Merge branch 'main' into releases_metrics

.gitattributes

@@ -0,0 +1 @@
+*.bib linguist-vendored

.github/workflows/ci.yml

@@ -45,3 +45,30 @@ jobs:
 
         chmod +x codecov
         ./codecov -t ${{ secrets.CODECOV_TOKEN }}
+
+  check_unused_variables:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v2
+
+      - name: Set up Python
+        uses: actions/setup-python@v2
+        with:
+          python-version: 3.x  # Choose your desired Python version
+
+      - name: Install vulture
+        run: pip install vulture
+
+      - name: Check for unused variables
+        continue-on-error: true
+        run: vulture h_transport_materials/property_database
+
+      - name: Check vulture output
+        run: |
+          vulture_output=$(vulture h_transport_materials/property_database) || true
+          if [[ $vulture_output == *"unused variable"* ]]; then
+            echo "Error: Unused variables found."
+            exit 1
+          fi

.gitignore

@@ -127,3 +127,6 @@ dmypy.json
 
 # Pyre type checker
 .pyre/
+
+# macOS stuff
+.DS_Store

.readthedocs.yaml

@@ -11,4 +11,3 @@ python:
      - requirements: docs/requirements.txt
      - method: pip
        path: .
-   system_packages: false

docs/requirements.txt

@@ -1,4 +1,5 @@
 sphinx==6.2.1
 sphinx-design==0.4.1
 sphinx_book_theme==1.0.1
-matplotlib==3.7.1
+matplotlib==3.7.1
+numpy<2

docs/user/groups.rst

@@ -178,8 +178,8 @@ It is also possible to export some of the data to a latex table with:
         \begin{tabular}{ c c c c}
 
             Material & pre-exp. factor & Act. energy & Reference \\
-            & $1.00\times 10^{0}\ \frac{\mathrm{m}^{2}}{\mathrm{s}}$ & 0.10 eV/particle & \cite{} \\     
-            & $2.00\times 10^{0}\ \frac{\mathrm{particle}}{\left(\mathrm{Pa} \cdot \mathrm{m}^{3}\right)}$ & 0.20 eV/particle & \cite{} \\
+             & $1.00\times 10^{0}\ \frac{\mathrm{m}^{2}}{\mathrm{s}}$ & 0.10 eV/particle & \cite{} \\
+             & $2.00\times 10^{0}\ \frac{\mathrm{particle}}{\left(\mathrm{m}^{3} \cdot \mathrm{Pa}\right)}$ & 0.20 eV/particle & \cite{} \\
         \end{tabular}
     \end{center}
 

h_transport_materials/material.py

@@ -109,9 +109,15 @@ def __init__(self):
 class MoltenSalt(Material):
     family = "molten salt"
 
+
 class FeCrAl(Steel):
     family = "fecral"
 
+
+class PalladiumAlloy(Alloy):
+    family = "palladium alloy"
+
+
 TUNGSTEN = Tungsten()
 BERYLLIUM = Beryllium()
 CARBON = Carbon()
@@ -144,8 +150,10 @@ class FeCrAl(Steel):
 FLINAK = MoltenSalt("flinak")
 LIPB = Alloy("lipb")
 LITHIUM = PureMetal("lithium", "Li")
-PDAG = Alloy("pdag")
+PDAG = PalladiumAlloy("pdag")
 ZIRCONIUM = PureMetal("zirconium", "Zr")
+YTTRIUM = PureMetal("yttrium", "Y")
+CHROMIUM = PureMetal("chromium", "Cr")
 
