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{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# 3: X-ray Diffraction"
]
},
{
"cell_type": "markdown",
"metadata": {
"collapsed": true
},
"source": [
"# Example number 3.1, Page number 80"
]
},
{
"cell_type": "code",
"execution_count": 1,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"wavelength is 0.97938 angstrom\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"d=2.82*10**-10; #lattice spacing(m)\n",
"theta=10; #glancing angle(degree)\n",
"n=1; #order\n",
"\n",
"#Calculation\n",
"theta=theta*math.pi/180; #angle(radian)\n",
"lamda=2*d*math.sin(theta)/n; #wavelength(m)\n",
"\n",
"#Result\n",
"print \"wavelength is\",round(lamda*10**10,5),\"angstrom\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.2, Page number 80"
]
},
{
"cell_type": "code",
"execution_count": 5,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"wavelength is 1.262 angstrom\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"d=3.035*10**-10; #lattice spacing(m)\n",
"theta=12; #glancing angle(degree)\n",
"n=1; #order\n",
"\n",
"#Calculation\n",
"theta=theta*math.pi/180; #angle(radian)\n",
"lamda=2*d*math.sin(theta)/n; #wavelength(m)\n",
"\n",
"#Result\n",
"print \"wavelength is\",round(lamda*10**10,3),\"angstrom\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.3, Page number 81"
]
},
{
"cell_type": "code",
"execution_count": 2,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"wavelengths are 1.464 angstrom and 1.6525 angstrom\n",
"answer varies due to rounding off errors\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"d=2.81; #lattice spacing(angstrom)\n",
"theta1=15.1; #glancing angle(degree)\n",
"theta2=17.1; #glancing angle(degree)\n",
"\n",
"#Calculation\n",
"theta1=theta1*math.pi/180; #angle(radian)\n",
"lamda1=2*d*math.sin(theta1); #wavelength(angstrom)\n",
"theta2=theta2*math.pi/180; #angle(radian)\n",
"lamda2=2*d*math.sin(theta2); #wavelength(angstrom)\n",
"\n",
"#Result\n",
"print \"wavelengths are\",round(lamda1,3),\"angstrom and\",round(lamda2,4),\"angstrom\"\n",
"print \"answer varies due to rounding off errors\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.4, Page number 81"
]
},
{
"cell_type": "code",
"execution_count": 3,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"separation between lattice planes is 4.035 angstrom\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"lamda=1.54; #wavelength(angstrom)\n",
"theta=11; #glancing angle(degree)\n",
"\n",
"#Calculation\n",
"theta=theta*math.pi/180; #angle(radian)\n",
"d=lamda/(2*math.sin(theta)); #separation between lattice planes(angstrom)\n",
"\n",
"#Result\n",
"print \"separation between lattice planes is\",round(d,3),\"angstrom\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.5, Page number 81"
]
},
{
"cell_type": "code",
"execution_count": 4,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"wavelength is 1.84 angstrom\n",
"answer in the book is wrong\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"lamdaB=0.92; #wavelength(angstrom)\n",
"theta1=30; #glancing angle(degree)\n",
"theta2=60; #glancing angle(degree)\n",
"\n",
"#Calculation\n",
"theta1=theta1*math.pi/180; #angle(radian)\n",
"theta2=theta2*math.pi/180; #angle(radian)\n",
"lamdaA=2*lamdaB*math.sin(theta1)/math.sin(theta1); #wavelength of line A(angstrom)\n",
"\n",
"#Result\n",
"print \"wavelength is\",lamdaA,\"angstrom\"\n",
"print \"answer in the book is wrong\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.6, Page number 81"
]
},
{
"cell_type": "code",
"execution_count": 5,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"debroglie wavelength is 0.7406 *10**-10 metre\n",
"velocity is 9.793 *10**6 m/sec\n",
