{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "#2: Crystal Structures" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "##Example number 2.1, Page number 2.16" ] }, { "cell_type": "code", "execution_count": 2, "metadata": { "collapsed": false }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "free volume/unit cell is 0.007675 nm**3\n" ] } ], "source": [ "#importing modules\n", "import math\n", "from __future__ import division\n", "\n", "#Variable declaration\n", "r=0.1249; #atomic radius(nm)\n", "n=2; #number of atoms\n", "\n", "#Calculation\n", "a=4*r/math.sqrt(3); #edge length(m)\n", "V=a**3; #volume(nm**3)\n", "v=4*math.pi*r**3*n/3; #volume of atoms(nm**3)\n", "Fv=V-v; #free volume/unit cell(nm**3)\n", "\n", "#Result\n", "print \"free volume/unit cell is\",round(Fv,6),\"nm**3\"" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "##Example number 2.2, Page number 2.16" ] }, { "cell_type": "code", "execution_count": 7, "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", "n=2; #number of atoms\n", "M=6.94; #atomic weight(kg)\n", "rho=530; #density(kg/m**3)\n", "Na=6.02*10**26; #avagadro number\n", "\n", "#Calculation\n", "a3=n*M/(rho*Na);\n", "a=a3**(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 2.3, Page number 2.17" ] }, { "cell_type": "code", "execution_count": 12, "metadata": { "collapsed": false }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "lattice constant is 2.87 angstrom\n" ] } ], "source": [ "#importing modules\n", "import math\n", "from __future__ import division\n", "\n", "#Variable declaration\n", "n=2; #number of atoms\n", "M=55.85; #atomic weight(kg)\n", "rho=7860; #density(kg/m**3)\n", "Na=6.02*10**26; #avagadro number\n", "\n", "#Calculation\n", "a3=n*M/(rho*Na);\n", "a=a3**(1/3); #lattice constant(m)\n", "\n", "#Result\n", "print \"lattice constant is\",round(a*10**10,2),\"angstrom\"" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "##Example number 2.4, Page number 2.17" ] }, { "cell_type": "code", "execution_count": 16, "metadata": { "collapsed": false }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "#number of atoms per m**3 is 177.3 *10**27\n" ] } ], "source": [ "#importing modules\n", "import math\n", "from __future__ import division\n", "\n", "#Variable declaration\n", "a=0.356*10**-9; #lattice constant(m)\n", "n=8; #number of atoms\n", "\n", "#Calculation\n", "N=n/a**3; #number of atoms per m**3\n", "\n", "#Result\n", "print \"#number of atoms per m**3 is\",round(N/10**27,1),\"*10**27\"" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "##Example number 2.5, Page number 2.17" ] }, { "cell_type": "code", "execution_count": 18, "metadata": { "collapsed": false }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "number of atoms per sq. mm is 8.16 *10**12\n" ] } ], "source": [ "#importing modules\n", "import math\n", "from __future__ import division\n", "\n", "#Variable declaration\n", "a=3.5; #lattice constant(angstrom)\n", "\n", "#Calculation\n", "A=a**2;\n", "N=10**7*10**7/A; #number of atoms per sq. mm\n", "\n", "#Result\n", "print \"number of atoms per sq. mm is\",round(N/10**12,2),\"*10**12\"" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "##Example number 2.6, Page number 2.18" ] }, { "cell_type": "code", "execution_count": 21, "metadata": { "collapsed": false }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "density is 5434.5 kg/m**3\n" ] } ], "source": [ "#importing modules\n", "import math\n", "from __future__ import division\n", "\n", "#Variable declaration\n", "n=8; #number of atoms\n", "a=5.62*10**-10; #lattice constant(m)\n", "M=72.59; #atomic weight(kg)\n", "Na=6.02*10**26; #avagadro number\n", "\n", "#Calculation\n", "rho=n*M/(a**3*Na); #density(kg/m**3)\n", "\n", "#Result\n", "print \"density is\",round(rho,1),\"kg/m**3\"" ] } ], "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 }