microstructure-compare_rTiO2.ipynb

{
 "metadata": {
  "name": "microstructure-compare_rTiO2"
 }, 
 "nbformat": 2, 
 "worksheets": [
  {
   "cells": [
    {
     "cell_type": "code", 
     "collapsed": false, 
     "input": [
      "#MOOSE related stuff ran through script on HORNET:", 
      "# The below code will harvest the finite-element data using ParaView's excellent filtration options. Here we basically use the volume filter. ", 
      "# MOOSE can probably do it but we'll just use ParaView for now.", 
      "", 
      "import os", 
      "import subprocess", 
      "", 
      "os.chdir('/home/john/projects/ParaView-bin/bin/')", 
      "subprocess.call('pvpython /home/john/projects/calculations/core_shell/rTiO2/microstructure-rTiO2.py',shell=True)"
     ], 
     "language": "python", 
     "outputs": [
      {
       "output_type": "pyout", 
       "prompt_number": 29, 
       "text": [
        "0"
       ]
      }
     ], 
     "prompt_number": 29
    }, 
    {
     "cell_type": "code", 
     "collapsed": true, 
     "input": [
      "# Need 9 different(since 9 microstructures) text \"mashers\" and deleters. We don't want the leftover blank .csvs from lazy ParaView and we ", 
      "# want to concatenate all of the nonblank .csv", 
      "fout=open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_iso_shell_P0COMP.csv\",\"a\")", 
      "for num in range(0,1): #iso has 1 csv", 
      "    f = open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_iso_shell_P0-\"+str(num)+\".csv\")", 
      "    f.next() # skip the header", 
      "    for line in f:", 
      "        fout.write(line)", 
      "    f.close() #not really needed", 
      "fout.close()", 
      "", 
      "fout=open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_xstl000_shell_P0COMPb.csv\",\"a\")", 
      "for num in range(0,12): #xstl000 has 12 csv", 
      "    f = open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_xstl000_shell_P0-\"+str(num)+\".csv\")", 
      "    f.next() # skip the header", 
      "    for line in f:", 
      "        fout.write(line)", 
      "    f.close()", 
      "fout.close()", 
      "", 
      "fout=open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_xstl111_shell_P0COMP.csv\",\"a\")", 
      "for num in range(0,12): #xst111 has 12 csv", 
      "    f = open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_xstl111_shell_P0-\"+str(num)+\".csv\")", 
      "    f.next() # skip the header", 
      "    for line in f:", 
      "        fout.write(line)", 
      "    f.close()", 
      "fout.close()", 
      "", 
      "fout=open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_xstl_grain_shell_radial_P0COMP.csv\",\"a\")", 
      "for num in range(0,12): #xst_grain_rad has 12 csv", 
      "    f = open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_xstl_grain_shell_radial_P0-\"+str(num)+\".csv\")", 
      "    f.next() # skip the header", 
      "    for line in f:", 
      "        fout.write(line)", 
      "    f.close()", 
