From 97a835cc24b23038bf815a14e8fbaaae0c89860b Mon Sep 17 00:00:00 2001 From: Sam Powell-Gill Date: Tue, 3 Mar 2020 10:53:02 +0000 Subject: [PATCH 1/5] Added section to user guide on Mixing materials. --- docs/source/usersguide/materials.rst | 28 ++++++++++++++++++++++++++++ 1 file changed, 28 insertions(+) diff --git a/docs/source/usersguide/materials.rst b/docs/source/usersguide/materials.rst index 69647342a..e73d5a9ac 100644 --- a/docs/source/usersguide/materials.rst +++ b/docs/source/usersguide/materials.rst @@ -141,6 +141,34 @@ attribute, e.g., :attr:`Material.temperature` or :attr:`Cell.temperature` attributes, respectively. +----------------- +Material Mixtures +----------------- + +In OpenMC it is possible to mix any number of materials to create a new material +with the correct nuclide composition and density. The +:meth:`Material.mix_materials` method takes a list of materials and +a list of their mixing fractions. Mixing fractions can be provided as atomic +fractions, weight fractions or volume fractions. The fraction type +is specifed by adding 'ao', 'wo' or 'vo' respectively as the third argument. +For example, assuming the required materials have already been defined, a MOX +material with 3% plutonium oxide by weight could be created using the following: + +:: + + mox = openmc.Material() + mox.mix_materials([uo2, puo2], [0.97, 0.03], 'wo') + +It should be noted that if mixing fractions are specifed as atomic or weight +fractions, the sum of the given fractions should be one. If volume fractions +are provided and the sum fractions is less than one, the remaining fraction is +set as void material. + +.. warning:: Materials with :math:`S(\alpha,\beta)` thermal scattering data + cannot be used in :meth:`Material.mix_materials`. However, thermal + scattering data can be added to a material created by + :meth:`Material.mix_materials`. + -------------------- Material Collections -------------------- From 56c07815ec4ea40ab4859a815b0b7ad79308ce1d Mon Sep 17 00:00:00 2001 From: Sam Powell-Gill Date: Tue, 3 Mar 2020 13:52:21 +0000 Subject: [PATCH 2/5] Changed example for mix_materials --- docs/source/usersguide/materials.rst | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/docs/source/usersguide/materials.rst b/docs/source/usersguide/materials.rst index e73d5a9ac..154a474c9 100644 --- a/docs/source/usersguide/materials.rst +++ b/docs/source/usersguide/materials.rst @@ -156,8 +156,7 @@ material with 3% plutonium oxide by weight could be created using the following: :: - mox = openmc.Material() - mox.mix_materials([uo2, puo2], [0.97, 0.03], 'wo') + mox = openmc.Material.mix_materials([uo2, puo2], [0.97, 0.03], 'wo') It should be noted that if mixing fractions are specifed as atomic or weight fractions, the sum of the given fractions should be one. If volume fractions From fd90f3f640ae2b8e855a6437e1b539b600782a85 Mon Sep 17 00:00:00 2001 From: Sam Powell-Gill Date: Tue, 3 Mar 2020 14:01:34 +0000 Subject: [PATCH 3/5] Added example of creating MOX to pincell example. --- examples/jupyter/pincell.ipynb | 217 +++++++++++++++++++-------------- 1 file changed, 128 insertions(+), 89 deletions(-) diff --git a/examples/jupyter/pincell.ipynb b/examples/jupyter/pincell.ipynb index e50a4a322..46ae19d8e 100644 --- a/examples/jupyter/pincell.ipynb +++ b/examples/jupyter/pincell.ipynb @@ -173,7 +173,7 @@ "name": "stderr", "output_type": "stream", "text": [ - "/home/romano/openmc/openmc/mixin.py:71: IDWarning: Another Material instance already exists with id=2.