 ALUMINA = Compound("alumina")
 EUROFER = Steel("eurofer_97")
@@ -157,3 +165,9 @@ class FeCrAl(Steel):
 THERMACORE_OXIDIZED = FeCrAl("thermacore_oxidized")
 FE22CR5AL = FeCrAl("fe22cr5al")
 OXIDIZED_1605 = FeCrAl("oxidized_1605")
+
+TZM = Alloy("tzm")
+
+PD60CU40 = PalladiumAlloy("60pd40cu")
+PD52CU = PalladiumAlloy("pd52cu")
+SIC = Compound("sic")

h_transport_materials/properties_group.py

@@ -6,6 +6,8 @@
 
 from h_transport_materials import ureg, ArrheniusProperty, __version__
 
+warnings.filterwarnings("always", message="No property matching the requirements")
+
 
 class PropertiesGroup(list):
     @property

h_transport_materials/property.py

@@ -619,12 +619,8 @@ def data_y(self, value):
         self._data_y = value
 
     def set_law_from_quantity(self, quantity):
-        sievert_units = (
-            ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-0.5
-        )
-        henry_units = (
-            ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-1
-        )
+        sievert_units = ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-0.5
+        henry_units = ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-1
         if quantity.check(sievert_units):
             self.law = "sievert"
         elif quantity.check(henry_units):
@@ -637,9 +633,7 @@ def set_law_from_quantity(self, quantity):
     @property
     def units(self):
         if self.law == "sievert":
-            return (
-                ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-0.5
-            )
+            return ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-0.5
         elif self.law == "henry":
             return ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-1
 

h_transport_materials/property_database/FeCrAl/__init__.py

@@ -5,4 +5,3 @@
 from . import t54y
 from . import thermacore
 from . import thermacore_oxidized
-

h_transport_materials/property_database/FeCrAl/apmt/apmt.py

@@ -1,7 +1,7 @@
 import h_transport_materials as htm
 from h_transport_materials import (
     Permeability,
-) 
+)
 import numpy as np
 
 u = htm.ureg
@@ -12,8 +12,8 @@
 )
 
 Hu_perm = Permeability(
-    data_T=(1000 / data[:,0]) * u.K,
-    data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.MPa**(-0.5),
+    data_T=(1000 / data[:, 0]) * u.K,
+    data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.MPa ** (-0.5),
     source="hu_hydrogen_2015",
     isotope="H",
     note="Figure 6",

h_transport_materials/property_database/FeCrAl/fe22cr5al/__init__.py

@@ -1,2 +1 @@
 from . import fe22cr5al
-

h_transport_materials/property_database/FeCrAl/fe22cr5al/fe22cr5al.py

@@ -1,7 +1,7 @@
 import h_transport_materials as htm
 from h_transport_materials import (
     Permeability,
-) 
+)
 import numpy as np
 
 u = htm.ureg
@@ -12,8 +12,8 @@
 )
 
 xu_perm = Permeability(
-    data_T=(1000 / data[:,0]) * u.K,
-    data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.Pa**(-.5),
+    data_T=(1000 / data[:, 0]) * u.K,
+    data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.Pa ** (-0.5),
     source="xu_studies_2016",
     isotope="D",
     note="Figure 1, oxidised",

h_transport_materials/property_database/FeCrAl/oxidized_1605/__init__.py

@@ -1,2 +1 @@
 from . import oxidized_1605
-

h_transport_materials/property_database/FeCrAl/oxidized_1605/oxidized_1605.py

@@ -1,7 +1,7 @@
 import h_transport_materials as htm
 from h_transport_materials import (
     Permeability,
-) 
+)
 import numpy as np
 
 u = htm.ureg
@@ -12,8 +12,8 @@
 )
 
 ash_perm = Permeability(
-    data_T=(1000 / data[:,0]) * u.K,
-    data_y=data[:,1] * u.micromol * u.m**(-1) * u.s**(-1) * u.kPa**(-.5),
+    data_T=(1000 / data[:, 0]) * u.K,
+    data_y=data[:, 1] * u.micromol * u.m ** (-1) * u.s ** (-1) * u.kPa ** (-0.5),
     source="ashdown_alloy_1980",
     isotope="H",
 )

h_transport_materials/property_database/FeCrAl/t35y/__init__.py

@@ -1,2 +1 @@
 from . import t35y
-

h_transport_materials/property_database/FeCrAl/t35y/t35y.py

@@ -1,7 +1,7 @@
 import h_transport_materials as htm
 from h_transport_materials import (
     Permeability,
-) 
+)
 import numpy as np
 
 u = htm.ureg
@@ -12,8 +12,8 @@
 )
 
