Output interpretation
All FISPACT-II calculations possess at least two output files: an output file [fileroot].out and a runlog file [fileroot].log. The output contains a sequence of text outputs which are summarised in the following sections.
Contents
Header and run information
The output file always begins with a header identifying the release version of the code:
==============================================================================
| |
| F I S P A C T - I I |
| ------------------- |
| |
| Transmutation-Activation Inventory Code |
| United Kingdom Atomic Energy Authority |
| |
| Release 3.00 September 2015 |
| Copyright (c) 2009-15, UK Atomic Energy Authority |
| |
==============================================================================
------------------------------------------------------------------------------
Source CVS Tag: $Name: Release-3-00-00 $
------------------------------------------------------------------------------
after which a run identification box is printed with a summary of the nuclear data, user input and simulation data. Note that only the initial nuclear data are identified here, although simulations with multiple nuclear data and/or spectra will have these summarised at the end of the output.
Printed after the header information is the box containing unique identifying information for the run, for example with a simulation of the Fusion Neutron Source (FNS) 5 minute irradiation of Inconel-600 at position #3 (part of the FISPACT-II fusion decay heat validation:
=========================================================================================================
| |
| R U N I D E N T I F I C A T I O N I N F O R M A T I O N |
| |
| INITIAL CROSS SECTION DATA |
| Collapsed library timestamp: 15:56:33 24 August 2015 |
| EAF source library label: |
| FLUX file label: Position #3 Normalization Factor |
| |
| DECAY DATA |
| Condensed library timestamp: 15:36:26 24 August 2015 |
| EAF source library label: Decay input from separate files |
| |
| THIS RUN |
| timestamp: 09:26:29 26 August 2015 |
| fileroot : inventory |
| name of FILES file: files |
| FISPACT title: * FNS 5 Minutes Inconel-600 |
| |
| See the inventory.log file |
| and summary details at the end of this file for further information on files used by this run |
| |
=========================================================================================================
ATOMS output data
Each instance of the ATOMS keyword in the input file cause the output of a set of data in the output file:
- Table keys (first ATOMS only)
- The time line
- Iron information (if IRON is used)
- The inventory, including:
- The heading line
- A line for each nuclide above the MIND threshold
- Nuclide table totals
- Inventory summary
- Inventory by element (if NOCOMP is not used)
- Gamma spectra
- Gamma-dose totals
- Dominant nuclide lists (if NOSORT is not used)
- Bremsstrahlung corrections (if BREMSSTRAHLUNG is used)
Table key
Prior to the first inventory tables output initiated by the ATOMS keyword the following key is printed:
------------------------------------------------------------------------------- | NB: IN FOLLOWING TABLES | | ? MEANS CONVERGENCE NOT REACHED FOR NUCLIDE | | & MEANS GAMMA SPECTRUM IS APPROXIMATELY CALCULATED | | # MEANS NUCLIDE IS STABLE | | > MEANS NUCLIDE WAS PRESENT BEFORE IRRADIATION | ------------------------------------------------------------------------------- | | | | V V
This key lists four single character flags that are printed immediately following each nuclide identifier. (Note that the * that was present in legacy FISPACT versions has been made obsolete, as the equilibrium approximation is not required by the LSODES solver used by FISPACT-II):
- ? is the convergence flag whose presence indicates a nuclide with larger uncertainty in its inventory. It is set if the error for the nuclide is greater that 1.5 times the rms norm error set by the rtol and atol flags (see TOLERANCE). If this flag is set for nuclides that appear in the dominant nuclide table, then results should be treated with great caution until convergence studies have been performed or tighter TOLERANCE settings are used to remove the flag.
- & indicates that no gamma-spectral data were present in the decay data library and that the keyword SPEK was used to calculate a spectrum approximately. If most of the gamma dose-rate is produced from nuclides with this flag then the result should be treated with great caution.
- # indicates that the nuclide is stable.
- > indicates that this nuclide was present in the material input, specified by the MASS or FUEL keyword.
