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| author | Thomas Stephen Lee | 2015-08-31 13:48:07 +0530 |
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| committer | Thomas Stephen Lee | 2015-08-31 13:48:07 +0530 |
| commit | 10f6fb8cd1d840a3042651dfaa6fd5af4924b94a (patch) | |
| tree | 79cc94a1d707d86739040168330e8e856324307f /sample_notebooks/SundeepKatta | |
| parent | 4a1f703f1c1808d390ebf80e80659fe161f69fab (diff) | |
| download | Python-Textbook-Companions-10f6fb8cd1d840a3042651dfaa6fd5af4924b94a.tar.gz Python-Textbook-Companions-10f6fb8cd1d840a3042651dfaa6fd5af4924b94a.tar.bz2 Python-Textbook-Companions-10f6fb8cd1d840a3042651dfaa6fd5af4924b94a.zip | |
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Diffstat (limited to 'sample_notebooks/SundeepKatta')
| -rw-r--r-- | sample_notebooks/SundeepKatta/Chapter2.ipynb | 441 |
1 files changed, 441 insertions, 0 deletions
diff --git a/sample_notebooks/SundeepKatta/Chapter2.ipynb b/sample_notebooks/SundeepKatta/Chapter2.ipynb new file mode 100644 index 00000000..601cae27 --- /dev/null +++ b/sample_notebooks/SundeepKatta/Chapter2.ipynb @@ -0,0 +1,441 @@ +{
+ "cells": [
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "#2: Crystal Structures"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "##Example number 2.1, Page number 2.23"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 3,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "lattice constant is 4.0 *10**-10 m\n"
+ ]
+ }
+ ],
+ "source": [
+ "#importing modules\n",
+ "import math\n",
+ "from __future__ import division\n",
+ "\n",
+ "#Variable declaration\n",
+ "M=60.2; #molecular weight\n",
+ "Na=6.023*10**26; #avagadro number(kg/mole)\n",
+ "n=4; \n",
+ "rho=6250; #density(kg/m**3)\n",
+ "\n",
+ "#Calculation\n",
+ "a=(n*M/(rho*Na))**(1/3); #lattice constant(m)\n",
+ "\n",
+ "#Result\n",
+ "print \"lattice constant is\",round(a*10**10),\"*10**-10 m\""
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "##Example number 2.2, Page number 2.23"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 7,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "density is 8.93 gm/cm**3\n",
+ "answer in the book varies due to rounding off errors\n"
+ ]
+ }
+ ],
+ "source": [
+ "#importing modules\n",
+ "import math\n",
+ "from __future__ import division\n",
+ "\n",
+ "#Variable declaration\n",
+ "M=63.5; #molecular weight\n",
+ "Na=6.023*10**26; #avagadro number(kg/mole)\n",
+ "n=4; \n",
+ "r=1.278*10**-8; #atomic radius(cm)\n",
+ "\n",
+ "#Calculation\n",
+ "a=2*math.sqrt(2)*r; #lattice constant(m)\n",
+ "rho=n*M/(a**3*Na); #density(kg/cm**3)\n",
+ "\n",
+ "#Result\n",
+ "print \"density is\",round(rho*10**3,2),\"gm/cm**3\"\n",
+ "print \"answer in the book varies due to rounding off errors\""
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "##Example number 2.3, Page number 2.24"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 10,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "ratio of densities is 0.92\n"
+ ]
+ }
+ ],
+ "source": [
+ "#importing modules\n",
+ "import math\n",
+ "from __future__ import division\n",
+ "\n",
+ "#Variable declaration\n",
+ "pf_BCC=math.pi*math.sqrt(3)/8; #packing factor for BCC\n",
+ "pf_FCC=math.pi/(3*math.sqrt(2)); #packing factor of FCC\n",
+ "\n",
+ "#Calculation\n",
+ "r=pf_BCC/pf_FCC; #ratio of densities\n",
+ "\n",
+ "#Result\n",
+ "print \"ratio of densities is\",round(r,2)"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "##Example number 2.4, Page number 2.24"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 14,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "lattice constant is 2.8687 angstrom\n"
+ ]
+ }
+ ],
+ "source": [
+ "#importing modules\n",
+ "import math\n",
+ "from __future__ import division\n",
+ "\n",
+ "#Variable declaration\n",
+ "M=55.85; #molecular weight\n",
+ "Na=6.02*10**26; #avagadro number(kg/mole)\n",
+ "n=2; \n",
+ "rho=7860; #density(kg/m**3)\n",
+ "\n",
+ "#Calculation\n",
+ "a=(n*M/(rho*Na))**(1/3); #lattice constant(m)\n",
+ "\n",
+ "#Result\n",
+ "print \"lattice constant is\",round(a*10**10,4),\"angstrom\""
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "##Example number 2.5, Page number 2.24"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 19,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "lattice constant is 5.6 angstrom\n"
+ ]
+ }
