Contact: John Back ([email protected]) and Yorck Ramachers ([email protected])
This C++ package can calculate target-product cross-sections and the production and decay yields of (radioactive) isotopes from cosmic ray activation using data tables and semi-empirical formulae, as detailed in the paper "ACTIVIA: Calculation of isotope production cross-sections and yields", published in Nucl. Instrum. Meth A. 586, 286 (2008), also available on the arXiv: http://arxiv.org/abs/0709.3472.
This file explains how to build and run the ACTIVIA code to perform calculations of cross-sections and yields for radioactive isotopes. The code has only been tested to work within the Unix environment.
Further online documentation is available at http://universityofwarwick.github.io/ACTIVIA
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This package does not require any other external software to run. However, it can use ROOT, a general purpose C++ data analysis framework (http://root.cern.ch), for creating output files, and a graphical user interface (GUI) can be enabled based on the open source version of the Qt software framework (https://qt-project.org/downloads). The minimum g++ (gcc) compiler is version 5 for enabling C++17 features.
The configure script should be run to set the compiler options, and to enable the ROOT output and/or the GUI extension.
$ ./configure
$ makeUse "configure --help" to see the list of available options. The configuration will try to automatically detect if your system has ROOT installed (version 5.14.00e and above required). Otherwise, use the "configure --rootsys" option. The GUI can be configured using "configure --gui". This requires a full installation of Qt (version 4); the "--qtlib", "--qtinc" and "--moc" options should specify the location of the Qt libraries, include files and the Meta-Object Compiler (moc) command, respectively.
By default, the compilation creates a shared library "lib/libActivia.so" as well as the binary "bin/Activia".
Note that the shared library "lib/libActivia.so" needs to be included in the LD_LIBRARY_PATH environment variable before "bin/Activia" can be run using (for csh/tcsh):
setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:base_directory_of_Activia/lib
This can be set using the "pathlib.sh" script from the Activia base directory. For csh/tcsh:
$ source pathlib.shAfter creating the "bin/Activia" executable, you can run the code by going to the workdir directory
$ cd workdirThis is the recommended place to run the code, since this directory contains (a soft-link to) the necessary "decayData.dat" file, which specifies all possible isotope products together with their side-branches. The format of each line in "decayData.dat" is
productZ productA halfLife nSideBranches SBZ1 SBA1 ... SBZn SBAn
where SBZi and SBAi are the Z and A values of side-branch i, respectively. The half-life value must be in units of days.
a) The recommended way to run the program is to use an input file. Examples are provided in the workdir/runFiles sub-directory:
$ cd workdir
$ sh runFiles/runNatCu_Co60.shb) To run the code in a terminal window (no GUI), issue the command
$ ./bin/Activiawhere the program will ask you a set of questions which you need to provide interactively. If a question requires several input values, then they all need to be put on the same line, each separated by a space, before typing enter (carriage return) to accept them. Please do not use other symbols (such as commas) to separate the input values as this will result in I/O errors.
c) If you want to use the GUI, make sure the code has been compiled and linked with the Qt 4 libraries (see above). Then issue the command
$ ./bin/Activia 1where a GUI window will pop-up (the number 1 specifies we want to use the GUI).
If there is an error saying that the Qt libraries cannot be found, then set the environment variable LD_LIBRARY_PATH to include the Qt library path:
setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:location_of_Qt_libraries
Right clicking on any section in the window will provide some help/hints on how to fill in the form. Clicking on "Run" at the bottom will run the code, where another window will pop-up, detailing the progress of the calculation. Once the form has been filled in, the input can be saved as a file ("File" -> "Save input"). Reloading an input file will preset the various entries in the form ("File"->"Load input").
To run the example of calculating all isotope product yields for natural tellerium and using ROOT output files, do
$ cd workdir
$ sh runFiles/runNatTe_All.shTo use ASCII output files, run the following script instead:
$ sh runFiles/runNatTe_All_ascii.shThe run file specifies all required inputs for the calculations and also provides the names and level of detail (summary or full information) of the cross-section and yield output files.
If you want to use data tables, then the workdir must also contain a file (e.g. "listOfDataFiles.txt") that specifies the filenames of all of the ASCII tables. This file must be provided interactively or in the run script file.
Each data file has a set of initial comments specified by the hash (#) symbol, followed by the target Z and A values, the "#New table" line and then the product Z and A values. The remaining lines are the actual energy and cross-section data for the given target-product pair. Another set of product cross-section values can be provided after the lines "#New table" and "Product ZProd AProd" for the same target isotope (specified at the start of the file).
The directory workdir/MENDL contains a README.md file with instructions on downloading Medium Energy Nuclear Data Library (MENDL) data files from the OECD Nuclear Energy Agency repository that can then be used in Activia. The template file workdir/listOfDataFiles.txt should already contain a list of the MENDL data files, provided the steps in workdir/MENDL/README.md are followed.
