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InputExplanation.md

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Input explanation

This folder contains the essential input files required by SCIANTIX:

  • input_settings.txt: Specifies the models and numerical solvers used in the simulation.
  • input_history.txt: Includes the time (h), temperature (K), fission rate (fiss/m³-s), and hydrostatic stress (MPa) as a function of time.
  • input_initial_conditions.txt: Sets initial conditions for the simulation.
  • input_scaling_factors.txt: (Optional) File for scaling factors.

Below is a detailed description of each file.

Input settings

The following settings define the models and methods used for the simulation.

1    #    iGrainGrowth (0= no grain growth, 1= Ainscough et al. (1973), 2= Van Uffelen et al. (2013))
1    #    iFissionGasDiffusivity (0= constant value, 1= Turnbull et al. (1988))
1    #    iDiffusionSolver (1= SDA with quasi-stationary hypothesis, 2= SDA without quasi-stationary hypothesis)
1    #    iIntraGranularBubbleBehavior (1= Pizzocri et al. (2018))
1    #    iResolutionRate (0= constant value, 1= Turnbull (1971), 2= Losonen (2000), 3= thermal resolution, Cognini et al. (2021))
1    #    iTrappingRate (0= constant value, 1= Ham (1958))
1    #    iNucleationRate (0= constant value, 1= Olander, Wongsawaeng (2006))
1    #    iOutput (1= default output files)
1    #    iGrainBoundaryVacancyDiffusivity (0= constant value, 1= Reynolds and Burton (1979), 2= White (2004))
1    #    iGrainBoundaryBehaviour (0= no grain boundary bubbles, 1= Pastore et al (2013))
1    #    iGrainBoundaryMicroCracking (0= no model considered, 1= Barani et al. (2017))
0    #    iFuelMatrix (0= UO2, 1= UO2 + HBS)
0    #    iGrainBoundaryVenting (0= no model considered, 1= Pizzocri et al., D6.4 (2020), H2020 Project INSPYRE)
0    #    iRadioactiveFissionGas (0= not considered)
0    #    iHelium (0= not considered)
0    #    iHeDiffusivity (0= null value, 1= limited lattice damage, Luzzi et al. (2018), 2= significant lattice damage, Luzzi et al. (2018))
0    #    iGrainBoundarySweeping (0= no model considered, 1= TRANSURANUS swept volume model)
0    #    iHighBurnupStructureFormation (0= no model considered, 1= fraction of HBS-restructured volume from Barani et al. (2020))
0    #    iHighBurnupStructurePorosity (0= no evolution of HBS porosity, 1= HBS porosity evolution based on Spino et al. (2006) data)
0    #    iHeliumProductionRate (0= zero production rate, 1= helium from ternary fissions, 2= linear with burnup (FR))
0    #    iStoichiometryDeviation (0= not considered, 1= Cox et al. 1986, 2= Bittel et al. 1969, 3= Abrefah et al. 1994, 4= Imamura et al. 1997, 5= Langmuir-based approach)
0    #    iBubbleDiffusivity (0= not considered, 1= volume diffusivity)

Input history

Input history defines the conditions imposed to the simulation in terms of duration of the simulated history (in hours, first column), local temperature (in K, second column), local fission rate density (in fission per cubic meter per second, third column), and local hydrostatic stress (in MPa, fourth column). Between the given rows, the code linearly interpolates with a fixed number of time steps.

0	1273	1e19	0
5500	1273	1e19	0

Input initial conditions

This file sets the initial conditions for various parameters within the simulation.

5.0e-06
# initial grain radius (m)
0.0 0.0 0.0 0.0 0.0 0.0
# initial Xe (at/m³) produced, intragranular, intragranular in solution, intragranular in bubbles, grain boundary, released
0.0 0.0 0.0 0.0 0.0 0.0
# initial Kr (at/m³) produced, intragranular, intragranular in solution, intragranular in bubbles, grain boundary, released
0.0 0.0
# initial He (at/m³) produced, intragranular, intragranular in solution, intragranular in bubbles, grain boundary, released
0.0 0.0
# initial intragranular bubble concentration (at/m³), radius (m)
0.0
# initial fuel burn-up (MWd/kgUO2)
0.0
# initial fuel effective burn-up (MWd/kgUO2)
0.0
# initial irradiation time (h)
10641.0
# initial fuel density (kg/m³)
0.0 3.0 0.0 0.0 97.0
# initial U234 U235 U236 U237 U238 (% of heavy atoms) content
0.0 0.0 0.0 0.0 0.0 0.0 0.0
# initial Xe133 (at/m³) produced, intragranular, intragranular in solution, intragranular in bubbles, decayed, grain boundary, released
0.0 0.0 0.0 0.0 0.0 0.0 0.0
# initial Kr85m (at/m³) produced, intragranular, intragranular in solution, intragranular in bubbles, decayed, grain boundary, released
0.0
# initial fuel stoichiometry deviation (\)

Note: Ensure that the comment symbol (#) is placed below each data series. This is mandatory.

Input scaling factors

This file contains the scaling factors applied to various model parameters during the simulation.

1.0
# scaling factor - resolution rate
1.0
# scaling factor - trapping rate
1.0
# scaling factor - nucleation rate
1.0
# scaling factor - diffusivity
1.0
# scaling factor - temperature
1.0
# scaling factor - fission rate
1.0
# scaling factor - cent parameter
1.0
# scaling factor - helium production rate
1.0
# scaling factor - dummy

If you experience any issues with these files, please contact the main developers (D. Pizzocri, G. Zullo) for support.