\n", + "/home/sam/openmc/openmc/openmc/mixin.py:71: IDWarning: Another Material instance already exists with id=2.\n", " warn(msg, IDWarning)\n" ] } @@ -435,6 +435,39 @@ "uo2_three.set_density('g/cc', 10.0)" ] }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "### Mixtures\n", + "\n", + "In OpenMC it is also possible to define materials by mixing existing materials. For example, if we wanted to create MOX fuel out of a mixture of UO2 (97 wt%) and PuO2 (3 wt%) we could do the following:" + ] + }, + { + "cell_type": "code", + "execution_count": 15, + "metadata": {}, + "outputs": [], + "source": [ + "# Create PuO2 material\n", + "puo2 = openmc.Material()\n", + "puo2.add_nuclide('Pu239', 0.94)\n", + "puo2.add_nuclide('Pu240', 0.06)\n", + "puo2.add_nuclide('O16', 2.0)\n", + "puo2.set_density('g/cm3', 11.5)\n", + "\n", + "# Create the mixture\n", + "mox = openmc.Material.mix_materials([uo2, puo2], [0.97, 0.03], 'wo')" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "The 'wo' argument in the `mix_materials()` method specifies that the fractions are weight fractions. Materials can also be mixed by atomic and volume fractions with 'ao' and 'vo' respectively. For 'ao' and 'wo' the fractions must sum to one. For 'vo' if fractions do not sum to one, the remaining fraction is set as void." + ] + }, { "cell_type": "markdown", "metadata": {}, @@ -456,7 +489,7 @@ }, { "cell_type": "code", - "execution_count": 15, + "execution_count": 16, "metadata": {}, "outputs": [], "source": [ @@ -474,7 +507,7 @@ }, { "cell_type": "code", - "execution_count": 16, + "execution_count": 17, "metadata": {}, "outputs": [], "source": [ @@ -491,7 +524,7 @@ }, { "cell_type": "code", - "execution_count": 17, + "execution_count": 18, "metadata": {}, "outputs": [ { @@ -517,7 +550,7 @@ }, { "cell_type": "code", - "execution_count": 18, + "execution_count": 19, "metadata": {}, "outputs": [], "source": [ @@ -534,7 +567,7 @@ }, { "cell_type": "code", - "execution_count": 19, + "execution_count": 20, "metadata": {}, "outputs": [ { @@ -543,7 +576,7 @@ "(array([-1., -1., 0.]), array([1., 1., 1.]))" ] }, - "execution_count": 19, + "execution_count": 20, "metadata": {}, "output_type": "execute_result" } @@ -561,7 +594,7 @@ }, { "cell_type": "code", - "execution_count": 20, + "execution_count": 21, "metadata": {}, "outputs": [], "source": [ @@ -581,7 +614,7 @@ }, { "cell_type": "code", - "execution_count": 21, + "execution_count": 22, "metadata": {}, "outputs": [], "source": [ @@ -604,7 +637,7 @@ }, { "cell_type": "code", - "execution_count": 22, + "execution_count": 23, "metadata": {}, "outputs": [], "source": [ @@ -624,22 +657,22 @@ }, { "cell_type": "code", - "execution_count": 23, + "execution_count": 24, "metadata": {}, "outputs": [ { "data": { "text/plain": [ - "" + "" ] }, - "execution_count": 23, + "execution_count": 24, "metadata": {}, "output_type": "execute_result" }, { "data": { - "image/png": 