From 069480873088b7296a1128cccd643a321b8a5580 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Mon, 14 Nov 2022 15:51:07 -0600
Subject: [PATCH] fix openmc model material compositons the original model's
 material compositions did not match what is in the Robertson report. This
 commit fixes that for the OpenMC version of the model

---
 examples/msbr/openmc_msbr_model.py | 45 ++++++++++++++++++++++--------
 1 file changed, 33 insertions(+), 12 deletions(-)

diff --git a/examples/msbr/openmc_msbr_model.py b/examples/msbr/openmc_msbr_model.py
index 1ccc5704e..02ca1bbd2 100644
--- a/examples/msbr/openmc_msbr_model.py
+++ b/examples/msbr/openmc_msbr_model.py
@@ -11,27 +11,48 @@
 # Materials
 
 fuel = openmc.Material(name='fuel')
-fuel.set_density('g/cm3', density=3.35)
-fuel.add_components({'Li7': 0.0787474673879085,
-                     'Be9': 0.0225566879138321,
-                     'F19': 0.454003012179284,
-                     'Th232': 0.435579130482336,
-                     'U233': 0.00911370203663893},
-                    percent_type='wo')
+fuel.set_density('g/cm3', density=3.3332642)
+fuel.add_components({'Li': {'percent': 0.3585,
+                            'enrichment': 95.995,
+                            'enrichment_target': 'Li7',
+                            'percent_type': 'ao'},
+                     'F19': 0.5635666666666667,
+                     'Be9': 0.05333333333333333,
+                     'Th232': 0.024,
+                     'U233': 0.0006},
+                    percent_type='ao')
 fuel.depletable = True
 fuel.volume = 48710000.0
 
 moder = openmc.Material(name='graphite')
-moder.set_density('g/cm3', density=1.84)
+moder.set_density('g/cm3', density=1.843)
 moder.add_nuclide('C0', 1.000, percent_type='wo')
 moder.add_s_alpha_beta('c_Graphite')
 
 hast = openmc.Material(name='hastelloyN')
 hast.set_density('g/cm3', density=8.671)
-hast.add_components({'Al27': 0.003,
-                     'Ni': 0.677,
-                     'W': 0.250,
-                     'Cr': 0.070},
+#hast.add_components({'Al27': 0.003,
+#                     'Ni': 0.677,
+#                     'W': 0.250,
+#                     'Cr': 0.070},
+#                    percent_type='wo')
+hast.add_components({'Ni': 0.73709,
+                     'Mo': 0.12,
+                     'Cr': 0.07,
+                     'Fe': 0.03,
+                     'C': 0.0006,
+                     'Mn': 0.0035,
+                     'Si': 0.001,
+                     'W': 0.001,
+                     'Al': 0.001,
+                     'Ti': 0.0125, #avg
+                     'Cu': 0.001,
+                     'Co': 0.002,
+                     'P': 0.00015,
+                     'S': 0.00015,
+                     'B': 0.000010,
+                     'Hf': 0.01,
+                     'Nb': 0.01},
                     percent_type='wo')
 
 mat = openmc.Materials(materials=[fuel, moder, hast])