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https://github.com/openmc-dev/openmc.git
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Move C API notebook to examples/jupyter directory
This commit is contained in:
Paul Romano
parent
28b37011b0
commit
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2 changed files with 1 additions and 0 deletions
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{
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"cells": [
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"This notebook shows how to use the OpenMC C/C++ API through the openmc.lib module. This module is particularly useful for multiphysics coupling because it allows you to update the density of materials and the temperatures of cells in memory, without stopping the simulation.\n",
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"\n",
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"Warning: these bindings are still somewhat experimental and may be subject to change in future versions of OpenMC."
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]
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},
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{
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"cell_type": "code",
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"execution_count": 1,
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"metadata": {},
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"outputs": [],
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"source": [
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"%matplotlib inline\n",
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"import openmc\n",
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"import openmc.lib"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"<b>Generate Input Files</b>\n",
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"\n",
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"Let's start by creating a fuel rod geometry. We will make 10 zones in the z-direction which will allow us to make changes to each zone. Changes in temperature have to be made on the cell, so will make 10 cells in the axial direction. Changes in density have to be made on the material, so we will make 10 water materials. "
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"Materials: we will make a fuel, helium, zircaloy, and 10 water materials. "
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]
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},
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{
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"cell_type": "code",
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"execution_count": 2,
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"metadata": {},
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"outputs": [],
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"source": [
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"material_list = []"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 3,
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"metadata": {},
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"outputs": [],
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"source": [
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"uo2 = openmc.Material(material_id=1, name='UO2 fuel at 2.4% wt enrichment')\n",
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"uo2.set_density('g/cm3', 10.29769)\n",
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"uo2.add_element('U', 1., enrichment=2.4)\n",
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"uo2.add_element('O', 2.)\n",
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"material_list.append(uo2)\n",
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"\n",
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"helium = openmc.Material(material_id=2, name='Helium for gap')\n",
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"helium.set_density('g/cm3', 0.001598)\n",
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"helium.add_element('He', 2.4044e-4)\n",
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"material_list.append(helium)\n",
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"\n",
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"zircaloy = openmc.Material(material_id=3, name='Zircaloy 4')\n",
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"zircaloy.set_density('g/cm3', 6.55)\n",
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"zircaloy.add_element('Sn', 0.014, 'wo')\n",
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"zircaloy.add_element('Fe', 0.00165, 'wo')\n",
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"zircaloy.add_element('Cr', 0.001, 'wo')\n",
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"zircaloy.add_element('Zr', 0.98335, 'wo')\n",
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"material_list.append(zircaloy)\n",
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"\n",
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"for i in range(4, 14):\n",
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" water = openmc.Material(material_id=i)\n",
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" water.set_density('g/cm3', 0.7)\n",
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" water.add_element('H', 2.0)\n",
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" water.add_element('O', 1.0)\n",
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" water.add_s_alpha_beta('c_H_in_H2O')\n",
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" material_list.append(water)\n",
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" \n",
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"materials_file = openmc.Materials(material_list)\n",
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"materials_file.export_to_xml()"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"Cells: we will make a fuel cylinder, a gap cylinder, a cladding cylinder, and a water exterior. Each one will be broken into 10 cells which are the 10 axial zones. The z_list is the list of axial positions that delimit those 10 zones. To keep track of all the cells, we will create lists: fuel_list, gap_list, clad_list, and water_list. "
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]
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},
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{
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"cell_type": "code",
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"execution_count": 4,
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"metadata": {},
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"outputs": [],
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"source": [
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"pitch = 1.25984\n",
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"fuel_or = openmc.ZCylinder(r=0.39218)\n",
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"clad_ir = openmc.ZCylinder(r=0.40005)\n",
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"clad_or = openmc.ZCylinder(r=0.4572)\n",
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"left = openmc.XPlane(x0=-pitch/2)\n",
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"right = openmc.XPlane(x0=pitch/2)\n",
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"back = openmc.YPlane(y0=-pitch/2)\n",
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"front = openmc.YPlane(y0=pitch/2)\n",
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"z = [0., 30., 60., 90., 120., 150., 180., 210., 240., 270., 300.]\n",
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"z_list = [openmc.ZPlane(z0=z_i) for z_i in z]"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 5,
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"metadata": {},
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"outputs": [],
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"source": [
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"left.boundary_type = 'reflective'\n",
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"right.boundary_type = 'reflective'\n",
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"front.boundary_type = 'reflective'\n",
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"back.boundary_type = 'reflective'\n",
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"z_list[0].boundary_type = 'vacuum'\n",
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"z_list[-1].boundary_type = 'vacuum'"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 6,
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"metadata": {},
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"outputs": [],
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"source": [
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"fuel_list = []\n",
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"gap_list = []\n",
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"clad_list = []\n",
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"water_list = []\n",
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"for i in range(1, 11):\n",
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" fuel_list.append(openmc.Cell(cell_id=i))\n",
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" gap_list.append(openmc.Cell(cell_id=i+10))\n",
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" clad_list.append(openmc.Cell(cell_id=i+20))\n",
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" water_list.append(openmc.Cell(cell_id=i+30))\n",
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" \n",
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"for j, fuels in enumerate(fuel_list):\n",
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" fuels.region = -fuel_or & +z_list[j] & -z_list[j+1]\n",
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" fuels.fill = uo2\n",
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" fuels.temperature = 800.\n",
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"\n",
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"for j, gaps in enumerate(gap_list):\n",
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" gaps.region = +fuel_or & -clad_ir & +z_list[j] & -z_list[j+1]\n",
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" gaps.fill = helium\n",
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" gaps.temperature = 700.\n",
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"\n",
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"for j, clads in enumerate(clad_list):\n",
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" clads.region = +clad_ir & -clad_or & +z_list[j] & -z_list[j+1]\n",
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" clads.fill = zircaloy\n",
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" clads.temperature = 600.\n",
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"\n",
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"for j, waters in enumerate(water_list):\n",
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" waters.region = +clad_or & +left & -right & +back & -front & +z_list[j] & -z_list[j+1]\n",
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" waters.fill = material_list[j+3]\n",
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" waters.temperature = 500."