Time line
The time line is printed at the start of the output produced at the end of an integration step initiated by the ATOMS or SPECTRUM keyword. It displays the time interval number, the step length and the total elapsed time. The ZERO keyword causes the elapsed time counter to be reset to zero, and the word COOLING to be added to the time line, for example:
* * * TIME INTERVAL 2 * * * * * * * TIME IS 3.0000E+02 SECS OR 5.0000E+00 MINS * * * ELAPSED TIME IS 5.000 m * * * FLUX A
NUCLIDE ATOMS GRAMS Bq b-Energy a-Energy g-Energy DOSE RATE INGESTION INHALATION HALF LIFE
kW kW kW Sv/hr DOSE(Sv) DOSE(Sv) second
H 1 # 2.04274E+10 3.419E-14 0.000E+00 0.000E+00 0.00E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 Stable
H 2 # 3.37468E+08 1.129E-15 0.000E+00 0.000E+00 0.00E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 Stable
H 3 6.30806E+05 3.159E-18 1.124E-03 1.028E-21 0.00E+00 0.000E+00 0.000E+00 4.720E-14 2.922E-13 3.891E+08
He 3 # 1.49099E+05 7.467E-19 0.000E+00 0.000E+00 0.00E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 Stable
He 4 # 3.00423E+09 1.997E-14 0.000E+00 0.000E+00 0.00E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 Stable
Ti 46 # 2.97170E+05 2.268E-17 0.000E+00 0.000E+00 0.00E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 Stable
Ti 47 # 2.20319E+07 1.718E-15 0.000E+00 0.000E+00 0.00E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 Stable
Ti 48 # 8.25936E+05 6.576E-17 0.000E+00 0.000E+00 0.00E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 Stable
The inventory contains up to eleven columns of data (excluding the nuclide identifier and flags) giving values at the end of the step indicated by the time line. The first seven of these are always printed, and their contents are defined in the table below, where
- \(A_{r,i}\) is the atomic weight of isotope \(i\) in amu
- \(N_A\) is the Avogadro constant (mol\(^{-1}\)
- \(E_{\beta ,i}\) is the beta decay energy for isotope \(i\) (eV)
- \(E_{\alpha ,i}\) is the alpha decay energy for isotope \(i\) (eV)
- \(E_{\gamma ,i}\) is the gamma decay energy for isotope \(i\) (eV)
- \(C_1\) is the conversion factor from eV to kJ
Note that the heat column headings used in legacy FISPACT versions is retained, although the columns contain values of power (kW).
| Column | Description | Value | Units |
|---|---|---|---|
| 1 | number of atoms | \(N_i\) | |
| 2 | mass | \(N_i A_{r,i} / N_A\) | g |
| 3 | activity | \(A_i = N_i \lambda_i \) | Bq |
| 4 | \(\beta\)-heat | \(A_i E_{\beta , i} C_1\) | kW |
| 5 | \(\alpha\)-heat | \(A_i E_{\alpha , i} C_1\) | kW |
| 6 | \(\gamma\)-heat | \(A_i E_{\gamma , i} C_1\) | kW |
| 7 | dose rate | contact or point | Sv h\(^{-1}\) |
The remaining four columns are specified by using the HAZARDS, CLEAR, ATWO and HALF keywords. The contents of these columns are defined in the table below. Note that the clearance index is defined as a dimensionless quantity in FISPACT-II rather than as a quantity of dimension mass (kg) as used in legacy versions, so different results will be seen for input masses different from 1 kg. In the table the quantities:
- \(e^{ing}_i , e^{inh}_{i}\) are the factors to convert activity of an ingested or inhaled nuclide into the dose (units of Sv) received by an average person over 50 years. These factors are tabulated in the hazards input data.
- \(L_i\) specific activity (in Bq kg\(^{-1}\) below which a material is given clearance for disposal. Values of \(L_i\) are tabulated in the clear input data.
- \(m_{tot}\) total mass of material (kg)
- \(A_{2,i}\) activity level for safe transport. Values of \(A_{2,i}\) in TBq are tabulated in the a2 input data.