      "fout.close()", 
      "", 
      "fout=open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_xstl_grain_shell_random_P0COMP.csv\",\"a\")", 
      "for num in range(0,12): #xst_grain_rand has 12 csv", 
      "    f = open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_xstl_grain_shell_random_P0-\"+str(num)+\".csv\")", 
      "    f.next() # skip the header", 
      "    for line in f:", 
      "        fout.write(line)", 
      "    f.close()", 
      "fout.close()", 
      "", 
      "fout=open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_Fcore_xstl000_shell_P0COMP.csv\",\"a\")", 
      "for num in range(0,16): #xst000_fcore has 15 csv", 
      "    f = open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_Fcore_xstl000_shell_P0-\"+str(num)+\".csv\")", 
      "    f.next() # skip the header", 
      "    for line in f:", 
      "        fout.write(line)", 
      "    f.close()", 
      "fout.close()", 
      "", 
      "fout=open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_Fcore_xstl111_shell_P0COMP.csv\",\"a\")", 
      "for num in range(0,16): #xst111_fcore has 12 csv", 
      "    f = open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_Fcore_xstl111_shell_P0-\"+str(num)+\".csv\")", 
      "    f.next() # skip the header", 
      "    for line in f:", 
      "        fout.write(line)", 
      "    f.close()", 
      "fout.close()", 
      "", 
      "fout=open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_Fcore_xstl_grain_shell_radial_P0COMP.csv\",\"a\")", 
      "for num in range(0,16): #xst111_fcore has 12 csv", 
      "    f = open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_Fcore_xstl_grain_shell_radial_P0-\"+str(num)+\".csv\")", 
      "    f.next() # skip the header", 
      "    for line in f:", 
      "        fout.write(line)", 
      "    f.close()", 
      "fout.close()", 
      "", 
      "fout=open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_Fcore_xstl_grain_shell_random_P0COMP.csv\",\"a\")", 
      "for num in range(0,16): #xst111_fcore has 12 csv", 
      "    f = open(\"/home/john/projects/calculations/core_shell/rTiO2/fsetout_ZnO_rTiO2_xstl000_Fcore_xstl_grain_shell_random_P0-\"+str(num)+\".csv\")", 
      "    f.next() # skip the header", 
      "    for line in f:", 
      "        fout.write(line)", 
      "    f.close()", 
      "fout.close()"
     ], 
     "language": "python", 
     "outputs": [], 
     "prompt_number": 30
    }, 
    {
     "cell_type": "code", 
     "collapsed": true, 
     "input": [
      "#numpy genfromtxt crashes when loading large files, have to use an iterative loading scheme", 
      "", 
      "import numpy as np", 
      "", 
      "def iter_loadtxt(filename, delimiter=',', skiprows=1, dtype=float):", 
      "    def iter_func():", 
      "        with open(filename, 'r') as infile:", 
      "            for _ in range(skiprows):", 
      "                next(infile)", 
      "            for line in infile:", 