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]
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},
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{
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"cell_type": "code",
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"execution_count": 7,
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"metadata": {},
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"outputs": [],
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"source": [
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"root = openmc.Universe(name='root universe')\n",
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"root.add_cells(fuel_list)\n",
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"root.add_cells(gap_list)\n",
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"root.add_cells(clad_list)\n",
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"root.add_cells(water_list)\n",
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"geometry_file = openmc.Geometry(root)\n",
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"geometry_file.export_to_xml()"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"If you are coupling this externally to a heat transfer solver, you will want to know the heat deposited by each fuel cell. So let's create a cell filter for the recoverable fission heat. "
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]
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},
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{
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"cell_type": "code",
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"execution_count": 8,
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"metadata": {},
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"outputs": [],
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"source": [
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"cell_filter = openmc.CellFilter(fuel_list)\n",
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"t = openmc.Tally(tally_id=1)\n",
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"t.filters.append(cell_filter)\n",
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"t.scores = ['fission-q-recoverable']\n",
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"tallies = openmc.Tallies([t])\n",
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"tallies.export_to_xml()"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"Let's plot our geometry to make sure it looks like we expect. Since we made new water materials in each axial cell, and we have centered the plot at 150, we should see one color for the water material in the bottom half and a different color for the water material in the top half. "
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]
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},
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{
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"cell_type": "code",
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"execution_count": 19,
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"metadata": {},
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"outputs": [
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{
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"data": {
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"text/plain": [
|
||||
"<matplotlib.image.AxesImage at 0x126d642e0>"
|
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]
|
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},
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"execution_count": 19,
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"metadata": {},
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"output_type": "execute_result"
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},
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{
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"data": {
|
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"image/png": "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\n",
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"text/plain": [
|
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"<Figure size 432x288 with 1 Axes>"
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]
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},
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"metadata": {
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"needs_background": "light"
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},
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"output_type": "display_data"
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}
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],
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"source": [
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"root.plot(basis='yz', width=[2, 10], color_by='material', origin=[0., 0., 150.], pixels=[400, 400])"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"Settings: everything will be standard except for the temperature settings. Since we will be working with specified temperatures, you will need temperature dependent data. I typically use the endf data found here: https://openmc.org/official-data-libraries/\n",
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"Make sure your cross sections environment variable is pointing to temperature-dependent data before using the following settings."
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]
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},
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{
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"cell_type": "code",
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"execution_count": 13,
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"metadata": {},
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"outputs": [],
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"source": [
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"lower_left = [-0.62992, -pitch/2, 0]\n",
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"upper_right = [+0.62992, +pitch/2, +300]\n",
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"uniform_dist = openmc.stats.Box(lower_left, upper_right, only_fissionable=True)\n",
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"\n",
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"settings_file = openmc.Settings()\n",
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"settings_file.batches = 100\n",
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"settings_file.inactive = 10\n",
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"settings_file.particles = 10000\n",
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"settings_file.temperature = {'multipole': True, 'method': 'interpolation', 'range': [290, 2500]}\n",
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"settings_file.source = openmc.source.Source(space=uniform_dist)\n",
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"settings_file.export_to_xml()"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"To run a regular simulation, just use openmc.run(). \n",
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"However, we want to run a simulation that we can stop in the middle and update the material and cell properties. So we will use openmc.lib."
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]
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},
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{
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"cell_type": "code",
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"execution_count": 14,
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"metadata": {},
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"outputs": [],
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"source": [
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"openmc.lib.init()\n",
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"openmc.lib.simulation_init()"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"There are 10 inactive batches, so we need to run next_batch() at least 10 times before the tally is activated. "
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]
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},
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{
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"cell_type": "code",
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"execution_count": 15,
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"metadata": {},
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"outputs": [],
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"source": [
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"for _ in range(14):\n",
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" openmc.lib.next_batch()"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"Let's take a look at the tally. There are 10 entries, one for each cell in the fuel."
