thesis.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {},
   "outputs": [],
   "source": [
    "import pandas as pd\n",
    "import numpy as np\n",
    "import matplotlib.pyplot as plt\n",
    "import matplotlib\n",
    "#from matplotlib import rc\n",
    "import requests as rq\n",
    "from __future__ import unicode_literals\n",
    "plt.rcParams['savefig.dpi'] = 600\n",
    "plt.rcParams['figure.dpi'] = 600\n",
    "#plt.rcParams['font.sans-serif']=['SimSun']\n",
    "plt.rcParams['font.family']=['KaiTi']\n",
    "#plt.rcParams['font.size']=5\n",
    "plt.rcParams['font.style']='normal'\n",
    "plt.rcParams['axes.unicode_minus']=False\n",
    "matplotlib.rcParams['xtick.direction'] = 'in'\n",
    "matplotlib.rcParams['ytick.direction'] = 'in' \n",
    "matplotlib.rcParams['text.usetex'] = True\n",
    "#matplotlib.rcParams['text.latex.unicode'] = True\n",
    "matplotlib.rcParams['text.latex.preamble'] = [\n",
    "    '\\\\usepackage{CJK}',\n",
    "    r'\\AtBeginDocument{\\begin{CJK}{UTF8}{gkai}}',\n",
    "    r'\\AtEndDocument{\\end{CJK}}',\n",
    "]\n",
    "\n",
    "import matplotlib.ticker as mtick\n",
    "%matplotlib inline\n",
    "%config InlineBackend.figure_format = 'svg'"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "web = rq.get(\"https://www.efunda.com/materials/elements/TC_Table.cfm?Element_ID=Si\")\n",
    "dfs = pd.read_html(web.text)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [],
   "source": [
    "si_tc = dfs[3]\n",
    "si_tc.drop(index=0,inplace=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {},
   "outputs": [],
   "source": [
    "si_tc.drop(index=1,inplace=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {},
   "outputs": [],
   "source": [
    "si_tc.rename(columns={0:'Temperature(K)',1:'Pressure(Pa)',2:'Thermal Conductivity'},inplace=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
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     "data": {
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Temperature(K)</th>\n",
       "      <th>Pressure(Pa)</th>\n",
       "      <th>Thermal Conductivity</th>\n",
       "    </tr>\n",
       "  </thead>\n",
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       "      <td>6.93</td>\n",
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      "text/plain": [
       "  Temperature(K) Pressure(Pa) Thermal Conductivity\n",
       "2              1       101325                 6.93\n",
       "3              2       101325                 45.4\n",
       "4              3       101325                  138\n",
       "5              4       101325                  297\n",
       "6              5       101325                  527"
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     "execution_count": 20,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "si_tc.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "metadata": {},
   "outputs": [],
   "source": [
    "si_tc.set_index('Temperature(K)',inplace=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 93,
   "metadata": {
    "scrolled": false
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   "source": [
    "tc = pd.to_numeric(si_tc['Thermal Conductivity'])\n",
    "y = tc.to_list()\n",
    "x = tc.index.astype(float).to_list()\n",
    "plt.loglog(x,y,'m-',linewidth=1)\n",
    "plt.loglog(x,y,'m+')\n",
    "plt.xlabel('温度(K)')\n",
    "plt.ylabel('热导率(W/mK)')\n",
    "#plt.xscale('log')\n",
    "#plt.yscale('log')\n",
    "plt.show()"
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  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "cut_ene = pd.DataFrame([i-43.22 for i in [-0.000338,-0.101050,-0.155293,-0.171120,-0.178534,-0.179486,-0.179376]],np.array(np.arange(200,501,50)))"
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  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [],
   "source": [
    "cut_ene.rename(columns={0:'总能量'},inplace=True)"
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  {
   "cell_type": "code",
   "execution_count": 38,
   "metadata": {},
   "outputs": [
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       "           总能量\n",
       "200 -43.220338\n",
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   "execution_count": 21,
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      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
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     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "cut_ene.plot(color='k',legend='')\n",
    "plt.xlabel('截断能量/eV',size=15)\n",
    "plt.ylabel('能量/eV',size=15)\n",
    "plt.yticks(fontproperties = 'Times New Roman', size = 14)\n",
    "plt.xticks(fontproperties = 'Times New Roman', size = 14)\n",
    "ax = plt.gca()\n",
    "#ax.yaxis.get_major_formatter().set_powerlimits((0,1))\n",
    "fmt='%.3f'\n",
    "yticks = mtick.FormatStrFormatter(fmt)\n",
    "ax.yaxis.set_major_formatter(yticks)\n",
    "\n",
    "#plt.savefig('/home/thoughts/git/thesis/fini-thesis/fig/cut-ene.png',bbox_inches='tight')\n",