      "                line = line.rstrip().split(delimiter)", 
      "                for item in line:", 
      "                    yield dtype(item)", 
      "        iter_loadtxt.rowlength = len(line)", 
      "", 
      "    data = np.fromiter(iter_func(), dtype=dtype)", 
      "    data = data.reshape((-1, iter_loadtxt.rowlength))", 
      "    return data"
     ], 
     "language": "python", 
     "outputs": [], 
     "prompt_number": 1
    }, 
    {
     "cell_type": "code", 
     "collapsed": true, 
     "input": [
      "#This code will compare band gap splittings for varying microstructures of the ZnO-TiO2 core-shell system and plot them on the same graph.", 
      "", 
      "import numpy as np", 
      "import matplotlib.pyplot as plt", 
      "import pylab", 
      "from matplotlib import rc", 
      "", 
      "ZnOrTiO2_iso_data_EgVolume = iter_loadtxt('/home/john/projects/calculations/core_shell/final_plots/microstructures/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_iso_shell_P0COMP.csv',delimiter=',',skiprows=1,dtype=float)", 
      "ZnOrTiO2_xstl000_core_xstl000_data_EgVolume = iter_loadtxt('/home/john/projects/calculations/core_shell/final_plots/microstructures/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_xstl000_shell_P0COMPb.csv',delimiter=',',skiprows=1,dtype=float)", 
      "ZnOrTiO2_xstl000_core_xstl111_data_EgVolume = iter_loadtxt('/home/john/projects/calculations/core_shell/final_plots/microstructures/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_xstl111_shell_P0COMP.csv',delimiter=',',skiprows=1,dtype=float)", 
      "ZnOrTiO2_xstl000_core_xstl_g_radial_data_EgVolume = iter_loadtxt('/home/john/projects/calculations/core_shell/final_plots/microstructures/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_xstl_grain_shell_radial_P0COMP.csv',delimiter=',',skiprows=1,dtype=float)", 
      "ZnOrTiO2_xstl000_core_xstl_g_random_data_EgVolume = iter_loadtxt('/home/john/projects/calculations/core_shell/final_plots/microstructures/rTiO2/fsetout_ZnO_rTiO2_xstl000_core_xstl_grain_shell_random_P0COMP.csv',delimiter=',',skiprows=1,dtype=float)", 
      "ZnOrTiO2_xstl000_Fcore_xstl000_data_EgVolume = iter_loadtxt('/home/john/projects/calculations/core_shell/final_plots/microstructures/rTiO2/fsetout_ZnO_rTiO2_xstl000_Fcore_xstl000_shell_P0COMP.csv',delimiter=',',skiprows=1,dtype=float)", 
      "ZnOrTiO2_xstl000_Fcore_xstl111_data_EgVolume = iter_loadtxt('/home/john/projects/calculations/core_shell/final_plots/microstructures/rTiO2/fsetout_ZnO_rTiO2_xstl000_Fcore_xstl111_shell_P0COMP.csv',delimiter=',',skiprows=1,dtype=float)", 
      "ZnOrTiO2_xstl000_Fcore_xstl_g_radial_data_EgVolume = iter_loadtxt('/home/john/projects/calculations/core_shell/final_plots/microstructures/rTiO2/fsetout_ZnO_rTiO2_xstl000_Fcore_xstl_grain_shell_radial_P0COMP.csv',delimiter=',',skiprows=1,dtype=float)", 
      "ZnOrTiO2_xstl000_Fcore_xstl_g_random_data_EgVolume = iter_loadtxt('/home/john/projects/calculations/core_shell/final_plots/microstructures/rTiO2/fsetout_ZnO_rTiO2_xstl000_Fcore_xstl_grain_shell_random_P0COMP.csv',delimiter=',',skiprows=1,dtype=float)"