"answer in the book is wrong\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"d=0.4086*10**-10; #lattice spacing(m)\n",
"theta=65; #glancing angle(degree)\n",
"h=6.6*10**-34; #plank's constant(Js)\n",
"m=9.1*10**-31; #mass(kg)\n",
"n=1;\n",
"\n",
"#Calculation\n",
"theta=theta*math.pi/180; #angle(radian)\n",
"lamda=2*d*math.sin(theta)/n; #debroglie wavelength(m)\n",
"v=h/(m*lamda); #velocity(m/sec)\n",
"\n",
"#Result\n",
"print \"debroglie wavelength is\",round(lamda*10**10,4),\"*10**-10 metre\"\n",
"print \"velocity is\",round(v/10**6,3),\"*10**6 m/sec\"\n",
"print \"answer in the book is wrong\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.7, Page number 82"
]
},
{
"cell_type": "code",
"execution_count": 6,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"longest wavelength is 5.64 angstrom\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"d=2.82*10**-10; #lattice spacing(m)\n",
"sintheta=1; \n",
"n=1;\n",
"\n",
"#Calculation\n",
"lamda_max=2*d*sintheta/n; #longest wavelength(m)\n",
"\n",
"#Result\n",
"print \"longest wavelength is\",lamda_max*10**10,\"angstrom\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.8, Page number 82"
]
},
{
"cell_type": "code",
"execution_count": 7,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"glancing angle is 26.599 degree\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"d=0.842*10**-10; #lattice spacing(m)\n",
"theta1=8+(35/60); #glancing angle(degree)\n",
"n1=1; #order\n",
"n2=3; #order\n",
"\n",
"#Calculation\n",
"theta1=theta1*math.pi/180; #angle(radian)\n",
"theta3=math.asin(n2*math.sin(theta1)); #glancing angle(radian)\n",
"theta3=theta3*180/math.pi; #glancing angle(degree)\n",
"\n",
"#Result\n",
"print \"glancing angle is\",round(theta3,3),\"degree\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.9, Page number 82"
]
},
{
"cell_type": "code",
"execution_count": 8,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"interplanar spacing is 1.804 angstrom\n",
"answer varies due to rounding off errors\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"lamda=0.58; #wavelength(angstrom)\n",
"theta1=6+(45/60); #glancing angle(degree)\n",
"theta2=9+(15/60); #glancing angle(degree)\n",
"theta3=13; #glancing angle(degree)\n",
"\n",
"#Calculation\n",
"theta1=theta1*math.pi/180; #angle(radian)\n",
"theta2=theta2*math.pi/180; #angle(radian)\n",
"theta3=theta3*math.pi/180; #angle(radian)\n",
"x1=lamda/(2*math.sin(theta1));\n",
"x2=lamda/(2*math.sin(theta2));\n",
"\n",
"#Result\n",
"print \"interplanar spacing is\",round(x2,3),\"angstrom\"\n",
"print \"answer varies due to rounding off errors\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.10, Page number 83"
]
},
{
"cell_type": "code",
"execution_count": 9,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"lattice spacing is 2.7882 angstrom\n",
"avagadro number is 6.2337 *10**26 mol/k-mole\n",
"answer varies due to rounding off errors\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"lamda=1.3922; #wavelength(angstrom)\n",
"n=1;\n",
"theta=14+(27/60)+(26/(60*60)); #glancing angle(degree)\n",
"M=58.454; #molecular weight\n",
"rho=2163; #density(kg/m**3)\n",
"\n",
"#Calculation\n",
"theta=theta*math.pi/180; #angle(radian)\n",
"d=n*lamda/(2*math.sin(theta)); #lattice spacing(angstrom)\n",
"d_m=d*10**-10; #lattice spacing(m)\n",
"N=M/(2*rho*d_m**3); #avagadro number(mol/k-mole)\n",
"\n",
"#Result\n",
"print \"lattice spacing is\",round(d,4),\"angstrom\"\n",
"print \"avagadro number is\",round(N/10**26,4),\"*10**26 mol/k-mole\"\n",
"print \"answer varies due to rounding off errors\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.11, Page number 84"
]
},
{
"cell_type": "code",
"execution_count": 11,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"ratio of angles of incidence are 0.104 : 0.2108 : 0.3123 which is nothing but 1.0 : 2.0 : 3.0\n",
