libra-toolbox 0.8__tar.gz → 0.9__tar.gz

{libra_toolbox-0.8/libra_toolbox.egg-info → libra_toolbox-0.9}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: libra-toolbox
-Version: 0.8
+Version: 0.9
 Summary: Design and analysis tools for LIBRA project
 Author-email: Remi Delaporte-Mathurin <remidm@mit.edu>
 License: MIT License

{libra_toolbox-0.8 → libra_toolbox-0.9}/libra_toolbox/_version.py

@@ -17,5 +17,5 @@ __version__: str
 __version_tuple__: VERSION_TUPLE
 version_tuple: VERSION_TUPLE
 
-__version__ = version = '0.8'
-__version_tuple__ = version_tuple = (0, 8)
+__version__ = version = '0.9'
+__version_tuple__ = version_tuple = (0, 9)

{libra_toolbox-0.8 → libra_toolbox-0.9}/libra_toolbox/neutron_detection/activation_foils/compass.py

@@ -938,26 +938,50 @@ def get_events(directory: str) -> Tuple[Dict[int, np.ndarray], Dict[int, np.ndar
         time_values[ch] = np.empty(0)
         energy_values[ch] = np.empty(0)
         for i, filename in enumerate(data_filenames[ch]):
+            print(f'Processing File {i}')
+
+            csv_file_path = os.path.join(directory, filename)
 
             # only the first file has a header
             if i == 0:
-                header = 0
+                # determine the column names
+                # 
+                # Typically, setting the header argument to 1
+                # would normally work, but on some CoMPASS csv
+                # files, specifically those with waveform data,
+                # the column header has far fewer entries
+                # than the number of columns in the csv file.
+                # This is due to the "SAMPLES" column, which 
+                # contains the waveform data actually being made
+                # up of the 7th-nth column of an n column csv file.
+                #
+                # So to mitigate this, we will read in the header
+                # manually and determine which column of 
+                # the dataset to read in. 
+                first_row_df = pd.read_csv(csv_file_path,
+                                           delimiter=";",
+                                           header=None,
+                                           nrows=1)
+                column_names = first_row_df.to_numpy()[0]
+                # Determine which column applies to time and energy
+                time_col = np.where(column_names=="TIMETAG")[0][0]
+                energy_col = np.where(column_names=="ENERGY")[0][0]
+                # First csv file has header, so skip it
+                # because we already read it in
+                skiprows=1
             else:
-                header = None
-
-            csv_file_path = os.path.join(directory, filename)
+                # For subsequent csv files, don't skip any rows
+                # as there won't be any header
+                skiprows=0
 
-            df = pd.read_csv(csv_file_path, delimiter=";", header=header)
 
-            # read the header and store in names
-            if i == 0:
-                names = df.columns.values
-            else:
-                # apply the column names if not the first file
-                df.columns = names
+            df = pd.read_csv(csv_file_path, 
+                             delimiter=";", 
+                             header=None,
+                             skiprows=skiprows)
 
-            time_data = df["TIMETAG"].to_numpy()
-            energy_data = df["ENERGY"].to_numpy()
+            time_data = df[time_col].to_numpy()
+            energy_data = df[energy_col].to_numpy()
 
             # Extract and append the energy data to the list
             time_values[ch] = np.concatenate([time_values[ch], time_data])

{libra_toolbox-0.8 → libra_toolbox-0.9}/libra_toolbox/neutronics/__init__.py

@@ -1,2 +1,3 @@
 from .neutron_source import *
 from .vault import *
+from . import materials