     ], 
     "language": "python", 
     "outputs": [], 
     "prompt_number": 2
    }, 
    {
     "cell_type": "code", 
     "collapsed": true, 
     "input": [
      "#------Load Variables from the csv------#", 
      "", 
      "vol0 = [row[13] for row in ZnOrTiO2_iso_data_EgVolume] ", 
      "vol1 = [row[13] for row in ZnOrTiO2_xstl000_core_xstl000_data_EgVolume] ", 
      "vol2 = [row[13] for row in ZnOrTiO2_xstl000_core_xstl111_data_EgVolume] ", 
      "vol3 = [row[13] for row in ZnOrTiO2_xstl000_core_xstl_g_radial_data_EgVolume]", 
      "vol4 = [row[13] for row in ZnOrTiO2_xstl000_core_xstl_g_random_data_EgVolume]", 
      "vol5 = [row[13] for row in ZnOrTiO2_xstl000_Fcore_xstl000_data_EgVolume] ", 
      "vol6 = [row[13] for row in ZnOrTiO2_xstl000_Fcore_xstl111_data_EgVolume] ", 
      "vol7 = [row[13] for row in ZnOrTiO2_xstl000_Fcore_xstl_g_radial_data_EgVolume]", 
      "vol8 = [row[13] for row in ZnOrTiO2_xstl000_Fcore_xstl_g_random_data_EgVolume]", 
      "", 
      "Eg0 = [row[8] for row in ZnOrTiO2_iso_data_EgVolume] ", 
      "Eg1 = [row[8] for row in ZnOrTiO2_xstl000_core_xstl000_data_EgVolume] ", 
      "Eg2 = [row[8] for row in ZnOrTiO2_xstl000_core_xstl111_data_EgVolume] ", 
      "Eg3 = [row[8] for row in ZnOrTiO2_xstl000_core_xstl_g_radial_data_EgVolume]", 
      "Eg4 = [row[9] for row in ZnOrTiO2_xstl000_core_xstl_g_random_data_EgVolume]", 
      "Eg5 = [row[8] for row in ZnOrTiO2_xstl000_Fcore_xstl000_data_EgVolume] ", 
      "Eg6 = [row[8] for row in ZnOrTiO2_xstl000_Fcore_xstl111_data_EgVolume] ", 
      "Eg7 = [row[8] for row in ZnOrTiO2_xstl000_Fcore_xstl_g_radial_data_EgVolume]", 
      "Eg8 = [row[8] for row in ZnOrTiO2_xstl000_Fcore_xstl_g_random_data_EgVolume]", 
      "", 
      "nbins = 120", 
      "#comment on nbins, if nbins > ideal, then we get \"dips\" in the spectrum", 
      "#                  if nbins < ideal, then we get \"peaks\" in the spectrum", 
      "#   ideal = ideal(Precision) in microstructures.py file", 
      "", 
      "Hbg0, xedgesbg0, yedgesbg0 = np.histogram2d(Eg0[1:len(Eg0)],vol0[1:len(vol0)],bins=nbins-10) #ideal=nbins-10", 
      "Hbg1, xedgesbg1, yedgesbg1 = np.histogram2d(Eg1[1:len(Eg1)],vol1[1:len(vol1)],bins=nbins)", 
      "Hbg2, xedgesbg2, yedgesbg2 = np.histogram2d(Eg2[1:len(Eg2)],vol2[1:len(vol2)],bins=nbins+43) #ideal=nbins+43", 
      "Hbg3, xedgesbg3, yedgesbg3 = np.histogram2d(Eg3[1:len(Eg3)],vol3[1:len(vol3)],bins=nbins)", 
      "Hbg4, xedgesbg4, yedgesbg4 = np.histogram2d(Eg4[1:len(Eg4)],vol4[1:len(vol4)],bins=nbins)", 
      "Hbg5, xedgesbg5, yedgesbg5 = np.histogram2d(Eg5[1:len(Eg5)],vol5[1:len(vol5)],bins=nbins)", 
      "Hbg6, xedgesbg6, yedgesbg6 = np.histogram2d(Eg6[1:len(Eg6)],vol6[1:len(vol6)],bins=nbins)", 
      "Hbg7, xedgesbg7, yedgesbg7 = np.histogram2d(Eg7[1:len(Eg7)],vol7[1:len(vol7)],bins=nbins)", 
      "Hbg8, xedgesbg8, yedgesbg8 = np.histogram2d(Eg8[1:len(Eg8)],vol8[1:len(vol8)],bins=nbins)", 
