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-{
- "cells": [
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "# 2: Crystal Structures"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "## Example number 1, Page number 2-16"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 2,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "free volume per 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; #radius(nm)\n",
- "n=2; #number of atoms\n",
- "\n",
- "#Calculation\n",
- "a=4*r/math.sqrt(3); #unit cell edge length(nm)\n",
- "V=a**3; #volume of unit cell(nm**3)\n",
- "v=4*n*math.pi*r**3/3; #volume of atoms in unit cell(nm**3)\n",
- "fv=V-v; #free volume per unit cell(nm**3)\n",
- "\n",
- "#Result\n",
- "print \"free volume per unit cell is\",round(fv,6),\"nm**3\""
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "## Example number 2, Page number 2-16"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 3,
- "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=6.02*10**26; #Avagadro Number\n",
- "n=2;\n",
- "rho=530; #density(kg/m**3)\n",
- "M=6.94; #atomic weight(amu)\n",
- "\n",
- "#Calculation\n",
- "a=(n*M/(rho*N))**(1/3)*10**10; #lattice constant(angstrom)\n",
- "\n",
- "#Result\n",
- "print \"lattice constant is\",round(a,3),\"angstrom\""
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "## Example number 3, Page number 2-17"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 7,
- "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=6.02*10**23; #Avagadro Number\n",
- "n=2;\n",
- "rho=7860; #density(kg/m**3)\n",
- "M=55.85; #atomic weight(amu)\n",
- "\n",
- "#Calculation\n",
- "a=(n*M/(rho*N))**(1/3)*10**9; #lattice constant(angstrom)\n",
- "\n",
- "#Result\n",
- "print \"lattice constant is\",round(a,2),\"angstrom\""
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "## Example number 4, Page number 2-17"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 9,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "number of atoms per m**3 is 177.3 *10**27 atoms/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=0.356*10**-9; #lattice constant(m)\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 atoms/m**3\""
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "## Example number 5, Page number 2-17"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 11,
- "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=10**7; #1mm in angstrom\n",
- "\n",
- "#Calculation\n",
- "N=n**2/a**2; #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 6, Page number 2-18"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 13,
- "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=6.02*10**26; #Avagadro Number\n",
- "n=8; #number of atoms\n",
- "a=5.62*10**-10; #lattice constant(m)\n",
- "M=72.59; #atomic weight(amu)\n",
- "\n",
- "#Calculation\n",
- "rho=n*M/(a**3*N); #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": "2.7.11"
- }
- },
- "nbformat": 4,
- "nbformat_minor": 0
-}
generated by cgit (git 2.34.1) at 2025-03-12 16:25:56 +0000