAIN} \\ +\hskip 0.3cm $[[$ \dusa{NAMDPL} $[$ \dusa{izae} $]$ \\ +\hskip 0.6cm $[[$ \dusa{reaction} $[$ \dusa{energy} $]~]]$ \\ +\hskip 0.6cm $[~\{$ \moc{STABLE} $|$ \moc{FROM} $[[~\{$ \moc{DECAY} $|$ \dusa{reaction} $\}$ +$[[$ \dusa{yield} \dusa{NAMPAR} $]]~]]~\}~]~]]$\\ +\moc{ENDCHAIN} +\end{DataStructure} + +\noindent +with: + +\begin{ListeDeDescription}{mmmmmm} + +\item[\moc{CHAIN}] keyword to specify the beginning of the depletion chain. + +\item[\dusa{NAMDPL}] {\tt character*12} name of an isotope (or isomer) of the +depletion chain that appears as a particularized isotope of the Apex file. + +\item[\dusa{izae}] optional six digit integer representing the isotope. The first two +digits represent the atomic number of the isotope; the next three indicate its +mass number and the last digit indicates the excitation level of the nucleus (0 +for a nucleus in its ground state, 1 for an isomer in its first exited state, +etc.). For example, $^{238}$U in its ground state will be represented by +\dusa{izae}=922380. + +\item[\dusa{reaction}] {\tt character*6} identification of a neutron-induced +reaction that takes place either for production of this isotope, its depletion, +or for producing energy. Example of reactions are following: + +\begin{ListeDeDescription}{mmmmmmmm} +\item[\moc{NG}] indicates that a radiative capture reaction takes place either +for production of this isotope, its depletion or for producing energy. + +\item[\moc{N2N}] indicates that the following reaction is taking place: +$$ n +^{A}X_Z \to 2 n + ^{A-1}X_Z$$ + +\item[\moc{N3N}] indicates that the following reaction is taking place: +$$ n +^{A}X_Z \to 3 n + ^{A-2}X_Z$$ + +\item[\moc{N4N}] indicates that the following reaction is taking place: +$$ n +^{A}X_Z \to 4 n + ^{A-3}X_Z$$ + +\item[\moc{NP}] indicates that the following reaction is taking place: +$$ n +^{A}X_Z \to p + ^AY_{Z-1}$$ + +\item[\moc{NA}] indicates that the following reaction is taking place: +$$ n +^{A}X_Z \to ^4{\rm He}_2 + ^{A-3}X_{Z-2}$$ + +\item[\moc{NFTOT}] indicates that a fission is taking place. +\end{ListeDeDescription} + +\item[\dusa{energy}] energy (in MeV) recoverable per neutron-induced +reaction of type \dusa{reaction}. If the energy associated to radiative capture +is not explicitely given, it should be added to the energy released per fission. By +default, \dusa{energy}=0.0 MeV. + +\item[\moc{STABLE}] non depleting isotope. Such an isotope may produces +energy by neutron-induced reactions (such as radiative capture). + +\item[\moc{FROM}] indicates that this isotope is produced from decay or +neutron-induced reactions. + +\item[\moc{DECAY}] indicates that a decay reaction takes place for its +production. + +\item[\dusa{yield}] branching ratio or production yield expressed in fraction. + +\item[\dusa{NAMPAR}] {\tt character*12} name of the a parent isotope +(or isomer) that appears as a particularized isotope of the Apex file. + +\item[\moc{ENDCHAIN}] keyword to specify the end of the depletion chain. + +\end{ListeDeDescription} + + +\subsubsection{Interpolation in the parameter grid} + +The following example corresponds to a delta-sigma computation in mixture 1 corresponding to a perturbation. Note that in this case, the \moc{MACROLIB} object may content negative cross-section. +\begin{verbatim} +MACROLIB := ACR: APEXFILE :: + EDIT 40 NMIX 1 APEX APEXFILE + MIX 1 !(* delta sigma contribution *) + SET 'CELL' '3D' + DELTA 'PITCH' 0.0 1.0 + ENDMIX +; +\end{verbatim} + +\clearpage |