libra_toolbox-0.9/libra_toolbox/neutronics/materials.py

@@ -0,0 +1,312 @@
+import openmc
+
+
+def get_exp_cllif_density(temp, LiCl_frac=0.695):
+    """Calculates density of ClLiF [g/cc] from temperature in Celsius
+    and molar concentration of LiCl. Valid for 660 C - 1000 C.
+    Source:
+    G. J. Janz, R. P. T. Tomkins, C. B. Allen;
+    Molten Salts: Volume 4, Part 4
+    Mixed Halide Melts Electrical Conductance, Density, Viscosity, and Surface Tension Data.
+    J. Phys. Chem. Ref. Data 1 January 1979; 8 (1): 125–302.
+    https://doi.org/10.1063/1.555590
+    """
+    temp = temp + 273.15  # Convert temperature from Celsius to Kelvin
+    C = LiCl_frac * 100  # Convert molar concentration to molar percent
+
+    a = 2.25621
+    b = -8.20475e-3
+    c = -4.09235e-4
+    d = 6.37250e-5
+    e = -2.52846e-7
+    f = 8.73570e-9
+    g = -5.11184e-10
+
+    rho = a + b * C + c * temp + d * C**2 + e * C**3 + f * temp * C**2 + g * C * temp**2
+
+    return rho
+
+
+# Define Materials
+# Source: PNNL Materials Compendium April 2021
+# PNNL-15870, Rev. 2
+Inconel625 = openmc.Material(name="Inconel 625")
+Inconel625.set_density("g/cm3", 8.44)
+Inconel625.add_element("C", 0.000990, "wo")
+Inconel625.add_element("Al", 0.003960, "wo")
+Inconel625.add_element("Si", 0.004950, "wo")
+Inconel625.add_element("P", 0.000148, "wo")
+Inconel625.add_element("S", 0.000148, "wo")
+Inconel625.add_element("Ti", 0.003960, "wo")
+Inconel625.add_element("Cr", 0.215000, "wo")
+Inconel625.add_element("Mn", 0.004950, "wo")
+Inconel625.add_element("Fe", 0.049495, "wo")
+Inconel625.add_element("Co", 0.009899, "wo")
+Inconel625.add_element("Ni", 0.580000, "wo")
+Inconel625.add_element("Nb", 0.036500, "wo")
+Inconel625.add_element("Mo", 0.090000, "wo")
+
+# alumina insulation
+# data from https://precision-ceramics.com/materials/alumina/
+Alumina = openmc.Material(name="Alumina insulation")
+Alumina.add_element("O", 0.6, "ao")
+Alumina.add_element("Al", 0.4, "ao")
+Alumina.set_density("g/cm3", 3.98)
+
+# epoxy
+Epoxy = openmc.Material(name="Epoxy")
+Epoxy.add_element("C", 0.70, "wo")
+Epoxy.add_element("H", 0.08, "wo")
+Epoxy.add_element("O", 0.15, "wo")
+Epoxy.add_element("N", 0.07, "wo")
+Epoxy.set_density("g/cm3", 1.2)
+
+# helium @5psig
+pressure = 34473.8  # Pa ~ 5 psig
+temperature = 300  # K
+R_he = 2077  # J/(kg*K)
+density = pressure / (R_he * temperature)  # in kg/cm^3
+density *= 1 / 1000  # in g/cm^3
+Helium = openmc.Material(name="Helium")
+Helium.add_element("He", 1.0, "ao")
+Helium.set_density("g/cm3", density)
+
+# PbLi - eutectic - natural - pure
+Pbli = openmc.Material(name="pbli")
+Pbli.add_element("Pb", 84.2, "ao")
+Pbli.add_element("Li", 15.2, "ao")
+Pbli.set_density("g/cm3", 11)
+
+# lif-licl - eutectic - natural - pure
+Cllif = openmc.Material(name="ClLiF")
+LiCl_frac = 0.695  # at.fr.
+
+Cllif.add_element("F", 0.5 * (1 - LiCl_frac), "ao")
+Cllif.add_element("Li", 1.0, "ao")
+Cllif.add_element("Cl", 0.5 * LiCl_frac, "ao")