      "", 
      "Hbg0 = np.rot90(Hbg0)", 
      "Hbg0 = np.flipud(Hbg0)", 
      "Hbg1 = np.rot90(Hbg1)", 
      "Hbg1 = np.flipud(Hbg1)", 
      "Hbg2 = np.rot90(Hbg2)", 
      "Hbg2 = np.flipud(Hbg2)", 
      "Hbg3 = np.rot90(Hbg3)", 
      "Hbg3 = np.flipud(Hbg3)", 
      "Hbg4 = np.rot90(Hbg4)", 
      "Hbg4 = np.flipud(Hbg4)", 
      "Hbg5 = np.rot90(Hbg5)", 
      "Hbg5 = np.flipud(Hbg5)", 
      "Hbg6 = np.rot90(Hbg6)", 
      "Hbg6 = np.flipud(Hbg6)", 
      "Hbg7 = np.rot90(Hbg7)", 
      "Hbg7 = np.flipud(Hbg7)", 
      "Hbg8 = np.rot90(Hbg8)", 
      "Hbg8 = np.flipud(Hbg8)", 
      "", 
      "yedgesbg_up0 = yedgesbg0[0:len(yedgesbg0)-1]+(yedgesbg0[1:len(yedgesbg0)]-yedgesbg0[0:len(yedgesbg0)-1])/2", 
      "yedgesbg_up1 = yedgesbg1[0:len(yedgesbg1)-1]+(yedgesbg1[1:len(yedgesbg1)]-yedgesbg1[0:len(yedgesbg1)-1])/2", 
      "yedgesbg_up2 = yedgesbg2[0:len(yedgesbg2)-1]+(yedgesbg2[1:len(yedgesbg2)]-yedgesbg2[0:len(yedgesbg2)-1])/2", 
      "yedgesbg_up3 = yedgesbg3[0:len(yedgesbg3)-1]+(yedgesbg3[1:len(yedgesbg3)]-yedgesbg3[0:len(yedgesbg3)-1])/2", 
      "yedgesbg_up4 = yedgesbg4[0:len(yedgesbg4)-1]+(yedgesbg4[1:len(yedgesbg4)]-yedgesbg4[0:len(yedgesbg4)-1])/2", 
      "yedgesbg_up5 = yedgesbg5[0:len(yedgesbg5)-1]+(yedgesbg5[1:len(yedgesbg5)]-yedgesbg5[0:len(yedgesbg5)-1])/2", 
      "yedgesbg_up6 = yedgesbg6[0:len(yedgesbg6)-1]+(yedgesbg6[1:len(yedgesbg6)]-yedgesbg6[0:len(yedgesbg6)-1])/2", 
      "yedgesbg_up7 = yedgesbg7[0:len(yedgesbg7)-1]+(yedgesbg7[1:len(yedgesbg7)]-yedgesbg7[0:len(yedgesbg7)-1])/2", 
      "yedgesbg_up8 = yedgesbg8[0:len(yedgesbg8)-1]+(yedgesbg8[1:len(yedgesbg8)]-yedgesbg8[0:len(yedgesbg8)-1])/2", 
      "", 
      "vbg0j = np.einsum('ij,i',Hbg0,yedgesbg_up0)", 
      "vbg1j = np.einsum('ij,i',Hbg1,yedgesbg_up1)", 
      "vbg2j = np.einsum('ij,i',Hbg2,yedgesbg_up2)", 
      "vbg3j = np.einsum('ij,i',Hbg3,yedgesbg_up3)", 
      "vbg4j = np.einsum('ij,i',Hbg4,yedgesbg_up4)", 
      "vbg5j = np.einsum('ij,i',Hbg5,yedgesbg_up5)", 
      "vbg6j = np.einsum('ij,i',Hbg6,yedgesbg_up6)", 
      "vbg7j = np.einsum('ij,i',Hbg7,yedgesbg_up7)", 
      "vbg8j = np.einsum('ij,i',Hbg8,yedgesbg_up8)", 
      "", 
      "Vbg0j = vbg0j/sum(vbg0j)*100", 
      "Vbg1j = vbg1j/sum(vbg1j)*100", 
      "Vbg2j = vbg2j/sum(vbg2j)*100", 
      "Vbg3j = vbg3j/sum(vbg3j)*100", 
      "Vbg4j = vbg4j/sum(vbg4j)*100", 
      "Vbg5j = vbg5j/sum(vbg5j)*100", 
      "Vbg6j = vbg6j/sum(vbg6j)*100", 
      "Vbg7j = vbg7j/sum(vbg7j)*100", 
      "Vbg8j = vbg8j/sum(vbg8j)*100", 
      "", 
      "x_bg0 = xedgesbg0[0:len(xedgesbg0)-1]+(xedgesbg0[1:len(xedgesbg0)]-xedgesbg0[0:len(xedgesbg0)-1])/2", 
      "x_bg1 = xedgesbg1[0:len(xedgesbg1)-1]+(xedgesbg1[1:len(xedgesbg1)]-xedgesbg1[0:len(xedgesbg1)-1])/2", 
      "x_bg2 = xedgesbg2[0:len(xedgesbg2)-1]+(xedgesbg2[1:len(xedgesbg2)]-xedgesbg2[0:len(xedgesbg2)-1])/2", 
      "x_bg3 = xedgesbg3[0:len(xedgesbg3)-1]+(xedgesbg3[1:len(xedgesbg3)]-xedgesbg3[0:len(xedgesbg3)-1])/2", 