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PBet/SdJWYCuwEvjQhO1phK52Fsuny31ExaWQdpmbm4v5+fm6mzESnw5ZWVvCRNKWiJgbZ11/9mfKfK3FoD1hkoPfpl+RWepUdrhZ2/cOlQrNWuey2dznPv2pmE+HZsMshkmPRypmlpVHKjXxiKWbZnmE0uORSs3cCbvD+7LgkUoDeNTSXg6SIzlUGqTcQR0wzeYwGcynPw3lTttc3jfDeaTSYD4tahaHyWgcKi3gcKmXw2RpHCot4msu1XGQjM+h0lIOmPwcJHk4VDrAATM+B0l+DpWO8fWX0ThMpscvKZtZVh6pdJRPiY7k0Uk1HCozoN/B1PWgcYDUZ6JQkfRm4O+B04FzIqLvF8dKugD4Z+Ao4PqI6H1B9qnARuB4YAvwZxHxi0naZKNZeNC1PWQcIs0x6UhlG/AnwKcGLSDpKODjwGuBXcC9kjZFxIPAtcB1EbFR0ieBS4FPTNgmG0ObRjMOkGabKFQi4iGAomzPQOcAOyJiZ1p2I7BO0kMUBdvfnpa7gWLU41BpiMUO3mmFjkOj3aq4pnIS8KPS413AKyhOeX4WEQdK008a9CSSLgMuSw/3S2p94bE+VgI/rbsRUzLytt00/J9U03R1n7143BUXDRVJtwPP6TPrqogYVpEwq3LZU0nz49YkabKubhd0d9u6vF3jrjtRLeUR7aaoTtjzvDTtCeA4SUen0Upvupm1WBVvfrsXOE3SqZKOAdYDm6IojXgXcFFabrFazGbWAhOFiqQ3StoF/D7wdUm3punPlXQLQBqFXA7cCjwEfDkiHkhP8X7gPZJ2UFxj+fSIv3rDJO1usK5uF3R327xdC7SylrKZNZc/+2NmWTlUzCyrVoSKpDdLekDSM5IGvnwn6QJJD0vaIemKKts4DkkrJN0maXv6uXzAcgcl3Zdum6pu56gW+/tLWibppjT/HkmnVN/K8YywbZdI2lPaT++qo51LIekzkh4f9J4vFT6Wtvl+SaO92zEiGn+j+GzRi4G7gbkByxwFPAqsBo4Bvg+cUXfbF9mujwBXpPtXANcOWO7/6m7rCNuy6N8f+Evgk+n+euCmutudcdsuAf6l7rYucbteBZwNbBsw/w3ANwABrwTuGeV5WzFSiYiHIuLhRRY79HGAKD6UuBFYN/3WTWQdxccTSD8vrLEtkxrl71/e3puB12iRz3g0RBv71qIi4lvA3iGLrAM+H4XNFO8rW7XY87YiVEbU7+MAA9/23xAnRsRj6f6PgRMHLHespHlJmyU1NXhG+fsfWiaKtxo8RfFWgqYbtW+9KZ0m3Czp+X3mt81Yx1Rjvk+lKR8HyG3YdpUfRERIGvT6/skRsVvSauBOSVsj4tHcbbWJfA24MSL2S/pzihHZq2tuUy0aEyoxvY8D1GrYdkn6iaRVEfFYGlY+PuA5dqefOyXdDZxFcY7fJKP8/XvL7JJ0NPBsio9rNN2i2xYR5e24nuJ6WduNdUx16fSn78cBam7TYjZRfDwBBnxMQdJyScvS/ZXAucCDlbVwdKP8/cvbexFwZ6Qrgg236LYtuNawluLd4223CXhHehXolcBTpdP1weq+Aj3iVeo3UpzP7Qd+Atyapj8XuGXB1epHKP6LX1V3u0fYruOBO4DtwO3AijR9juIb8gD+ANhK8YrDVuDSuts9ZHuO+PsDVwNr0/1jga8AO4DvAqvrbnPGbftH4IG0n+4C1tTd5hG26UbgMeCX6fi6FHg38O40XxRfsPZo6nt9X3ldePPb9M0sqy6d/phZAzhUzCwrh4qZZeVQMbOsHCpmlpVDxcyycqiYWVb/D5MtR6Xki1ByAAAAAElFTkSuQmCC\n", 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" ] @@ -663,22 +696,22 @@ }, { "cell_type": "code", - "execution_count": 24, + "execution_count": 25, "metadata": {}, "outputs": [ { "data": { "text/plain": [ - "" + "" ] }, - "execution_count": 24, + "execution_count": 25, "metadata": {}, "output_type": "execute_result" }, { "data": { - "image/png": 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\n", 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" ] @@ -702,22 +735,22 @@ }, { "cell_type": "code", - "execution_count": 25, + "execution_count": 26, "metadata": {}, "outputs": [ { "data": { "text/plain": [ - "" + "" ] }, - "execution_count": 25, + "execution_count": 26, "metadata": {}, "output_type": "execute_result" }, { "data": { - "image/png": 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" ] @@ -750,7 +783,7 @@ }, { "cell_type": "code", - "execution_count": 26, + "execution_count": 27, "metadata": {}, "outputs": [], "source": [ @@ -768,7 +801,7 @@ }, { "cell_type": "code", - "execution_count": 27, + "execution_count": 28, "metadata": {}, "outputs": [], "source": [ @@ -786,16 +819,16 @@ }, { "cell_type": "code", - "execution_count": 28, + "execution_count": 29, "metadata": {}, "outputs": [ { "name": "stderr", "output_type": "stream", "text": [ - "/home/romano/openmc/openmc/mixin.py:71: IDWarning: Another Cell instance already exists with id=1.\n", + "/home/sam/openmc/openmc/openmc/mixin.py:71: IDWarning: Another Cell instance already exists with id=1.\n", " warn(msg, IDWarning)\n", - "/home/romano/openmc/openmc/mixin.py:71: IDWarning: Another Cell instance already exists with id=2.\n", + "/home/sam/openmc/openmc/openmc/mixin.py:71: IDWarning: Another Cell instance already exists with id=2.