+Cllif.set_density("g/cm3", get_exp_cllif_density(650))  # 69.5 at. % LiCL at 650 C
+
+# lif-licl - eutectic - natural - EuF3 spiced
+Spicyclif = openmc.Material(name="spicyclif")
+Spicyclif.add_element("F", 0.15935, "wo")
+Spicyclif.add_element("Li", 0.17857, "wo")
+Spicyclif.add_element("Cl", 0.6340, "wo")
+Spicyclif.add_element("Eu", 0.0279, "wo")
+
+# FLiNaK - eutectic - natural - pure
+Flinak = openmc.Material(name="flinak")
+Flinak.add_element("F", 50, "ao")
+Flinak.add_element("Li", 23.25, "ao")
+Flinak.add_element("Na", 5.75, "ao")
+Flinak.add_element("K", 21, "ao")
+Flinak.set_density("g/cm3", 2.020)
+
+
+# Aluminum : 2.6989 g/cm3
+Aluminum = openmc.Material()
+Aluminum.set_density("g/cm3", 2.6989)
+Aluminum.add_nuclide("Al27", 1.0, "ao")
+
+# Name: Air
+# Density : 0.001205 g/cm3
+# Reference: None
+# Describes: All atmospheric, non-object chambers
+Air = openmc.Material(name="Air")
+Air.set_density("g/cm3", 0.001205)
+Air.add_element("C", 0.00015, "ao")
+Air.add_nuclide("N14", 0.784431, "ao")
+Air.add_nuclide("O16", 0.210748, "ao")
+Air.add_nuclide("Ar40", 0.004671, "ao")
+
+# Name: Portland concrete
+# Density: 2.3 g/cm3
+# Reference: PNNL Report 15870 (Rev. 1)
+# Describes: facility foundation, floors, walls
+Concrete = openmc.Material()
+Concrete.set_density("g/cm3", 2.3)
+Concrete.add_nuclide("H1", 0.168759, "ao")
+Concrete.add_element("C", 0.001416, "ao")
+Concrete.add_nuclide("O16", 0.562524, "ao")
+Concrete.add_nuclide("Na23", 0.011838, "ao")
+Concrete.add_element("Mg", 0.0014, "ao")
+Concrete.add_nuclide("Al27", 0.021354, "ao")
+Concrete.add_element("Si", 0.204115, "ao")
+Concrete.add_element("K", 0.005656, "ao")
+Concrete.add_element("Ca", 0.018674, "ao")
+Concrete.add_element("Fe", 0.004264, "ao")
+
+# Name: Portland iron concrete
+# Density: 3.8 g/cm3 as roughly measured using scale and assuming rectangular prism
+# Reference: PNNL Report 15870 (Rev. 1)
+# Describes: Potential new walls, shielding doors
+IronConcrete = openmc.Material()
+IronConcrete.set_density("g/cm3", 3.8)
+IronConcrete.add_nuclide("H1", 0.135585, "ao")
+IronConcrete.add_nuclide("O16", 0.150644, "ao")
+IronConcrete.add_element("Mg", 0.002215, "ao")
+IronConcrete.add_nuclide("Al27", 0.005065, "ao")
+IronConcrete.add_element("Si", 0.013418, "ao")
+IronConcrete.add_element("S", 0.000646, "ao")
+IronConcrete.add_element("Ca", 0.040919, "ao")
+IronConcrete.add_nuclide("Mn55", 0.002638, "ao")
+IronConcrete.add_element("Fe", 0.648869, "ao")
+
+#
+# Lead : 11.34 g/cm3
+Lead = openmc.Material()
+Lead.set_density("g/cm3", 11.34)
+Lead.add_nuclide("Pb204", 0.014, "ao")
+Lead.add_nuclide("Pb206", 0.241, "ao")
+Lead.add_nuclide("Pb207", 0.221, "ao")
+Lead.add_nuclide("Pb208", 0.524, "ao")
+
+# Name: Borated Polyethylene (5% B in via B4C additive)
+# Density: 0.95 g/cm3
+# Reference: PNNL Report 15870 (Rev. 1) but revised to make it 5 wt.% B
+# Describes: General purpose neutron shielding
+BPE = openmc.Material()
+BPE.set_density("g/cm3", 0.95)
+BPE.add_nuclide("H1", 0.1345, "wo")
+BPE.add_element("B", 0.0500, "wo")