 Hu_perm = Permeability(
-    data_T=(1000 / data[:,0]) * u.K,
-    data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.MPa**(-.5),
+    data_T=(1000 / data[:, 0]) * u.K,
+    data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.MPa ** (-0.5),
     source="hu_hydrogen_2015",
     isotope="H",
     note="Figure 6",

h_transport_materials/property_database/FeCrAl/t54y/__init__.py

@@ -1,2 +1 @@
 from . import t54y
-

h_transport_materials/property_database/FeCrAl/t54y/t54y.py

@@ -1,7 +1,7 @@
 import h_transport_materials as htm
 from h_transport_materials import (
     Permeability,
-) 
+)
 import numpy as np
 
 u = htm.ureg
@@ -12,8 +12,8 @@
 )
 
 Hu_perm = Permeability(
-    data_T=(1000 / data[:,0]) * u.K,
-    data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.MPa**(-.5),
+    data_T=(1000 / data[:, 0]) * u.K,
+    data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.MPa ** (-0.5),
     source="hu_hydrogen_2015",
     isotope="H",
     note="Figure 6",

h_transport_materials/property_database/FeCrAl/thermacore/__init__.py

@@ -1,2 +1 @@
 from . import thermacore
-

h_transport_materials/property_database/FeCrAl/thermacore/thermacore.py

@@ -1,7 +1,7 @@
 import h_transport_materials as htm
 from h_transport_materials import (
     Permeability,
-) 
+)
 import numpy as np
 
 u = htm.ureg
@@ -12,8 +12,8 @@
 )
 
 van_perm = Permeability(
-    data_T=(1000 / data[:,0]) * u.K,
-    data_y=data[:,1] * u.micromol * u.m**(-1) * u.s**(-1) * u.kPa**(-.5),
+    data_T=(1000 / data[:, 0]) * u.K,
+    data_y=data[:, 1] * u.micromol * u.m ** (-1) * u.s ** (-1) * u.kPa ** (-0.5),
     source="vandeventer_hydrogen_1980",
     isotope="H",
     note="Figure 2",

h_transport_materials/property_database/FeCrAl/thermacore_oxidized/__init__.py

@@ -1,2 +1 @@
 from . import thermacore_oxidized
-

h_transport_materials/property_database/FeCrAl/thermacore_oxidized/thermacore_oxidized.py

@@ -1,7 +1,7 @@
 import h_transport_materials as htm
 from h_transport_materials import (
     Permeability,
-) 
+)
 import numpy as np
 
 u = htm.ureg
@@ -12,8 +12,8 @@
 )
 
 van_perm = Permeability(
-    data_T=(1000 / data[:,0]) * u.K,
-    data_y=data[:,1] * u.micromol * u.m**(-1) * u.s**(-1) * u.kPa**(-.5),
+    data_T=(1000 / data[:, 0]) * u.K,
+    data_y=data[:, 1] * u.micromol * u.m ** (-1) * u.s ** (-1) * u.kPa ** (-0.5),
     source="vandeventer_hydrogen_1980",
     isotope="H",
     note="Figure 2",

h_transport_materials/property_database/__init__.py

@@ -64,3 +64,13 @@
 from . import vanadium_alloy
 
 from . import FeCrAl
+
+from . import yttrium
+
+from . import tzm
+
+from . import palladium_copper
+
+from . import sic
+
+from . import chromium

h_transport_materials/property_database/alumina/alumina.py

@@ -4,7 +4,6 @@
     Solubility,
     Permeability,
 )
-from pathlib import Path
 import numpy as np
 
 u = htm.ureg

h_transport_materials/property_database/beryllium.py

@@ -37,8 +37,10 @@
 dolan_recombination = RecombinationCoeff(
     pre_exp=1.46e-29 * u.m**4 * u.s**-1 * u.particle**-1,
     act_energy=0.214 * u.eV * u.particle**-1,
+    range=(333 * u.K, 800 * u.K),
     source="dolan_assessment_1994",
     isotope="H",
+    note="Comes from a review (p. 14). The data from Hsu 1990 https://doi.org/10.1016/0022-3115(90)90049-S (range taking from them) seems to have been used by the PERI code to extract D/2kr then using D from another source Dolan obtained Kr.",
 )