      "x_bg4 = xedgesbg4[0:len(xedgesbg4)-1]+(xedgesbg4[1:len(xedgesbg4)]-xedgesbg4[0:len(xedgesbg4)-1])/2", 
      "x_bg5 = xedgesbg5[0:len(xedgesbg5)-1]+(xedgesbg5[1:len(xedgesbg5)]-xedgesbg5[0:len(xedgesbg5)-1])/2", 
      "x_bg6 = xedgesbg6[0:len(xedgesbg6)-1]+(xedgesbg6[1:len(xedgesbg6)]-xedgesbg6[0:len(xedgesbg6)-1])/2", 
      "x_bg7 = xedgesbg7[0:len(xedgesbg7)-1]+(xedgesbg7[1:len(xedgesbg7)]-xedgesbg7[0:len(xedgesbg7)-1])/2", 
      "x_bg8 = xedgesbg8[0:len(xedgesbg8)-1]+(xedgesbg8[1:len(xedgesbg8)]-xedgesbg8[0:len(xedgesbg8)-1])/2"
     ], 
     "language": "python", 
     "outputs": [], 
     "prompt_number": 3
    }, 
    {
     "cell_type": "code", 
     "collapsed": true, 
     "input": [
      "plt.plot(x_bg0,Vbg0j,'g',linewidth=1.8, label = 'iso')", 
      "#plt.plot(x_bg1,Vbg1j,'r',linewidth=1.8, label = '[000]')", 
      "#plt.plot(x_bg2,Vbg2j,'b',linewidth=1.8, label = '[111]') ", 
      "plt.plot(x_bg3,Vbg3j,'r--',linewidth=1.8, label = 'Radial')", 
      "plt.plot(x_bg4,Vbg4j,'b--',linewidth=1.8, label = 'Random') ", 
      "xmin = 3.0188", 
      "xmax = 3.0205", 
      "plt.xlim([xmin,xmax])", 
      "tick_vals = np.linspace(xmin,xmax,5)", 
      "tick_labels = [tick_vals[i] for i in range(len(tick_vals))]", 
      "plt.xticks(tick_vals, tick_labels)", 
      "plt.legend(labelspacing = 0.6,loc=1)", 
      "plt.xlabel('$E_g$ [$\\mathrm{eV}$]',fontsize=16)", 
      "plt.ylabel('Shell volume fraction [$\\%$]',fontsize=16)", 
      "#plt.title('25 nm total diameter $\\mathrm{ZnO}-\\mathrm{rTiO}_2$ core-shell particle, $p = 0$')", 
      "plt.savefig(\"/home/john/projects/calculations/core_shell/rTiO2/new_parabg_ZnO_TiO2.png\") #usually use .pdf", 
      "plt.show()"
     ], 
     "language": "python", 
     "outputs": [], 
     "prompt_number": 5
    }, 
    {
     "cell_type": "code", 
     "collapsed": true, 
     "input": [
      "plt.plot(x_bg5,Vbg5j,'r',linewidth=1.9, label = '[000]')", 
      "plt.plot(x_bg6,Vbg6j,'b',linewidth=1.9, label = '[111]')", 
      "plt.plot(x_bg7,Vbg7j,'g--',linewidth=1.9, label = 'Radial')", 
      "plt.plot(x_bg8,Vbg8j,'p--',linewidth=1.9, label = 'Random')", 
      "xmin = 3.0191", 
      "xmax = 3.0203", 
      "plt.xlim([xmin,xmax])", 
      "tick_vals = np.linspace(xmin,xmax,5)", 
      "tick_labels = [tick_vals[i] for i in range(len(tick_vals))]", 
      "plt.xticks(tick_vals, tick_labels)", 
      "plt.legend(labelspacing = 0.6,loc=1)", 
      "plt.xlabel('$E_g$ [$\\mathrm{eV}$]', fontsize = 16)", 
      "plt.ylabel('Shell volume fraction [$\\%$]', fontsize = 16)", 
      "#plt.title('25 nm total diameter Faceted $\\mathrm{ZnO}-\\mathrm{rTiO}_2$ core-shell particle, $p = 0$')", 
      "plt.savefig(\"/home/john/projects/calculations/core_shell/rTiO2/bg_ZnO_TiO2_facet.pdf\")", 
      "plt.show()"
     ], 
     "language": "python", 
     "outputs": [], 
     "prompt_number": 58
    }, 
    {
     "cell_type": "code", 
     "collapsed": true, 
     "input": [], 
     "language": "python", 
     "outputs": []
    }
   ]
  }
 ]
}