+BPE.add_element("C", 0.8155, "wo")
+
+# High Density Polyethylene
+# Reference:  PNNL Report 15870 (Rev. 1)
+HDPE = openmc.Material(name="HDPE")
+HDPE.set_density("g/cm3", 0.95)
+HDPE.add_element("H", 0.143724, "wo")
+HDPE.add_element("C", 0.856276, "wo")
+
+# Soil material taken from PNNL Materials Compendium for Earth, U.S. Average
+Soil = openmc.Material(name="Soil")
+Soil.set_density("g/cm3", 1.52)
+Soil.add_element("O", 0.670604, percent_type="ao")
+Soil.add_element("Na", 0.005578, percent_type="ao")
+Soil.add_element("Mg", 0.011432, percent_type="ao")
+Soil.add_element("Al", 0.053073, percent_type="ao")
+Soil.add_element("Si", 0.201665, percent_type="ao")
+Soil.add_element("K", 0.007653, percent_type="ao")
+Soil.add_element("Ca", 0.026664, percent_type="ao")
+Soil.add_element("Ti", 0.002009, percent_type="ao")
+Soil.add_element("Mn", 0.000272, percent_type="ao")
+Soil.add_element("Fe", 0.021050, percent_type="ao")
+
+# Brick material taken from "Brick, Common Silica" from the PNNL Materials Compendium
+# PNNL-15870, Rev. 2
+Brick = openmc.Material(name="Brick")
+Brick.set_density("g/cm3", 1.8)
+Brick.add_element("O", 0.663427, percent_type="ao")
+Brick.add_element("Al", 0.003747, percent_type="ao")
+Brick.add_element("Si", 0.323229, percent_type="ao")
+Brick.add_element("Ca", 0.007063, percent_type="ao")
+Brick.add_element("Fe", 0.002534, percent_type="ao")
+
+RicoRad = openmc.Material(name="RicoRad")
+RicoRad.set_density("g/cm3", 0.945)
+RicoRad.add_element("H", 0.14, percent_type="wo")
+RicoRad.add_element("C", 0.84, percent_type="wo")
+RicoRad.add_element("B", 0.02, percent_type="wo")
+
+# LIBRA Materials
+Steel = openmc.Material(name="Steel")
+Steel.add_element("C", 0.005, "wo")
+Steel.add_element("Fe", 0.995, "wo")
+Steel.set_density("g/cm3", 7.82)
+
+# Stainless Steel 304 from PNNL Materials Compendium (PNNL-15870 Rev2)
+SS304 = openmc.Material(name="Stainless Steel 304")
+# SS304.temperature = 700 + 273
+SS304.add_element("C", 0.000800, "wo")
+SS304.add_element("Mn", 0.020000, "wo")
+SS304.add_element("P", 0.000450, "wo")
+SS304.add_element("S", 0.000300, "wo")
+SS304.add_element("Si", 0.010000, "wo")
+SS304.add_element("Cr", 0.190000, "wo")
+SS304.add_element("Ni", 0.095000, "wo")
+SS304.add_element("Fe", 0.683450, "wo")
+SS304.set_density("g/cm3", 8.00)
+
+# Using Microtherm with 1 a% Al2O3, 27 a% ZrO2, and 72 a% SiO2
+# https://www.foundryservice.com/product/microporous-silica-insulating-boards-mintherm-microtherm-1925of-grades/
+Firebrick = openmc.Material(name="Firebrick")
+# Estimate average temperature of Firebrick to be around 300 C
+# Firebrick.temperature = 273 + 300
+Firebrick.add_element("Al", 0.004, "ao")
+Firebrick.add_element("O", 0.666, "ao")
+Firebrick.add_element("Si", 0.240, "ao")
+Firebrick.add_element("Zr", 0.090, "ao")
+Firebrick.set_density("g/cm3", 0.30)
+
+# Using 2:1 atom ratio of LiF to BeF2, similar to values in
+# Seifried, Jeffrey E., et al. ‘A General Approach for Determination of