- \(C_2\) is the conversion factor from TBq to Bq
| Column | Description | Value | Units |
|---|---|---|---|
| HAZARDS | ingestion dose | \(A_i e^{ing}_i\) | Sv |
| inhalation dose | \(A_i e^{inh}_i\) | Sv | |
| CLEAR | clearance index | \(A_i / (m_{tot} L_i) \) | |
| ATWO | transport index | \(A_i / (A_{2,i} C_2) \) | |
| HALF | half-life | \(\lambda^{-1}_i\) log\(_e\)2 or 'Stable' | s |
Iron information
Inventory data
Elemental inventory
The composition of material by element is the next table displayed. The column headings for this are: number of atoms of the element, number of gram-atoms, number of grams, \(\beta\) power output (Curie-MeV and kW), \(\gamma\) power output (Curie-MeV and kW) and \(\alpha\) power output (Curie-MeV and kW).
COMPOSITION OF MATERIAL BY ELEMENT
--------------------------------------
BETA GAMMA ALPHA
ATOMS GRAM-ATOMS GRAMS CURIES-MeV kW CURIES-MeV kW CURIES-MeV kW
1 H 2.0766E+10 3.4482E-14 3.5318E-14 1.7334E-16 1.0276E-21 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00
2 He 3.0044E+09 4.9889E-15 1.9968E-14 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00
22 Ti 2.1825E+08 3.6241E-16 1.7711E-14 6.2424E-08 3.7005E-13 2.6189E-08 1.5525E-13 0.0000E+00 0.0000E+00
23 V 9.4118E+08 1.5629E-15 7.9552E-14 2.6319E-05 1.5602E-10 3.5726E-05 2.1178E-10 0.0000E+00 0.0000E+00
24 Cr 1.8496E+21 3.0714E-03 1.5970E-01 2.8493E-07 1.6891E-12 6.2813E-08 3.7236E-13 0.0000E+00 0.0000E+00
25 Mn 4.2751E+19 7.0989E-05 3.9000E-03 7.1260E-07 4.2243E-12 8.8035E-07 5.2187E-12 0.0000E+00 0.0000E+00
26 Fe 8.4328E+20 1.4003E-03 7.8200E-02 1.0757E-07 6.3770E-13 1.2886E-07 7.6389E-13 0.0000E+00 0.0000E+00
27 Co 1.7758E+10 2.9488E-14 1.6949E-12 4.2516E-06 2.5204E-11 3.6646E-06 2.1724E-11 0.0000E+00 0.0000E+00
28 Ni 7.7794E+21 1.2918E-02 7.5820E-01 1.4220E-08 8.4299E-14 1.7238E-07 1.0219E-12 0.0000E+00 0.0000E+00
29 Cu 3.0080E+03 4.9950E-21 3.2431E-19 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00
Gamma spectra
In this section the total powers (MeV s\(^{-1}\)) from \(\alpha\), \(\beta\) and \(\gamma\) radiations and the total number of spontaneous fission neutrons are listed followed by two columns giving the \(\gamma\) spectrum (MeV s\(^{-1}\) per group) and number of gammas per group (cm\(^{-3}\) s\(^{-1}\)) in either a 24- or 22-group form, depending on the parameter used for GROUP, unless the user has specified a gamma group structure with the READGG keyword.
GAMMA SPECTRUM AND ENERGIES/SECOND
----------------------------------
NEUTRONS PER SECOND ARISING FROM SPONTANEOUS FISSION 0.00000E+00 Entered density (g/cc) 8.42
POWER FROM ALPHA PARTICLES (MeV per Second) 0.00000E+00
POWER FROM BETA PARTICLES (MeV per Second) 1.17485E+06
TOTAL GAMMA POWER FROM ACTIVATION (MeV per Second) 1.50445E+06 Total gammas (per cc per s) 1.16192E+07
GAMMA RAY POWER FROM ACTIVATION DECAY MeV/s ( 0.00- 0.01 MeV) 1.06093E+03 Gammas per group (per cc per s) 1.78661E+06
( 0.01- 0.02 MeV) 1.42317E+01 7.98872E+03
( 0.02- 0.05 MeV) 4.70931E-01 1.13292E+02
( 0.05- 0.10 MeV) 8.70788E+02 9.77604E+04
( 0.10- 0.20 MeV) 4.05257E+02 2.27484E+04
( 0.20- 0.30 MeV) 3.46709E+02 1.16772E+04
...
