From 70065ff82daa58f7b5e799762c0de9a2c2a139a1 Mon Sep 17 00:00:00 2001
From: Connor Moore <connor@hhmoore.ca>
Date: Mon, 2 Mar 2026 15:06:15 -0500
Subject: Added missing densities for materials, calculated DTU, masses, etc..
 for 37-element bundle.

---
 .gitignore  |  1 +
 candu-37.py | 25 ++++++++++++++++++++++++-
 2 files changed, 25 insertions(+), 1 deletion(-)

diff --git a/.gitignore b/.gitignore
index d72ed98..6141a39 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,3 +1,4 @@
 *.xml
 *.h5
 *.pkl
+*.csv
diff --git a/candu-37.py b/candu-37.py
index 281c339..08a90e1 100644
--- a/candu-37.py
+++ b/candu-37.py
@@ -34,6 +34,7 @@ mat_zircaloy_2.add_nuclide("Zr92",  0.169730,"wo")
 mat_zircaloy_2.add_nuclide("Zr94",  0.175752,"wo")
 mat_zircaloy_2.add_nuclide("Zr96",  0.028918,"wo")
 mat_zircaloy_2.add_element("Sn",    0.013962,"wo")
+mat_zircaloy_2.set_density("g/cc",6.56)
 
 #> The fuel cladding uses Zircaloy-4
 mat_zircaloy_4 = openmc.Material(name="Zircaloy-4 (PNNL-15870")
@@ -48,6 +49,7 @@ mat_zircaloy_4.add_nuclide("Zr92",  0.169646,"wo")
 mat_zircaloy_4.add_nuclide("Zr94",  0.175665,"wo")
 mat_zircaloy_4.add_nuclide("Zr96",  0.028904,"wo")
 mat_zircaloy_4.add_element("Sn",    0.013955,"wo")
+mat_zircaloy_4.set_density("g/cc",6.56)
 
 #> Heavy water is used for moderation and cooling
 mat_d2o = openmc.Material(name="Heavy Water (PNNL-15870)")
@@ -56,6 +58,7 @@ mat_d2o.add_nuclide("O16",  0.796703,"wo")
 mat_d2o.add_nuclide("O17",  0.000323,"wo")
 mat_d2o.add_nuclide("O18",  0.001842,"wo")
 mat_d2o.add_s_alpha_beta("c_D_in_D2O")
+mat_d2o.set_density("g/cc",1.1044)
 
 materials = openmc.Materials([mat_fuel, mat_zircaloy_2, mat_zircaloy_4, mat_d2o])
 materials.export_to_xml()
@@ -164,8 +167,28 @@ settings.source.space = openmc.stats.CylindricalIndependent(
         )
 settings.source.energy = openmc.stats.Watt()
 
-
 settings.export_to_xml()
 
+
+### Area and DTU Calculations ###
+
+V_fuel = len(fuel_region_list)*np.pi*r_fuel**2
+V_clad = len(clad_region_list)*np.pi*(r_clad**2 - r_fuel**2)
+V_mod = np.pi*pt_inner.r**2 - (V_fuel + V_clad)
+
+d_fuel = mat_fuel.get_nuclide_atom_densities()
+N_fuel = sum(density for nuclide,density in d_fuel.items() if "U" in nuclide)
+
+N_mod = mat_d2o.get_nuclide_atom_densities()['H2']
+DTU_ratio = (V_mod * N_mod) / (V_fuel * N_fuel)
+
+#> Print these for the final table
+print(f"Flow Area, cm² = {V_mod}")
+print(f"Fuel mass per length, g/cm = {V_fuel*mat_fuel.density}")
+print(f"Cladding mass per length, g/cm = {V_clad*mat_zircaloy_4.density}")
+print(f"DTU Ratio = {DTU_ratio}")
+print(f"{V_fuel, V_clad}")
+
+
 #> Run the model!
 openmc.run()
-- 
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