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authorpriyanka2015-06-24 15:03:17 +0530
committerpriyanka2015-06-24 15:03:17 +0530
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-rwxr-xr-x539/CH12/EX12.1/Example_12_1.sce16
-rwxr-xr-x539/CH12/EX12.2/Example_12_2.sce19
-rwxr-xr-x539/CH12/EX12.3/Example_12_3.sce25
-rwxr-xr-x539/CH12/EX12.4/Example_12_4.sce26
-rwxr-xr-x539/CH12/EX12.5/Example_12_5.sce16
5 files changed, 102 insertions, 0 deletions
diff --git a/539/CH12/EX12.1/Example_12_1.sce b/539/CH12/EX12.1/Example_12_1.sce
new file mode 100755
index 000000000..0cafe2f4d
--- /dev/null
+++ b/539/CH12/EX12.1/Example_12_1.sce
@@ -0,0 +1,16 @@
+//Computation of Minimum Caion-to-Anion Radius Ratio forCo-ordination No. of 3
+
+clear;
+clc;
+
+printf("\tExample 12.1\n");
+
+printf("\nFor equilateral triangle after joining centres of the atoms \nAngle = 30\n");
+
+a=30;
+
+ratio=(1-cos(30*%pi/180))/cos(30*%pi/180);
+
+printf("\nCation to anion raio is : %.3f\n",ratio);
+
+//End \ No newline at end of file
diff --git a/539/CH12/EX12.2/Example_12_2.sce b/539/CH12/EX12.2/Example_12_2.sce
new file mode 100755
index 000000000..3d1070ca2
--- /dev/null
+++ b/539/CH12/EX12.2/Example_12_2.sce
@@ -0,0 +1,19 @@
+//Ceramic Crystal structure prediction
+
+clear;
+clc;
+
+printf("\tExample 12.2\n");
+
+r_Fe=0.077; // in nm Radius of iron cation Fe++
+
+r_O=0.140; //in nm Radius of Oxygen anion O--
+
+ratio=r_Fe/r_O;
+
+printf("\nRatio is : %0.3f",ratio);
+
+if ratio>0.414 & ratio<0.732 then
+ printf("\nCo-ordinaton no. is 6");
+ printf("\nStructure is Rock Salt type\n");
+end \ No newline at end of file
diff --git a/539/CH12/EX12.3/Example_12_3.sce b/539/CH12/EX12.3/Example_12_3.sce
new file mode 100755
index 000000000..6b2c383a3
--- /dev/null
+++ b/539/CH12/EX12.3/Example_12_3.sce
@@ -0,0 +1,25 @@
+//Theoretical Density Determination for NaCl
+
+clear;
+clc;
+
+printf("\tExample12.3\n");
+
+A_Na=22.99; // in g/mol
+A_Cl=35.45; //in g/mol
+
+r_Na=0.102*10^-7; //in cm Radius of Na+ ion
+r_Cl=0.181*10^-7; //in cm Radius of Cl- ion
+
+a=2*(r_Na+r_Cl);
+V=a^3;
+
+n=4; //For FCC, no. of atoms are 4 per crystal
+
+Na=6.023*10^23; //Avogadro number
+
+density=n*(A_Na+A_Cl)/(V*Na);
+
+printf("\nDensity is : %0.2f g/cm^3\n",density);
+
+//End \ No newline at end of file
diff --git a/539/CH12/EX12.4/Example_12_4.sce b/539/CH12/EX12.4/Example_12_4.sce
new file mode 100755
index 000000000..874891e57
--- /dev/null
+++ b/539/CH12/EX12.4/Example_12_4.sce
@@ -0,0 +1,26 @@
+//Computation of the No. of Schottky Defects in KCl
+
+clear;
+clc;
+
+printf("\tExample 12.4\n");
+
+Na=6.023*10^23; //Avogadro number
+density=1.955; //in g/cm^3
+
+A_K=39.1; //in g/mol
+A_Cl=35.45; //in g/mol
+
+N=Na*density*10^6/(A_K+A_Cl);
+
+printf("\nNo. of lattice points are : %0.2f * 10 ^ 28 /m^3\n",N/10^28);
+
+Qs=2.6; // in eV
+k=8.62*10^-5; // in eV/K Boltzmann Constant
+T=500+273; // in K
+
+Ns=N*%e^(-Qs/(2*k*T));
+
+printf("\nSchottky Defects are : %0.2f * 10 ^ 19 /m^3\n",Ns/10^19);
+
+//End \ No newline at end of file
diff --git a/539/CH12/EX12.5/Example_12_5.sce b/539/CH12/EX12.5/Example_12_5.sce
new file mode 100755
index 000000000..ad53f44bf
--- /dev/null
+++ b/539/CH12/EX12.5/Example_12_5.sce
@@ -0,0 +1,16 @@
+//Determination of Possible Point Defect Types
+
+clear;
+clc;
+
+printf("\tExample 12.5\n");
+
+disp("Replacement of Na+ by a Ca++ ion introduces one extra positive charge");
+
+disp("Removal of a positive charge is accomplished by the formation of one Na+ vacancy");
+
+disp("Alternatively, a Cl- interstitial will supply an additional negative charge, negating the effect of each Ca++ ion.");
+
+disp("The formation of this defect is highly unlikely.");
+
+//End \ No newline at end of file