...
(10.00-12.00 MeV) 0.00000E+00 0.00000E+00
(12.00-14.00 MeV) 0.00000E+00 0.00000E+00
(14.00-20.00 MeV) 0.00000E+00 0.00000E+00
The total dose rate is then given in one of two forms depending on the DOSE parameter; these two outputs are for contact dose from a semi-infinite slab of the material and for the dose from a point source at a specified distance. Note that if most of the dose rate is produced by nuclides with an approximated gamma spectrum, then the following warning message will be given:
*** WARNING : >20% OF DOSE FROM NUCLIDES WITH NO SPECTRAL DATA. TREAT
DOSE AND GAMMA SPECTRUM WITH CAUTION ***
Dominant nuclides
At each step the inventory is sorted into descending order of radiological quantities and tables of nuclides at the tops of these lists are printed (see the SORTDOMINANT keyword). In all cases, dominant nuclides, as measured by activity, total heat production, dose rate, gamma heating and beta heating are displayed. If the HAZARDS keyword is used, nuclides are also sorted by ingestion and inhalation dose, and CLEAR adds columns with sorting by clearance index.
DOMINANT NUCLIDES
-----------------
NUCLIDE ACTIVITY PERCENT NUCLIDE HEAT PERCENT NUCLIDE DOSE RATE PERCENT NUCLIDE INGESTION PERCENT ..
(Bq) ACTIVITY (kW) HEAT (Sv/hr) DOSE RATE (Sv) INGESTION ..
Total 1.2507E+14 Total 3.6006E-02 Total 5.6310E+04 Total 1.3853E+05 ..
1 Sc 48 4.3656E+13 34.91E+00 Sc 48 2.4964E-02 69.33E+00 Sc 48 4.1357E+04 73.45E+00 Sc 48 7.4216E+04 53.57E+00 ..
2 Sc 46 2.4682E+13 19.73E+00 Sc 46 8.3894E-03 23.30E+00 Sc 46 1.3625E+04 24.20E+00 Sc 46 3.7023E+04 26.73E+00 ..
3 Ca 45 1.9657E+13 15.72E+00 Sc 47 8.4082E-04 23.35E-01 Sc 50 5.4522E+02 96.83E-02 Ca 45 1.3956E+04 10.07E+00 ..
4 Sc 47 1.9369E+13 15.49E+00 Sc 50 4.6108E-04 12.81E-01 Ti 45 3.2266E+02 57.30E-02 Sc 47 1.0459E+04 75.50E-01 ..
Bremsstrahlung corrections
If the BREMSSTRAHLUNG keyword is used, then the Bremsstrahlung correction to the gamma dose is calculated using either plane or point source formulae and are printed as shown below for fispQA test116 within the Tst_709 folder.
--- THE BREMSSTRAHLUNG CORRECTIONS ARE CALCULATED FOR AN INFINITE PLANE SOURCE ---
Bremsstrahlung dose rate from Ar 39 is 8.68701E-08 Sv/h ( 8.68701E-06 Rems/h). This is 1.50849E-10% of the total dose rate.
Bremsstrahlung dose rate from Ar 42 is 1.99365E-06 Sv/h ( 1.99365E-04 Rems/h). This is 3.46196E-09% of the total dose rate.
Bremsstrahlung dose rate from K 42 is 1.17442E-01 Sv/h ( 1.17442E+01 Rems/h). This is 2.03937E-04% of the total dose rate.
Bremsstrahlung dose rate from Cl 38 is 3.41852E-06 Sv/h ( 3.41852E-04 Rems/h). This is 5.93623E-09% of the total dose rate.