+# Acceptable FLiBe Impurity Concentrations in Fluoride-Salt Cooled High
+# Temperature Reactors (FHRs)’. Nuclear Engineering and Design, vol. 343, 2019,
+# pp. 85–95, https://doi.org10.1016/j.nucengdes.2018.09.038.
+# Also using natural lithium enrichment (~7.5 a% Li6)
+Flibe_nat = openmc.Material(name="Flibe_nat")
+# Flibe_nat.temperature = 700 + 273
+Flibe_nat.add_element("Be", 0.142857, "ao")
+Flibe_nat.add_nuclide("Li6", 0.021685, "ao")
+Flibe_nat.add_nuclide("Li7", 0.264029, "ao")
+Flibe_nat.add_element("F", 0.571429, "ao")
+Flibe_nat.set_density("g/cm3", 1.94)
+
+Copper = openmc.Material(name="Copper")
+# Estimate copper temperature to be around 100 C
+# Copper.temperature = 100 + 273
+Copper.add_element("Cu", 1.0, "ao")
+Copper.set_density("g/cm3", 8.96)
+
+Beryllium = openmc.Material(name="Beryllium")
+# Estimate Be temperature to be around 100 C
+# Be.temperature = 100 + 273
+Beryllium.add_element("Be", 1.0, "ao")
+Beryllium.set_density("g/cm3", 1.848)
+
+# Heater
+Heater_mat = openmc.Material(name="heater")
+Heater_mat.add_element("C", 0.000990, "wo")
+Heater_mat.add_element("Al", 0.003960, "wo")
+Heater_mat.add_element("Si", 0.004950, "wo")
+Heater_mat.add_element("P", 0.000148, "wo")
+Heater_mat.add_element("S", 0.000148, "wo")
+Heater_mat.add_element("Ti", 0.003960, "wo")
+Heater_mat.add_element("Cr", 0.215000, "wo")
+Heater_mat.add_element("Mn", 0.004950, "wo")
+Heater_mat.add_element("Fe", 0.049495, "wo")
+Heater_mat.add_element("Co", 0.009899, "wo")
+Heater_mat.add_element("Ni", 0.580000, "wo")
+Heater_mat.add_element("Nb", 0.036500, "wo")
+Heater_mat.add_element("Mo", 0.090000, "wo")
+Heater_mat.set_density("g/cm3", 2.44)
+
+# Lithium-Lead
+# Composition from certificate of analysis provided with Lithium-Lead from Camex
+Lithium_lead = openmc.Material(name="Lithium Lead")
+Lithium_lead.add_element("Pb", 0.993479, "wo")
+Lithium_lead.add_element("Li", 0.0064, "wo")
+Lithium_lead.add_element("Tl", 0.00002, "wo")
+Lithium_lead.add_element("Zn", 0.000002, "wo")
+Lithium_lead.add_element("Sn", 0.000002, "wo")
+Lithium_lead.add_element("Sb", 0.000002, "wo")
+Lithium_lead.add_element("Ni", 0.000001, "wo")
+Lithium_lead.add_element("Cu", 0.000002, "wo")
+Lithium_lead.add_element("Cd", 0.000002, "wo")
+Lithium_lead.add_element("Bi", 0.00008, "wo")
+Lithium_lead.add_element("As", 0.000002, "wo")
+Lithium_lead.add_element("Ag", 0.000008, "wo")
+Lithium_lead.set_density("g/cm3", 9.10411395)  # Density at 600C
+
+# 316L Stainless Steel
+# Data from https://www.thyssenkrupp-materials.co.uk/stainless-steel-316l-14404.html
+SS316L = openmc.Material(name="316L Steel")
+SS316L.add_element("C", 0.0003, "wo")
+SS316L.add_element("Si", 0.01, "wo")
+SS316L.add_element("Mn", 0.02, "wo")
+SS316L.add_element("P", 0.00045, "wo")
+SS316L.add_element("S", 0.000151, "wo")
+SS316L.add_element("Cr", 0.175, "wo")
+SS316L.add_element("Ni", 0.115, "wo")
+SS316L.add_element("N", 0.001, "wo")
+SS316L.add_element("Mo", 0.00225, "wo")
+SS316L.add_element("Fe", 0.655599, "wo")