From 4a1f703f1c1808d390ebf80e80659fe161f69fab Mon Sep 17 00:00:00 2001 From: Thomas Stephen Lee Date: Fri, 28 Aug 2015 16:53:23 +0530 Subject: add books --- .../Sadananda CharyArroju/Chapter1.ipynb | 412 +++++++++++++++++++++ 1 file changed, 412 insertions(+) create mode 100755 sample_notebooks/Sadananda CharyArroju/Chapter1.ipynb (limited to 'sample_notebooks/Sadananda CharyArroju/Chapter1.ipynb') diff --git a/sample_notebooks/Sadananda CharyArroju/Chapter1.ipynb b/sample_notebooks/Sadananda CharyArroju/Chapter1.ipynb new file mode 100755 index 00000000..55497994 --- /dev/null +++ b/sample_notebooks/Sadananda CharyArroju/Chapter1.ipynb @@ -0,0 +1,412 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "#1: Bonding in Solids" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "##Example number 1.1, Page number 10" + ] + }, + { + "cell_type": "code", + "execution_count": 15, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "bond energy is 3.84 eV\n" + ] + } + ], + "source": [ + "#importing modules\n", + "import math\n", + "from __future__ import division\n", + "\n", + "#Variable declaration\n", + "e=1.6*10**-19; #charge(coulomb)\n", + "epsilon0=8.85*10**-12; \n", + "r0=23.6*10**-10; #equilibrium distance(m)\n", + "I=5.14; #ionisation energy(eV)\n", + "EA=3.65; #electron affinity(eV)\n", + "N=8; #born constant\n", + "\n", + "#Calculation\n", + "x=1-(1/N);\n", + "V=(e**2)*x/(4*e*math.pi*epsilon0*r0); #potential(V)\n", + "E=I-EA; #net energy(eV)\n", + "BE=round(V*10,2)-E; #bond energy(eV)\n", + "\n", + "#Result\n", + "print \"bond energy is\",BE,\"eV\"" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "##Example number 1.2, Page number 10" + ] + }, + { + "cell_type": "code", + "execution_count": 10, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "compressibility is -25.1095 *10**14\n" + ] + } + ], + "source": [ + "#importing modules\n", + "import math\n", + "from __future__ import division\n", + "\n", + "#Variable declaration\n", + "e=1.6*10**-19; #charge(coulomb)\n", + "epsilon0=8.85*10**-12; \n", + "r0=0.41*10**-3; #equilibrium distance(m)\n", + "A=1.76; #madelung constant\n", + "n=0.5; #repulsive exponent value\n", + "\n", + "#Calculation\n", + "beta=72*math.pi*epsilon0*r0**4/(A*e**2*(n-1)); #compressibility\n", + "\n", + "#Result\n", + "print \"compressibility is\",round(beta/10**14,4),\"*10**14\"" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "##Example number 1.3, Page number 10" + ] + }, + { + "cell_type": "code", + "execution_count": 18, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "cohesive energy is -3.065 eV\n" + ] + } + ], + "source": [ + "#importing modules\n", + "import math\n", + "from __future__ import division\n", + "\n", + "#Variable declaration\n", + "e=1.6*10**-19; #charge(coulomb)\n", + "epsilon0=8.85*10**-12; \n", + "r0=0.314*10**-9; #equilibrium distance(m)\n", + "A=1.75; #madelung constant\n", + "N=5.77; #born constant\n", + "I=4.1; #ionisation energy(eV)\n", + "EA=3.6; #electron affinity(eV)\n", + "\n", + "#Calculation\n", + "V=-A*e**2*((N-1)/N)/(4*e*math.pi*epsilon0*r0);\n", + "PE=round(V,2)/2; #potential energy per ion(eV)\n", + "x=(I-EA)/2;\n", + "CE=PE+x; #cohesive energy(eV)\n", + "\n", + "#Result\n", + "print \"cohesive energy is\",CE,\"eV\"" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "##Example number 1.4, Page number 11" + ] + }, + { + "cell_type": "code", + "execution_count": 32, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "binding energy is 665.0 *10**3 kJ/kmol\n" + ] + } + ], + "source": [ + "#importing modules\n", + "import math\n", + "from __future__ import division\n", + "\n", + "#Variable declaration \n", + "N=6.02*10**26; #Avagadro Number\n", + "e=1.6*10**-19; #charge(coulomb)\n", + "epsilon0=8.85*10**-12; \n", + "r0=0.324*10**-9; #equilibrium distance(m)\n", + "A=1.75; #madelung constant\n", + "n=8.5; #repulsive exponent value\n", + "\n", + "#Calculations\n", + "U0=(A*e/(4*math.pi*epsilon0*r0))*(1-1/n); \n", + "U=round(U0,1)*N*e; #binding energy(J/kmol)\n", + "\n", + "#Result\n", + "print \"binding energy is\",round(U/10**6),\"*10**3 