\n", " warn(msg, IDWarning)\n" ] } @@ -822,7 +855,7 @@ }, { "cell_type": "code", - "execution_count": 29, + "execution_count": 30, "metadata": {}, "outputs": [], "source": [ @@ -842,7 +875,7 @@ }, { "cell_type": "code", - "execution_count": 30, + "execution_count": 31, "metadata": {}, "outputs": [], "source": [ @@ -862,7 +895,7 @@ }, { "cell_type": "code", - "execution_count": 31, + "execution_count": 32, "metadata": {}, "outputs": [ { @@ -871,7 +904,7 @@ "openmc.region.Intersection" ] }, - "execution_count": 31, + "execution_count": 32, "metadata": {}, "output_type": "execute_result" } @@ -891,7 +924,7 @@ }, { "cell_type": "code", - "execution_count": 32, + "execution_count": 33, "metadata": {}, "outputs": [], "source": [ @@ -907,7 +940,7 @@ }, { "cell_type": "code", - "execution_count": 33, + "execution_count": 34, "metadata": {}, "outputs": [ { @@ -954,7 +987,7 @@ }, { "cell_type": "code", - "execution_count": 34, + "execution_count": 35, "metadata": {}, "outputs": [], "source": [ @@ -971,7 +1004,7 @@ }, { "cell_type": "code", - "execution_count": 35, + "execution_count": 36, "metadata": {}, "outputs": [], "source": [ @@ -984,7 +1017,7 @@ }, { "cell_type": "code", - "execution_count": 36, + "execution_count": 37, "metadata": {}, "outputs": [ { @@ -1026,7 +1059,7 @@ }, { "cell_type": "code", - "execution_count": 37, + "execution_count": 38, "metadata": {}, "outputs": [], "source": [ @@ -1045,7 +1078,7 @@ }, { "cell_type": "code", - "execution_count": 38, + "execution_count": 39, "metadata": {}, "outputs": [], "source": [ @@ -1062,7 +1095,7 @@ }, { "cell_type": "code", - "execution_count": 39, + "execution_count": 40, "metadata": {}, "outputs": [ { @@ -1100,7 +1133,7 @@ }, { "cell_type": "code", - "execution_count": 40, + "execution_count": 41, "metadata": { "scrolled": true }, @@ -1134,30 +1167,34 @@ " %%%%%%%%%%%\n", "\n", " | The OpenMC Monte Carlo Code\n", - " Copyright | 2011-2019 MIT and OpenMC contributors\n", + " Copyright | 2011-2020 MIT and OpenMC contributors\n", " License | http://openmc.readthedocs.io/en/latest/license.html\n", - " Version | 0.11.0-dev\n", - " Git SHA1 | 61c911cffdae2406f9f4bc667a9a6954748bb70c\n", - " Date/Time | 2019-07-19 06:20:10\n", - " OpenMP Threads | 4\n", + " Version | 0.12.0-dev\n", + " Git SHA1 | dd74b2f43f1d2060486de2823ee30058b8971dbd\n", + " Date/Time | 2020-03-03 13:58:53\n", + " MPI Processes | 1\n", + " OpenMP Threads | 8\n", "\n", " Reading settings XML file...\n", " Reading cross sections XML file...\n", " Reading materials XML file...\n", " Reading geometry XML file...\n", - " Reading U235 from /opt/data/hdf5/nndc_hdf5_v15/U235.h5\n", - " Reading U238 from /opt/data/hdf5/nndc_hdf5_v15/U238.h5\n", - " Reading O16 from /opt/data/hdf5/nndc_hdf5_v15/O16.h5\n", - " Reading Zr90 from /opt/data/hdf5/nndc_hdf5_v15/Zr90.h5\n", - " Reading Zr91 from /opt/data/hdf5/nndc_hdf5_v15/Zr91.h5\n", - " Reading Zr92 from /opt/data/hdf5/nndc_hdf5_v15/Zr92.h5\n", - " Reading Zr94 from /opt/data/hdf5/nndc_hdf5_v15/Zr94.h5\n", - " Reading Zr96 from /opt/data/hdf5/nndc_hdf5_v15/Zr96.h5\n", - " Reading H1 from /opt/data/hdf5/nndc_hdf5_v15/H1.h5\n", - " Reading O17 from /opt/data/hdf5/nndc_hdf5_v15/O17.h5\n", - " Reading c_H_in_H2O from /opt/data/hdf5/nndc_hdf5_v15/c_H_in_H2O.h5\n", + " Reading U235 from /home/sam/openmc/libs/nndc_hdf5/U235.h5\n", + " Reading U238 from /home/sam/openmc/libs/nndc_hdf5/U238.h5\n", + " Reading O16 from /home/sam/openmc/libs/nndc_hdf5/O16.h5\n", + " Reading