"angles of incidence should be 1st, 2nd and 3rd orders\n",
"spacing is 2.804 *10**-10 m\n",
"answer varies due to rounding off errors\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"lamda=0.586*10**-10; #wavelength(m)\n",
"theta1=5+(58/60); #glancing angle(degree)\n",
"theta2=12+(10/60); #glancing angle(degree)\n",
"theta3=18+(12/60); #glancing angle(degree)\n",
"\n",
"#Calculation\n",
"theta1=theta1*math.pi/180; #angle(radian)\n",
"theta2=theta2*math.pi/180; #angle(radian)\n",
"theta3=theta3*math.pi/180; #angle(radian)\n",
"x1=math.sin(theta1);\n",
"x2=math.sin(theta2);\n",
"x3=math.sin(theta3);\n",
"d1=lamda/(2*math.sin(theta1)); #spacing for 1st order(m)\n",
"d2=2*lamda/(2*math.sin(theta2)); #spacing for 2nd order(m)\n",
"d3=3*lamda/(2*math.sin(theta3)); #spacing for 3rd order(m)\n",
"d=(d1+d2+d3)/3; #spacing(m)\n",
"\n",
"#Result\n",
"print \"ratio of angles of incidence are\",round(x1,3),\":\",round(x2,4),\":\",round(x3,4),\"which is nothing but\",round(x1,1)*10,\":\",round(x2,1)*10,\":\",round(x3,1)*10\n",
"print \"angles of incidence should be 1st, 2nd and 3rd orders\"\n",
"print \"spacing is\",round(d*10**10,3),\"*10**-10 m\"\n",
"print \"answer varies due to rounding off errors\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.12, Page number 84"
]
},
{
"cell_type": "code",
"execution_count": 12,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"ratio of angles of incidence are 0 : 1.413 : 1.744\n",
"the crystal is a simple cubic crystal\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"theta1=5+(23/60); #glancing angle(degree)\n",
"theta2=7+(37/60); #glancing angle(degree)\n",
"theta3=9+(25/60); #glancing angle(degree)\n",
"\n",
"#Calculation\n",
"theta1=theta1*math.pi/180; #angle(radian)\n",
"theta2=theta2*math.pi/180; #angle(radian)\n",
"theta3=theta3*math.pi/180; #angle(radian)\n",
"x1=math.sin(theta1);\n",
"X1=1/(10*x1);\n",
"x2=math.sin(theta2)/x1;\n",
"x3=math.sin(theta3)/x1;\n",
"\n",
"#Result\n",
"print \"ratio of angles of incidence are\",int(x1),\":\",round(x2,3),\":\",round(x3,3)\n",
"print \"the crystal is a simple cubic crystal\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.13, Page number 85"
]
},
{
"cell_type": "code",
"execution_count": 13,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"spacing of crystal is 0.38 angstrom\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"h=6.62*10**-34; #planck's constant(J sec)\n",
"e=1.6*10**-19; #charge(coulomb)\n",
"m=9*10**-31; #mass(kg) \n",
"E=344; #energy(volts)\n",
"n=1;\n",
"theta=60; #angle(degrees)\n",
"\n",
"#Calculation\n",
"lamda=h/math.sqrt(2*m*e*E); #wavelength(m)\n",
"theta=theta*math.pi/180; #angle(radian)\n",
"d=n*lamda*10**10/(2*math.sin(theta)); #spacing of crystal(angstrom)\n",
"\n",
"#Result\n",
"print \"spacing of crystal is\",round(d,2),\"angstrom\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Example number 3.14, Page number 85"
]
},
{
"cell_type": "code",
"execution_count": 14,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"lattice parameter is 4.1 angstrom\n",
"radius of atom is 1.45 angstrom\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration\n",
"h=2;\n",
"k=2;\n",
"l=0;\n",
"n=1;\n",
"theta=32; #angle(degrees)\n",
"lamda=1.54*10**-10; #wavelength(m)\n",
"\n",
"#Calculation\n",
"theta=theta*math.pi/180; #angle(radian)\n",
"d=n*lamda*10**10/(2*math.sin(theta)); #spacing of crystal(angstrom)\n",
"a=d*math.sqrt(h**2+k**2+l**2); #lattice parameter(angstrom)\n",
"r=a/(2*math.sqrt(2)); #radius of atom(angstrom)\n",
"\n",
"#Result\n",
"print \"lattice parameter is\",round(a,1),\"angstrom\"\n",
"print \"radius of atom is\",round(r,2),\"angstrom\""
]
}
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