An example script of running Activia with the MENDL data tables can be seen in the file
$ sh runFiles/runNatTe_All_DataTables.shwhich contains the line
listOfDataFiles.txt 0.001
This tells Activia to read any data files specified in listOfDataFiles.txt, and the number 0.001 is the minimum cross-section (in mb) for the data, i.e. if the data value is below this number, then the formulae are used instead.
It is also possible to use data files that are not based on the MENDL tables. As an illustrative example, consider a file myDataFiles.txt that lists only two filenames for cross-section data for two target isotopes; one for the target isotope As-74 and another one for the target isotope Ba-133:
as74.dat ba133.dat
The file "as74.dat" contains the following energy-dependent cross-section data for three example products, Se-74, Se-73 and Se-72:
# Table format is as follows:
# Target Z A
# New table comment
# Product Z A
# E (MeV) sigma (mb)
# Target material is AS-74; (Z,A) = (33, 74)
Target 33 74
# New table
Product 34 74
1e-11 0
2 0.217
3 8.32
4 55.8
.
.
(provide all necessary energy and cross-section data)
.
.
# New table
Product 34 73
11.655 0
13 25.2
14 102
15 208
.
.
.
# New table
Product 34 72
20.158 0
21 0.0626
22 7.57
23 53.6
.
.
.
The file "ba133.dat" will need to have a similar structure.
The code produces two output files: one for cross-section data and production rates, another one for decay yield information. Below we describe the output variables in the ROOT files. Variables in the ASCII (Stream) output files have the same meaning.
In the cross-section output file, we have two TTree's named "xSecEData", which stores detailed cross-section vs energy results, and "xSecSummary", which provides summary information.
Variables in "xSecEData" are:
Zt = target isotope Z number
At = target isotope A number
frac = relative abundance fraction of the target isotope (0.0 to 1.0)
Z = product isotope Z number
A = product isotope A number
nPoints = number of energy points or bins (used in the beam spectrum)
Energy = energy of the beam (MeV)
Sigma = cross-section (mb), not weighted by the relative target isotope
fraction, frac
ProdRate = production rate (per kg per day), weighted by the relative
target isotope fraction, frac
Variables in "xSecSummary" are:
ProdZ = product isotope Z number
ProdA = product isotope A number
TotSigma = total cross-section for the product isotope (mb), summed over
all energy bins and normalised over all target isotope
fractions
TotProdRate = total production rate (per kg per day), normalised
over all target isotope abundance fractions.
The decay yield output file has two TTree's, one named "initialYields", containing information about the initial production rate for product isotopes and their side-branches, and another one named "decaySummary", which summaries the initial and final yields of all product isotopes, weighted over all target isotope abundance fractions.
Variables in "initialYields" are:
Zt = target isotope Z number
At = target isotope A number
Z = product isotope Z number
A = product isotope A number
SB = side-branch flag (1 = yes, 0 = no)
R = production rate of isotope/side-branch (per kg per day)
R_tot = production rate of isotope (Z,A), summing over side-branches
(per kg per day)
= 0.0 for side-branches
I0 = initial product yield rate = R_tot*(1.0 - exp(-lambda*t_exp)), where
lambda = ln2/t_Half,
t_Half = half-life of the product isotope (days) and
t_exp is the beam exposure time (days).
Variables in "decaySummary" are:
ip = product isotope order number
Z = product isotope Z number
A = product isotope A number
tHalf = half-life of the product isotope (days), specified in the
"decayData.dat" file
dndti = initial yield rate (per kg per day), at the start of the cooling
(beam off) period, weighted over all target isotopes
dndtf = final yield rate (per kg per day), weighted over all target isotopes
The sub-directory workdir/validation contains the runComparisons.sh script:
$ sh runComparisons.shwhich can be run to compare various experimental measurements (from the EXFOR database https://www-nds.iaea.org/exfor/exfor.htm) with the calculations from Activia for a range of target materials and activation products. Before this script can be run, the "workdir/validation/analysis" program needs to be built using "make", which requires ROOT. The comparison script creates a series of plots in the workdir/validation/pngFiles directory.
Note that some of the comparisons require the MENDL-2 data files to be present in workdir/MENDL (specifically the last four examples in runComparisons.sh).
Specific reference plots are available in the "Activia/doc/pngFiles" directory, and can be viewed within the automatic Doxygen documentation (see below).
All of the C++ classes have Doxygen (http://www.doxygen.org) comments provided. If the "Activia/doxygen" sub-directory does not exist, then the documentation can be made by doing (providing Doxygen is installed on your system):
$ doxygenThis will create a "Activia/doxygen" subdirectory which contains the Doxygen documentation. Load the page "doxygen/html/index.html" in a web browser to look through the documentation and class diagrams. The Unix program "dot" is used to create the class diagrams and needs to be installed on your system (it is part of Graphviz tool). Otherwise, set HAVE_DOT to NO in the Doxyfile.
This software is distributed under the Boost Software License, Version 1, (Aug 17 2003). See LICENSE_1_0.txt (optionally the original at http://www.boost.org/LICENSE_1_0.txt) for details.
The authors are John Back and Yorck Ramachers.