Creating Serpent water compositions
Water composition material cards for Serpent can be generated using the krakentools.writeWaterComposition() method:
docstring for the krakentools.writeWaterComposition method
>>> import krakentools
>>> help(krakentools.writeWaterComposition)
Help on function writeWaterComposition in module krakentools.utils:
writeWaterComposition(fresh_water_mass_density:float, boron_in_ppm_weight:float,
temperature:float, fout:TextIO=None, fname:str='./watercomp.txt', thermlibs:Sequence[Tuple[str, float]]=[], mat_name:str=) -> None
Writes water material card and optionally the therm-card for Serpent into a file
for a specific state point (fresh water density + boron ppm)
Arguments:
fresh_water_mass_density {float} --
target mass density of non-borated water (positive number, g/cm3)
boron_in_ppm_weight {float} --
boron concentration in ppm weight
temperature {float} --
water temperature in Kelvin
Keyword Arguments:
fout {file handle} --
Handle to a pre-opened file into which the water composition will be
written (default: {None})
fname {str} --
Optional name of file into which the water composition will be
written (default: {"./watercomp.txt"})
thermlibs {[N*[str, float]]} --
A list of (thermal scattering library identifier)-(temperature) pairs
(default: {None})
mat_name {str} --
Name for the created material (default: {""}, will be created based on state point)
Raises:
RuntimeError: If the target temperature is not bracketed by the thermal scattering libraries.
By default, the function writes the material card to a file ./watercomp.txt but a pre-opened file handle can be passed as fout keyword argument also. For example:
test1.py
#!/usr/bin/env python3
# -*- coding: utf-8 -*-
import krakentools
# --- Open a file into which the composition will be written
fout = open("./some_name.txt","w")
# --- Water density in g/cm3 (does not include boron)
density = 1.0
# --- Boron content in ppm (weight)
boron = 1000
# --- Water temperature in Kelvin (used for tmp card and naming of therm-card)
temperature = 550
# --- Call the method to write the corresponding composition to the file
krakentools.writeWaterComposition(density, boron, temperature, fout=fout)
# --- Close the file
fout.close()
will produce the following file:
some_name.txt
mat cool_1000B_100D -1.00100 tmp 550
moder lw550K 1001
rgb 200 200 255
O-16.03c 3.323385e-01
O-17.03c 1.265963e-04
80170 6.829536e-04
H-1.03c 6.662196e-01
H-2.03c 7.662406e-05
B-10.03c 1.105860e-04
B-11.03c 4.451225e-04
The tmp and moder cards are automatically written based on the requested temperature, but as we provided no thermal scattering libraries, the therm card is not written. We could add a list of thermal scattering library identifiers and their corresponding temperatures, which would also append the correct therm card for the identifier specified in the moder card:
test2.py
#!/usr/bin/env python3
# -*- coding: utf-8 -*-
import krakentools
# --- Set of thermal scattering libraries to use
# [identifier, temperature (K)]
myThermlibs = [["lwe7.00t", 294],
["lwe7.02t", 350],
["lwe7.04t", 400],
["lwe7.06t", 450],
["lwe7.08t", 500],
["lwe7.10t", 550],
["lwe7.12t", 600],
["lwe7.14t", 650],
["lwe7.18t", 800]]
# --- Open a file into which the composition will be written
fout = open("./some_other_name.txt","w")
# --- Water density in g/cm3 (does not include boron)
density = 1.0
# --- Boron content in ppm (weight)
boron = 1000
# --- Water temperature in Kelvin (used for tmp card and naming of therm-card)
temperature = 550
# --- Call the method to write the corresponding composition to the file
krakentools.writeWaterComposition(density, boron, temperature, fout=fout, thermlibs=myThermLibs)
# --- Close the file
fout.close()
would produce the file
some_other_name.txt
mat cool_1000B_100D -1.00100 tmp 550
moder lw550K 1001
rgb 200 200 255
O-16.03c 3.323385e-01
O-17.03c 1.265963e-04
80180 6.829536e-04
H-1.03c 6.662196e-01
H-2.03c 7.662406e-05
B-10.03c 1.105860e-04
B-11.03c 4.451225e-04
therm lw550K lwe7.10t
This works even if the material temperature is between two library temperatures, in which case the therm card will use interpolation.