Zr90 from /home/sam/openmc/libs/nndc_hdf5/Zr90.h5\n", + " Reading Zr91 from /home/sam/openmc/libs/nndc_hdf5/Zr91.h5\n", + " Reading Zr92 from /home/sam/openmc/libs/nndc_hdf5/Zr92.h5\n", + " Reading Zr94 from /home/sam/openmc/libs/nndc_hdf5/Zr94.h5\n", + " Reading Zr96 from /home/sam/openmc/libs/nndc_hdf5/Zr96.h5\n", + " Reading H1 from /home/sam/openmc/libs/nndc_hdf5/H1.h5\n", + " Reading O17 from /home/sam/openmc/libs/nndc_hdf5/O17.h5\n", + " Reading c_H_in_H2O from /home/sam/openmc/libs/nndc_hdf5/c_H_in_H2O.h5\n", " Maximum neutron transport energy: 20000000.000000 eV for U235\n", + " Minimum neutron data temperature: 294.000000 K\n", + " Maximum neutron data temperature: 294.000000 K\n", " Reading tallies XML file...\n", + " Preparing distributed cell instances...\n", " Writing summary.h5 file...\n", " Initializing source particles...\n", "\n", @@ -1269,20 +1306,20 @@ "\n", " =======================> TIMING STATISTICS <=======================\n", "\n", - " Total time for initialization = 7.5853e-01 seconds\n", - " Reading cross sections = 7.3383e-01 seconds\n", - " Total time in simulation = 6.5719e+00 seconds\n", - " Time in transport only = 5.9772e+00 seconds\n", - " Time in inactive batches = 4.8850e-01 seconds\n", - " Time in active batches = 6.0834e+00 seconds\n", - " Time synchronizing fission bank = 5.9939e-03 seconds\n", - " Sampling source sites = 5.1295e-03 seconds\n", - " SEND/RECV source sites = 7.3640e-04 seconds\n", - " Time accumulating tallies = 9.9301e-05 seconds\n", - " Total time for finalization = 1.1585e-04 seconds\n", - " Total time elapsed = 7.3346e+00 seconds\n", - " Calculation Rate (inactive) = 20471.0 particles/second\n", - " Calculation Rate (active) = 14794.4 particles/second\n", + " Total time for initialization = 9.7663e-01 seconds\n", + " Reading cross sections = 8.7037e-01 seconds\n", + " Total time in simulation = 1.8046e+00 seconds\n", + " Time in transport only = 1.7523e+00 seconds\n", + " Time in inactive batches = 2.0849e-01 seconds\n", + " Time in active batches = 1.5961e+00 seconds\n", + " Time synchronizing fission bank = 6.7422e-03 seconds\n", + " Sampling source sites = 4.9715e-03 seconds\n", + " SEND/RECV source sites = 1.1323e-03 seconds\n", + " Time accumulating tallies = 5.3810e-04 seconds\n", + " Total time for finalization = 5.1810e-04 seconds\n", + " Total time elapsed = 2.7828e+00 seconds\n", + " Calculation Rate (inactive) = 47962.8 particles/second\n", + " Calculation Rate (active) = 56386.7 particles/second\n", "\n", " ============================> RESULTS <============================\n", "\n", @@ -1308,7 +1345,7 @@ }, { "cell_type": "code", - "execution_count": 41, + "execution_count": 42, "metadata": {}, "outputs": [ { @@ -1341,7 +1378,7 @@ }, { "cell_type": "code", - "execution_count": 42, + "execution_count": 43, "metadata": {}, "outputs": [], "source": [ @@ -1362,7 +1399,7 @@ }, { "cell_type": "code", - "execution_count": 43, + "execution_count": 44, "metadata": {}, "outputs": [ { @@ -1397,7 +1434,7 @@ }, { "cell_type": "code", - "execution_count": 44, + "execution_count": 45, "metadata": {}, "outputs": [ { @@ -1429,18 +1466,20 @@ " %%%%%%%%%%%\n", "\n", " | The OpenMC Monte Carlo Code\n", - " Copyright | 2011-2019 MIT and OpenMC contributors\n", + " Copyright | 2011-2020 MIT and OpenMC contributors\n", " License | http://openmc.readthedocs.io/en/latest/license.html\n", - " Version | 0.11.0-dev\n", - " Git SHA1 | 61c911cffdae2406f9f4bc667a9a6954748bb70c\n", - " Date/Time | 2019-07-19 06:20:18\n", - " OpenMP Threads | 4\n", + " Version | 0.12.0-dev\n", + " Git SHA1 | dd74b2f43f1d2060486de2823ee30058b8971dbd\n", + " Date/Time | 2020-03-03 13:58:56\n", + " MPI Processes | 1\n", + " OpenMP Threads | 8\n", "\n", " Reading settings XML file...