kJ/kmol\"" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "##Example number 1.5, Page number 11" + ] + }, + { + "cell_type": "code", + "execution_count": 36, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "density of CsClis 4.389 *10**3 kg/m**3\n" + ] + } + ], + "source": [ + "#importing modules\n", + "import math\n", + "from __future__ import division\n", + "\n", + "#Variable declaration\n", + "rCs=0.165*10**-9; #radius(m)\n", + "rCl=0.181*10**-9; #radius(m)\n", + "MCs=133; #atomic weight\n", + "MCl=35.5; #atomic weight\n", + "N=6.02*10**26; #Avagadro Number\n", + "\n", + "#Calculation\n", + "a=2*(rCl+rCs)/math.sqrt(3); #lattice constant(m)\n", + "M=(MCs+MCl)/N; #mass of 1 molecule(kg)\n", + "V=a**3; #volume of unit cell(m**3)\n", + "rho=M/V; #density of CsCl(kg/m**3)\n", + "\n", + "#Result\n", + "print \"density of CsClis\",round(rho/10**3,3),\"*10**3 kg/m**3\"" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "##Example number 1.6, Page number 12" + ] + }, + { + "cell_type": "code", + "execution_count": 37, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "effective charge is 0.72 *10**-19 coulomb\n", + "answer given in the book is wrong\n" + ] + } + ], + "source": [ + "#importing modules\n", + "import math\n", + "from __future__ import division\n", + "\n", + "#Variable declaration\n", + "dm=1.98*(10**-29)*(1/3); #dipole moment\n", + "l=0.92*10**-10; #bond length(m)\n", + "\n", + "#Calculation\n", + "ec=dm/l; #effective charge(coulomb)\n", + "\n", + "#Result\n", + "print \"effective charge is\",round(ec*10**19,2),\"*10**-19 coulomb\"\n", + "print \"answer given in the book is wrong\"" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "##Example number 1.7, Page number 12" + ] + }, + { + "cell_type": "code", + "execution_count": 42, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "energy required is -1.9 eV\n" + ] + } + ], + "source": [ + "#importing modules\n", + "import math\n", + "from __future__ import division\n", + "\n", + "#Variable declaration\n", + "e=1.6*10**-19; #charge(coulomb)\n", + "epsilon0=8.85*10**-12; \n", + "r=0.5*10**-9; #distance(m)\n", + "I=5; #ionisation energy(eV)\n", + "E=4; #electron affinity(eV)\n", + "\n", + "#Calculation\n", + "C=e**2/(4*math.pi*epsilon0*e*r); #coulomb energy(eV)\n", + "Er=I-E-C; #energy required(eV)\n", + "\n", + "#Result\n", + "print \"energy required is\",round(Er,1),\"eV\"" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "##Example number 1.9, Page number 13" + ] + }, + { + "cell_type": "code", + "execution_count": 43, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "-2*a/r**3 + 90*b/r**11\n" + ] + } + ], + "source": [ + "#importing modules\n", + "import math\n", + "from __future__ import division\n", + "from sympy import *\n", + "import numpy as np\n", + "\n", + "#Variable declaration\n", + "n=1;\n", + "m=9;\n", + "a=Symbol('a')\n", + "b=Symbol('b')\n", + "r=Symbol('r')\n", + "\n", + "#Calculation\n", + "y=(-a/(r**n))+(b/(r**m));\n", + "y=diff(y,r);\n", + "y=diff(y,r);\n", + "\n", + "#Result\n", + "print y" + ] + }, + { + "cell_type": "code", + "execution_count": 44, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "young's modulus is 157 GPa\n" + ] + } + ], + "source": [ + "#since the values of a,b,r are declared as symbols in the above cell, it cannot be solved there. hence it is being solved here with the given variable declaration\n", + "#importing modules\n", + "import math\n", + "from __future__ import division\n", + "\n", + "#Variable declaration\n", + "a=7.68*10**-29; \n", + "r0=2.5*10**-10; #radius(m)\n", + "\n", + "#Calculation\n", + "b=a*(r0**8)/9;\n", + "y=((-2*a*r0**8)+(90*b))/r0**11; \n", + "E=y/r0; #young's modulus(Pa)\n", + "\n", + "#Result\n", + "print \"young's modulus is\",int(E/10**9),\"GPa\"" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 2", + "language": "python", + "name": "python2" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 2 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython2", + "version": "2.7.9" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} -- cgit