diff options
Diffstat (limited to 'Materials_science_and_engineering_an_introduction/CH12.ipynb')
-rw-r--r-- | Materials_science_and_engineering_an_introduction/CH12.ipynb | 16 |
1 files changed, 0 insertions, 16 deletions
diff --git a/Materials_science_and_engineering_an_introduction/CH12.ipynb b/Materials_science_and_engineering_an_introduction/CH12.ipynb index ee793447..b2774698 100644 --- a/Materials_science_and_engineering_an_introduction/CH12.ipynb +++ b/Materials_science_and_engineering_an_introduction/CH12.ipynb @@ -27,16 +27,12 @@ "cell_type": "code",
"collapsed": false,
"input": [
- "#Computation of Minimum Caion-to-Anion Radius Ratio forCo-ordination No. of 3\n",
"\n",
- "#For equilateral triangle after joining centres of the atoms Angle = 30\n",
"a=30\n",
"\n",
- "#Calculation\n",
"import math\n",
"ratio=(1-math.cos(a*math.pi/180.0))/math.cos(a*math.pi/180.0)\n",
"\n",
- "#Result\n",
"print\"Cation to anion raio is \",round(ratio,3)\n",
"\n"
],
@@ -65,16 +61,12 @@ "cell_type": "code",
"collapsed": false,
"input": [
- "#Ceramic Crystal structure prediction\n",
"\n",
- "#Given\n",
"r_Fe=0.077 # in nm Radius of iron cation Fe++\n",
"r_O=0.140 #in nm Radius of Oxygen anion O--\n",
"\n",
- "#Calculation\n",
"ratio=r_Fe/r_O\n",
"\n",
- "#Result\n",
"print\"Ratio is \",ratio\n",
"if 0.414<ratio<0.732: \n",
" print\"Co-ordinaton no. is 6\"\n",
@@ -110,22 +102,18 @@ "cell_type": "code",
"collapsed": false,
"input": [
- "#Theoretical Density Determination for NaCl\n",
"\n",
- "#Given\n",
"A_Na=22.99 # in g/mol\n",
"A_Cl=35.45 #in g/mol\n",
"r_Na=0.102*10**-7 #in cm Radius of Na+ ion\n",
"r_Cl=0.181*10**-7 #in cm Radius of Cl- ion\n",
"Na=6.023*10**23 #Avogadro number\n",
"\n",
- "#Calculation\n",
"a=2*(r_Na+r_Cl)\n",
"V=a**3\n",
"n=4 #For FCC, no. of atoms are 4 per crystal\n",
"density=n*(A_Na+A_Cl)/(V*Na)\n",
"\n",
- "#Result\n",
"print\"Density is \",round(density,2),\"gm/cm**3\"\n",
"\n"
],
@@ -154,15 +142,12 @@ "cell_type": "code",
"collapsed": false,
"input": [
- "#Computation of the No. of Schottky Defects in KCl\n",
"\n",
- "#Given\n",
"Na=6.023*10**23 #Avogadro number\n",
"density=1.955 #in g/cm**3\n",
"A_K=39.1 #in g/mol\n",
"A_Cl=35.45 #in g/mol\n",
"\n",
- "#calculation\n",
"import math\n",
"N=Na*density*10**6/(A_K+A_Cl)\n",
"Qs=2.6 # in eV\n",
@@ -170,7 +155,6 @@ "T=500.0+273.0 # in K\n",
"Ns=N*math.exp(-Qs/(2*k*T))\n",
"\n",
- "#result\n",
"print\"No. of Schottky Defects are \",round(Ns,-17),\"/m**3\"\n",
"\n"
],
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