\n", " Reading cross sections XML file...\n", " Reading materials XML file...\n", " Reading geometry XML file...\n", " Reading tallies XML file...\n", + " Preparing distributed cell instances...\n", " Reading plot XML file...\n", "\n", " =======================> PLOTTING SUMMARY <========================\n", @@ -1449,11 +1488,11 @@ "Plot file: pinplot.ppm\n", "Universe depth: -1\n", "Plot Type: Slice\n", - "Origin: 0 0 0\n", + "Origin: 0.0 0.0 0.0\n", "Width: 1.26 1.26\n", "Coloring: Materials\n", "Basis: XY\n", - "Pixels: 200 200 \n", + "Pixels: 200 200\n", "\n", " Processing plot 1: pinplot.ppm...\n" ] @@ -1472,7 +1511,7 @@ }, { "cell_type": "code", - "execution_count": 45, + "execution_count": 46, "metadata": {}, "outputs": [], "source": [ @@ -1488,19 +1527,19 @@ }, { "cell_type": "code", - "execution_count": 46, + "execution_count": 47, "metadata": { "scrolled": false }, "outputs": [ { "data": { - "image/png": "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\n", + "image/png": "iVBORw0KGgoAAAANSUhEUgAAAMgAAADIAgMAAADQNkYNAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAADFBMVEUAAP9yEhL//////wAZPRNOAAAAAWJLR0QCZgt8ZAAAAAd0SU1FB+QDAw06OBFn074AAAI7SURBVGje7ZmxkcIwEEUhcAnuhxIIEIGvAwioxiU4QASU4GougA4gsM6SfNxh766sfx7N3Ix+zJv9X7KxtLtaZWVlZWWl1Fr12sQQpXLaRRMRTKFe2kbk+Na8POpNkbbmWlMqtkwxRsJllIotMxQ56F7neWX8LmrdGtNpPWc//Z4cLsbpfp6xN85XNRA904Sd2V/stXlJ16EFcL4O7Q/SnUPOrK/9xfzSvQ44K0dFhjLCmq0nRYYyvDPrq2rfka4RnVlfoyJ9GdGZ9XUdI89aWGYbpTITNUKYgvLlnXFhSsqXd7bjEcKXc8YhvYEjhdzY/Db9lUKebP4+/b6lkK7m8nNRhDAlE8WFoREuig/DpKej+DAbGmGiuDAUUsgItWR8ejZ/yaZ3+SmET+/zL4JIC8Ys2VpI7/JPkSKEbCnkyiNPCilDyI5A+AVzSzZFVAhRBCKssVvlBRB5W8iNwZCThDymiLyT5F5iSCsh3RSRN5/cfgwxoiikkpFmgqgwopZAPmTkcxnkKCO3BZDQs088/RhykpFHRjLyP5AE70uadz/Z/1iK/2TgYwF9klJ8K4GPeJrTBXDsSXMeS3O2RA69wNEaOMAD1wTgMgJceYCLVZobH3IVBS68wLUauLwDLQKgEYG0O4CmCtC6ARpEQBsKaXYBLTWgcQe0B4EmJNLqBBqqQNsWaA4jLWig0Q2005GmPTAaAAYQyJgDGKYgIxtgMISMn4AhFzJKAwZ2yFgQGT4iI86srKysrD/rC4LWcCSWwIp+AAAAJXRFWHRkYXRlOmNyZWF0ZQAyMDIwLTAzLTAzVDEzOjU4OjU2KzAwOjAw73cO+QAAACV0RVh0ZGF0ZTptb2RpZnkAMjAyMC0wMy0wM1QxMzo1ODo1NiswMDowMJ4qtkUAAAAASUVORK5CYII=\n", "text/plain": [ "" ] }, - "execution_count": 46, + "execution_count": 47, "metadata": {}, "output_type": "execute_result" } @@ -1519,17 +1558,17 @@ }, { "cell_type": "code", - "execution_count": 47, + "execution_count": 48, "metadata": {}, "outputs": [ { "data": { - "image/png": "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\n", + "image/png": "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\n", "text/plain": [ "" ] }, - "execution_count": 47, + "execution_count": 48, "metadata": {}, "output_type": "execute_result" } @@ -1556,7 +1595,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.7.0" + "version": "3.6.9" } }, "nbformat": 4, From 595bde5175226847bdcc953a90a8f5a6a678aa78 Mon Sep 17 00:00:00 2001 From: SamPUG Date: Wed, 4 Mar 2020 09:07:09 +0000 Subject: [PATCH 4/5] Made suggested changes to material section in user guide. Co-Authored-By: