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Diffstat (limited to 'Material_Science_In_Engineering/ch4.ipynb')
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diff --git a/Material_Science_In_Engineering/ch4.ipynb b/Material_Science_In_Engineering/ch4.ipynb new file mode 100755 index 00000000..ebcb7af1 --- /dev/null +++ b/Material_Science_In_Engineering/ch4.ipynb @@ -0,0 +1,195 @@ +{ + "metadata": { + "name": "" + }, + "nbformat": 3, + "nbformat_minor": 0, + "worksheets": [ + { + "cells": [ + { + "cell_type": "heading", + "level": 1, + "metadata": {}, + "source": [ + "Chapter 4 : Crystallography" + ] + }, + { + "cell_type": "heading", + "level": 3, + "metadata": {}, + "source": [ + "Example 4.3 page no : 82" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "r_na = 0.98;\t\t\t#ionic radius of sodium in angstorm\n", + "r_cl = 1.81;\t\t\t#ionic radius of chlorine in angstorm\n", + "n = 4.; \t\t\t#in fcc there are 4 Na and 4 Cl ions\n", + "\n", + "# Calculations\n", + "a = ((2*r_na)+(2*r_cl));\t\t\t#latice constant\n", + "apf = ((n*(4./3)*3.14*r_na**3)+(n*(4./3)*3.14*r_cl**3))/a**3;\n", + "\n", + "# Results\n", + "print \"Lattice consmath.tant = \",a\n", + "print \"atomic packing fraction of NaCl having FCC structure = %.2f\"%apf\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "Lattice consmath.tant = 5.58\n", + "atomic packing fraction of NaCl having FCC structure = 0.66\n" + ] + } + ], + "prompt_number": 1 + }, + { + "cell_type": "heading", + "level": 3, + "metadata": {}, + "source": [ + "Example 4.4 pageno : 83" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "import math \n", + "\n", + "# Variables\n", + "r = 1.278;\t\t\t#radius of copper in angstorm\n", + "\n", + "#copper has FCC structure\n", + "a = round(4*r/math.sqrt(2),2);\t\t\t#in angstorm\n", + "a1 = a*10**-8;\t\t\t #in cm\n", + "aw = 63.54; \t\t\t#atomic weight of copper\n", + "ne = 4.;\t\t\t #fcc\n", + "na = 6.023*10**23;\t\t\t #Avagadro's no.\n", + "p = aw*ne/(na*a1**3);\t\t\t#in g/cm**3\n", + "\n", + "# Results\n", + "print \"a (in Angstorm) = %.2f A\"%a\n", + "print \"Density of Copper (in gm/cm**3) : %.2f\"%p\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "a (in Angstorm) = 3.61 A\n", + "Density of Copper (in gm/cm**3) : 8.97\n" + ] + } + ], + "prompt_number": 7 + }, + { + "cell_type": "heading", + "level": 3, + "metadata": {}, + "source": [ + "Example 4.5 pageno : 84" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "w_na = 23.; \t\t\t#atomic weight of Na\n", + "w_cl = 35.5;\t\t\t#atomic weight of Cl\n", + "w = w_na+w_cl;\t\t\t#effective no.of atoms in FCC structure\n", + "n = 4.; \t\t\t#FCC\n", + "\n", + "# Calculations\n", + "na = 6.023*10**23;\t\t\t#Avagadrro's no.\n", + "w_4 = w*n/na;\t\t\t#weight of 4 molecules in gm\n", + "p = 2.18;\t\t\t#density in gm/cm**3\n", + "a3 = (w*n)/(na*p)\n", + "a = a3**(1./3)\n", + "#a = (w_4/p)**(1/3);\t\t\t#in cm\n", + "a1 = a*10**8;\t\t\t#in angstorm\n", + "d = a1/2;\n", + "\n", + "# Results\n", + "print \"unit cell dimension (in angstorm) = %.2f A\"%a1\n", + "print \"Distance between two adjacent atoms (in Angstorm) = %.2f A\"%d\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "unit cell dimension (in angstorm) = 5.63 A\n", + "Distance between two adjacent atoms (in Angstorm) = 2.81 A\n" + ] + } + ], + "prompt_number": 13 + }, + { + "cell_type": "heading", + "level": 3, + "metadata": {}, + "source": [ + "Example 4.6 pageno : 84" + ] + }, + { + "cell_type": "code", + "collapsed": false, + "input": [ + "\n", + "# Variables\n", + "n = 2.; \t\t\t#BCC \n", + "p = 7.86;\t \t\t #density in gm/cm**3\n", + "aw = 55.85;\t\t \t#atomic weight of iron\n", + "\n", + "# Calculations\n", + "na = 6.023*10**23;\t\t \t#Avagadrro's no.\n", + "a = ((aw*n)/(na*p))**(1./3);\t\t\t#in cm\n", + "a1 = a*10**8;\t \t\t#in angstorm\n", + "r = math.sqrt(3)*a1/4;\n", + "\n", + "# Results\n", + "print \"unit cell dimension of iron (in angstorm) = %.2f A\"%a1\n", + "print \"atomic radius = %.3f A\"%r\n" + ], + "language": "python", + "metadata": {}, + "outputs": [ + { + "output_type": "stream", + "stream": "stdout", + "text": [ + "unit cell dimension of iron (in angstorm) = 2.87 A\n", + "atomic radius = 1.242 A\n" + ] + } + ], + "prompt_number": 15 + } + ], + "metadata": {} + } + ] +}
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