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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
}
|