Simon Richards --- docs/source/usersguide/materials.rst | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/docs/source/usersguide/materials.rst b/docs/source/usersguide/materials.rst index 154a474c9..a188ffc17 100644 --- a/docs/source/usersguide/materials.rst +++ b/docs/source/usersguide/materials.rst @@ -158,10 +158,10 @@ material with 3% plutonium oxide by weight could be created using the following: mox = openmc.Material.mix_materials([uo2, puo2], [0.97, 0.03], 'wo') -It should be noted that if mixing fractions are specifed as atomic or weight -fractions, the sum of the given fractions should be one. If volume fractions -are provided and the sum fractions is less than one, the remaining fraction is -set as void material. +It should be noted that, if mixing fractions are specifed as atomic or weight +fractions, the supplied fractions should sum to one. If the fractions are specified +as volume fractions, and the sum of the fractions is less than one, then the remaining +fraction is set as void material. .. warning:: Materials with :math:`S(\alpha,\beta)` thermal scattering data cannot be used in :meth:`Material.mix_materials`. However, thermal From 5db1eadc568a48d7ee48d6b48f1c120a4f5c852c Mon Sep 17 00:00:00 2001 From: SamPUG Date: Wed, 4 Mar 2020 13:39:39 +0000 Subject: [PATCH 5/5] Apply formatting suggestions. Co-Authored-By: Paul Romano --- docs/source/usersguide/materials.rst | 4 ++-- examples/jupyter/pincell.ipynb | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/docs/source/usersguide/materials.rst b/docs/source/usersguide/materials.rst index a188ffc17..3e07303a5 100644 --- a/docs/source/usersguide/materials.rst +++ b/docs/source/usersguide/materials.rst @@ -149,8 +149,8 @@ In OpenMC it is possible to mix any number of materials to create a new material with the correct nuclide composition and density. The :meth:`Material.mix_materials` method takes a list of materials and a list of their mixing fractions. Mixing fractions can be provided as atomic -fractions, weight fractions or volume fractions. The fraction type -is specifed by adding 'ao', 'wo' or 'vo' respectively as the third argument. +fractions, weight fractions, or volume fractions. The fraction type +can be specified by passing 'ao', 'wo', or 'vo' as the third argument, respectively. For example, assuming the required materials have already been defined, a MOX material with 3% plutonium oxide by weight could be created using the following: diff --git a/examples/jupyter/pincell.ipynb b/examples/jupyter/pincell.ipynb index 46ae19d8e..88fe0ca35 100644 --- a/examples/jupyter/pincell.ipynb +++ b/examples/jupyter/pincell.ipynb @@ -465,7 +465,7 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "The 'wo' argument in the `mix_materials()` method specifies that the fractions are weight fractions. Materials can also be mixed by atomic and volume fractions with 'ao' and 'vo' respectively. For 'ao' and 'wo' the fractions must sum to one. For 'vo' if fractions do not sum to one, the remaining fraction is set as void." + "The 'wo' argument in the `mix_materials()` method specifies that the fractions are weight fractions. Materials can also be mixed by atomic and volume fractions with 'ao' and 'vo', respectively. For 'ao' and 'wo' the fractions must sum to one. For 'vo', if fractions do not sum to one, the remaining fraction is set as void." ] }, {