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]
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},
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{
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"cell_type": "code",
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"execution_count": 16,
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"metadata": {},
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"outputs": [
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{
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"name": "stdout",
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"output_type": "stream",
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"text": [
|
||||
"[[ 4178272.4202991 ]\n",
|
||||
" [ 9595363.82759911]\n",
|
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" [12307462.30060902]\n",
|
||||
" [11772927.66594472]\n",
|
||||
" [11892601.29001472]\n",
|
||||
" [12203397.88895767]\n",
|
||||
" [12851791.20965905]\n",
|
||||
" [11760027.45873386]\n",
|
||||
" [ 9293110.94735569]\n",
|
||||
" [ 4511597.61592287]]\n"
|
||||
]
|
||||
}
|
||||
],
|
||||
"source": [
|
||||
"t = openmc.lib.tallies[1]\n",
|
||||
"print(t.mean)"
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "markdown",
|
||||
"metadata": {},
|
||||
"source": [
|
||||
"Now, let's make some changes to the temperatures. For this, we need to identify each cell by its id. We can use get_temperature() to compare the temperatures of the cells before and after the change. "
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 17,
|
||||
"metadata": {},
|
||||
"outputs": [
|
||||
{
|
||||
"name": "stdout",
|
||||
"output_type": "stream",
|
||||
"text": [
|
||||
"fuel temperature is: \n",
|
||||
"800.0\n",
|
||||
"gap temperature is: \n",
|
||||
"700.0\n",
|
||||
"clad temperature is: \n",
|
||||
"600.0\n",
|
||||
"water temperature is: \n",
|
||||
"500.00000000000006\n"
|
||||
]
|
||||
}
|
||||
],
|
||||
"source": [
|
||||
"print(\"fuel temperature is: \")\n",
|
||||
"print(openmc.lib.cells[5].get_temperature())\n",
|
||||
"print(\"gap temperature is: \")\n",
|
||||
"print(openmc.lib.cells[15].get_temperature())\n",
|
||||
"print(\"clad temperature is: \")\n",
|
||||
"print(openmc.lib.cells[25].get_temperature())\n",
|
||||
"print(\"water temperature is: \")\n",
|
||||
"print(openmc.lib.cells[35].get_temperature())"
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 18,
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": [
|
||||
"for i in range(1, 11):\n",
|
||||
" temp = 900.0\n",
|
||||
" openmc.lib.cells[i].set_temperature(temp)"
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 19,
|
||||
"metadata": {},
|
||||
"outputs": [
|
||||
{
|
||||
"name": "stdout",
|
||||
"output_type": "stream",
|
||||
"text": [
|
||||
"fuel temperature is: \n",
|
||||
"899.9999999999999\n"
|
||||
]
|
||||
}
|
||||
],
|
||||
"source": [
|
||||
"print(\"fuel temperature is: \")\n",
|
||||
"print(openmc.lib.cells[5].get_temperature())"
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "markdown",
|
||||
"metadata": {},
|
||||
"source": [
|
||||
"Let's make a similar change for the water density. Again, we need to identify each material by its id."
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 20,
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": [
|
||||
"for i in range(4, 14):\n",
|
||||
" density = 0.65\n",
|
||||
" openmc.lib.materials[i].set_density(density, units='g/cm3')"
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "markdown",
|
||||
"metadata": {},
|
||||
"source": [
|
||||
"The new batches we run will use the new material and cell properties."
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 21,
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": [
|
||||
"for _ in range(14):\n",
|
||||
" openmc.lib.next_batch()"
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "markdown",
|
||||
"metadata": {},
|
||||
"source": [
|
||||
"When you're ready to end the simulation, use the following:"
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 22,
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": [
|
||||
"openmc.lib.simulation_finalize()\n",
|
||||
"openmc.lib.finalize()"
|
||||
]
|
||||
}
|
||||
],
|
||||
"metadata": {
|
||||
"kernelspec": {
|
||||
"display_name": "Python 3",
|
||||
"language": "python",
|
||||
"name": "python3"
|
||||
},
|
||||
"language_info": {
|
||||
"codemirror_mode": {
|
||||
"name": "ipython",
|
||||
"version": 3
|
||||
},
|
||||
"file_extension": ".py",
|
||||
"mimetype": "text/x-python",
|
||||
"name": "python",
|
||||
"nbconvert_exporter": "python",
|
||||
"pygments_lexer": "ipython3",
|
||||
"version": "3.9.0"
|
||||
}
|
||||
},
|
||||
"nbformat": 4,
|
||||
"nbformat_minor": 4
|
||||
}
|
||||
1
docs/source/examples/capi.ipynb
Symbolic link
1
docs/source/examples/capi.ipynb
Symbolic link
|
|
@ -0,0 +1 @@
|
|||
../../../examples/jupyter/capi.ipynb
|
||||
Loading…
Add table
Add a link
Reference in a new issue