+ ],
+ "source": [
+ "#importing modules\n",
+ "import math\n",
+ "from __future__ import division\n",
+ "\n",
+ "#Variable declaration\n",
+ "M=58.5; #molecular weight\n",
+ "Na=6.02*10**26; #avagadro number(kg/mole)\n",
+ "n=4; \n",
+ "rho=2189; #density(kg/m**3)\n",
+ "\n",
+ "#Calculation\n",
+ "a=(n*M/(rho*Na))**(1/3); #lattice constant(m)\n",
+ "\n",
+ "#Result\n",
+ "print \"lattice constant is\",round(a*10**10,1),\"angstrom\""
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "##Example number 2.6, Page number 2.25"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 23,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "lattice constant is 3.517 angstrom\n"
+ ]
+ }
+ ],
+ "source": [
+ "#importing modules\n",
+ "import math\n",
+ "from __future__ import division\n",
+ "\n",
+ "#Variable declaration\n",
+ "M=6.94; #molecular weight\n",
+ "Na=6.02*10**26; #avagadro number(kg/mole)\n",
+ "n=2; \n",
+ "rho=530; #density(kg/m**3)\n",
+ "\n",
+ "#Calculation\n",
+ "a=(n*M/(rho*Na))**(1/3); #lattice constant(m)\n",
+ "\n",
+ "#Result\n",
+ "print \"lattice constant is\",round(a*10**10,3),\"angstrom\""
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "##Example number 2.7, Page number 2.25"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 29,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "percent volume change is 0.493 %\n",
+ "answer in the book varies due to rounding off errors\n"
+ ]
+ }
+ ],
+ "source": [
+ "#importing modules\n",
+ "import math\n",
+ "from __future__ import division\n",
+ "\n",
+ "#Variable declaration\n",
+ "r1=1.258*10**-10; #radius(m)\n",
+ "r2=1.292*10**-10; #radius(m)\n",
+ "\n",
+ "#Calculation\n",
+ "a_bcc=4*r1/math.sqrt(3);\n",
+ "v=a_bcc**3;\n",
+ "V1=v/2;\n",
+ "a_fcc=2*math.sqrt(2)*r2;\n",
+ "V2=a_fcc**3/4;\n",
+ "V=(V1-V2)*100/V1; #percent volume change is\",V,\"%\"\n",
+ "\n",
+ "#Result\n",
+ "print \"percent volume change is\",round(V,3),\"%\"\n",
+ "print \"answer in the book varies due to rounding off errors\""
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "##Example number 2.8, Page number 2.26"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 31,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "number of atoms/m**3 is 1.77 *10**29\n",
+ "density of diamond is 3534.47 kg/m**3\n",
+ "answer in the book is wrong\n"
+ ]
+ }
+ ],
+ "source": [
+ "#importing modules\n",
+ "import math\n",
+ "from __future__ import division\n",
+ "\n",
+ "#Variable declaration\n",
+ "a=0.356*10**-9; #cube edge(m)\n",
+ "w=12; #atomic weight\n",
+ "Na=6.02*10**26; #avagadro number(kg/mole)\n",
+ "\n",
+ "#Calculation\n",
+ "n=8/(a**3); #number of atoms/m**3\n",
+ "m=w/Na; #mass(kg)\n",
+ "rho=m*n; #density of diamond(kg/m**3)\n",
+ "\n",
+ "#Result\n",
+ "print \"number of atoms/m**3 is\",round(n/10**29,2),\"*10**29\"\n",
+ "print \"density of diamond is\",round(rho,2),\"kg/m**3\"\n",
+ "print \"answer in the book is wrong\""
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "##Example number 2.9, Page number 2.26"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 32,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "maximum radius of sphere is 0.414 r\n"
+ ]
+ }
+ ],
+ "source": [
+ "#importing modules\n",
+ "import math\n",
+ "from __future__ import division\n",
+ "from sympy import *\n",
+ "\n",
+ "#Variable declaration\n",
+ "r=Symbol('r')\n",
+ "\n",
+ "#Calculation\n",
+ "a=4*r/math.sqrt(2);\n",
+ "R=(4*r/(2*math.sqrt(2)))-r; #maximum radius of sphere\n",
+ "\n",
+ "#Result\n",
+ "print \"maximum radius of sphere is\",round(R/r,3),\"r\""
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "##Example number 2.10, Page number 2.26"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 35,
+ "metadata": {
+ "collapsed": false
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "radius of largest sphere is 0.155 r\n"
+ ]
+ }
+ ],
+ "source": [
+ "#importing modules\n",
+ "import math\n",
+ "from __future__ import division\n",
+ "from sympy import *\n",
+ "\n",
+ "#Variable declaration\n",
+ "r=Symbol('r')\n",
+ "\n",
+ "#Calculation\n",
+ "a=4*r/math.sqrt(3);\n",
+ "R=(a/2)-r; #radius of largest sphere\n",
+ "\n",
+ "#Result\n",
+ "print \"radius of largest sphere is\",round(R/r,3),\"r\""
+ ]
+ }
+ ],
+ "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
+}
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