    "plt.savefig('C:/Users/thoughts/Documents/GitHub/thesis/defense/cut-ene.png',bbox_inches='tight')\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [],
   "source": [
    "k_ene = pd.DataFrame([-43.379475,-43.398626,-43.399453,-43.399491,-43.399493],np.array(np.arange(4,13,2)))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [],
   "source": [
    "k_ene.rename(columns={0:'能量'},inplace=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {},
   "outputs": [
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      "text/plain": [
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     "metadata": {
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     "output_type": "display_data"
    }
   ],
   "source": [
    "k_ene.plot(color='k',legend='')\n",
    "plt.xlabel('每方向波矢网格节点数',size=15)\n",
    "plt.ylabel('能量/eV',size=15)\n",
    "plt.yticks(fontproperties = 'Times New Roman', size = 14)\n",
    "plt.xticks(fontproperties = 'Times New Roman', size = 14)\n",
    "#plt.legend('total energy',loc='best')\n",
    "ax = plt.gca()\n",
    "#ax.yaxis.get_major_formatter().set_powerlimits((0,1))\n",
    "fmt='%.3f'\n",
    "yticks = mtick.FormatStrFormatter(fmt)\n",
    "ax.yaxis.set_major_formatter(yticks)\n",
    "\n",
    "#plt.savefig('/home/thoughts/git/thesis/fini-thesis/fig/k-ene.png',bbox_inches='tight')\n",
    "plt.savefig('C:/Users/thoughts/Documents/GitHub/thesis/defense/k-ene.png',bbox_inches='tight')\n",
    "plt.show()"
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  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "5.30   -42.968477\n",
    "5.34   -43.154564\n",
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    "5.42   -43.365873\n",
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    "5.78   -42.304215\n",
    "5.82   -42.038127\n",
    "5.86   -41.750968\n",
    "5.90   -41.444806"
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  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([0.00671695, 0.00656714, 0.00642175, 0.00628061, 0.00614359,\n",
       "       0.00601052, 0.00588126, 0.00575569, 0.00563367, 0.00551507,\n",
       "       0.00539977, 0.00528767, 0.00517865, 0.00507261, 0.00496944,\n",
       "       0.00486905])"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
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   "source": [
    "np.arange(5.30,5.91,0.04)**(-3)"
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  {
   "cell_type": "code",
   "execution_count": 23,
   "metadata": {
    "scrolled": true
   },
   "outputs": [],
   "source": [
    "a_ene = pd.DataFrame([-42.968477,-43.154564,-43.285813,-43.365873,-43.398229,-43.386254,-43.332929,-43.241342,-43.114322,-42.954578,-42.764700,-42.547132,-42.304215,-42.038127,-41.750968,-41.444806],np.arange(5.30,5.91,0.04)**(-3)*1000)"
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  {
   "cell_type": "code",
   "execution_count": 24,
   "metadata": {},
   "outputs": [],
   "source": [
    "a_ene.rename(columns={0:'能量'},inplace=True)"
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  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "metadata": {},
   "outputs": [],
   "source": [
    "ene = a_ene['能量']"
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  {
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   "execution_count": 26,
   "metadata": {},
   "outputs": [
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  {
   "cell_type": "code",
   "execution_count": 28,
   "metadata": {},
   "outputs": [
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   "source": [
    "a_ene.plot(color='k',legend='')\n",
    "plt.xlabel(r'晶格常数$^{-3}$/$\\times 10^{-3}\\mathrm \\AA^{-3}$',size=17)\n",
    "plt.ylabel('能量/eV',size=17)\n",
    "plt.yticks(fontproperties = 'Times New Roman', size = 14)\n",
    "plt.xticks(fontproperties = 'Times New Roman', size = 14)\n",
    "plt.scatter(np.arange(5.30,5.90,0.04)**(-3)*1000,ene,color='k')\n",
    "plt.annotate(\"最小值\",size=15,xy=(5.473**(-3)*1000,-43.39),xytext=(5.473**(-3)*1000+0.01,-43.2),arrowprops=dict(arrowstyle='->',connectionstyle='arc3'))\n",
    "#plt.legend('total energy',loc='best')\n",
    "ax = plt.gca()\n",
    "#ax.yaxis.get_major_formatter().set_powerlimits((0,1))\n",
    "fmt='%.2f'\n",
    "yticks = mtick.FormatStrFormatter(fmt)\n",
    "xticks = mtick.FormatStrFormatter(fmt)\n",
    "ax.yaxis.set_major_formatter(yticks)\n",
    "\n",
    "#plt.savefig('/home/thoughts/git/thesis/fini-thesis/fig/a-ene.png',bbox_inches='tight')\n",
    "plt.savefig('C:/Users/thoughts/Documents/GitHub/thesis/defense/a-ene.png',bbox_inches='tight')\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {},
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    "plt.bar(np.arange(2015,2020,1),[18.0,19.5,20.8,22.1,23.4],fc='c',width=0.5)\n",
    "plt.xlabel('年份')\n",
    "plt.ylabel('百分比/\\%')\n",
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    "    plt.text(a, b+0.05, b, ha='center', va= 'bottom',fontsize=14) \n",
    "plt.savefig('/home/thoughts/git/thesis/fini-thesis/fig/clean-ene-prc.png',bbox_inches='tight')\n",
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