From b1f5c3f8d6671b4331cef1dcebdf63b7a43a3a2b Mon Sep 17 00:00:00 2001 From: priyanka Date: Wed, 24 Jun 2015 15:03:17 +0530 Subject: initial commit / add all books --- 3159/CH5/EX5.1/Ex5_1.sce | 22 ++++++++++++++++++++++ 3159/CH5/EX5.1/Ex5_1.txt | 8 ++++++++ 3159/CH5/EX5.3/Ex5_3.sce | 11 +++++++++++ 3159/CH5/EX5.3/Ex5_3.txt | 2 ++ 3159/CH5/EX5.4/Ex5_4.sce | 9 +++++++++ 3159/CH5/EX5.4/Ex5_4.txt | 3 +++ 3159/CH5/EX5.5/Ex5_5.sce | 6 ++++++ 3159/CH5/EX5.5/Ex5_5.txt | 3 +++ 3159/CH5/EX5.6/Ex5_6.sce | 12 ++++++++++++ 3159/CH5/EX5.6/Ex5_6.txt | 4 ++++ 10 files changed, 80 insertions(+) create mode 100755 3159/CH5/EX5.1/Ex5_1.sce create mode 100755 3159/CH5/EX5.1/Ex5_1.txt create mode 100755 3159/CH5/EX5.3/Ex5_3.sce create mode 100755 3159/CH5/EX5.3/Ex5_3.txt create mode 100755 3159/CH5/EX5.4/Ex5_4.sce create mode 100755 3159/CH5/EX5.4/Ex5_4.txt create mode 100755 3159/CH5/EX5.5/Ex5_5.sce create mode 100755 3159/CH5/EX5.5/Ex5_5.txt create mode 100755 3159/CH5/EX5.6/Ex5_6.sce create mode 100755 3159/CH5/EX5.6/Ex5_6.txt (limited to '3159/CH5') diff --git a/3159/CH5/EX5.1/Ex5_1.sce b/3159/CH5/EX5.1/Ex5_1.sce new file mode 100755 index 000000000..c3922bc7b --- /dev/null +++ b/3159/CH5/EX5.1/Ex5_1.sce @@ -0,0 +1,22 @@ +// Calculate packing efficiency and density of diamond +clc +n_c = 1/8 // sharing of corner atom in a unit cell +N_c = 8 // Number of corner atoms in unit cell +n_b = 1 // sharing of body centered atom in a unit cell +N_b = 4 // Number of body centered atoms in unit cell +n_f = 0.5// sharing of face centered atom in a unit cell +N_f = 6// Number of face centered atoms in unit cell +a = 1 // let lattice parameter +m = 12 // mass of carbon +printf("\n Example 5.1") +printf("\n Part A:") +N = n_c*N_c+n_b*N_b+n_f*N_f // effective number of atoms +r = a*sqrt(3)/8 +p_e = N*4/3*%pi*r^3/a^3 // packing efficiency + +printf("\n Packing efficiency of diamond is %.2f",p_e) +printf("\n\n Part B:") +a = 3.57 // lattice parameter in angstrom +d = m*1.66e-27*N/(a*1e-10)^3 +printf("\n Density of diamond is %d Kg/m^3",d)// numerical answer in book is 3500 +printf("\n Density of diamond is %.1f g/cm^3",d/1000) diff --git a/3159/CH5/EX5.1/Ex5_1.txt b/3159/CH5/EX5.1/Ex5_1.txt new file mode 100755 index 000000000..e62993050 --- /dev/null +++ b/3159/CH5/EX5.1/Ex5_1.txt @@ -0,0 +1,8 @@ + + Example 5.1 + Part A: + Packing efficiency of diamond is 0.34 + + Part B: + Density of diamond is 3502 Kg/m^3 + Density of diamond is 3.5 g/cm^3 \ No newline at end of file diff --git a/3159/CH5/EX5.3/Ex5_3.sce b/3159/CH5/EX5.3/Ex5_3.sce new file mode 100755 index 000000000..2942a912e --- /dev/null +++ b/3159/CH5/EX5.3/Ex5_3.sce @@ -0,0 +1,11 @@ +// calculate the c/a ratio for an ideally close packed HCP crystal +clc +a = 1 // let +PR = a +printf("\ Example 5.3") +RT = a/sqrt(3) +PT = sqrt(PR^2-RT^2) +c_a = 2*PT/PR +// Calculations are made on the crystal structure drawn in book +printf("\n c/a ratio for an ideally close packed HCP crystal is %0.3f ",c_a) + diff --git a/3159/CH5/EX5.3/Ex5_3.txt b/3159/CH5/EX5.3/Ex5_3.txt new file mode 100755 index 000000000..f6e5db4c2 --- /dev/null +++ b/3159/CH5/EX5.3/Ex5_3.txt @@ -0,0 +1,2 @@ + Example 5.3 + c/a ratio for an ideally close packed HCP crystal is 1.633 \ No newline at end of file diff --git a/3159/CH5/EX5.4/Ex5_4.sce b/3159/CH5/EX5.4/Ex5_4.sce new file mode 100755 index 000000000..e06aaf6bd --- /dev/null +++ b/3159/CH5/EX5.4/Ex5_4.sce @@ -0,0 +1,9 @@ +// find the size of largest sphere that can fit into a tetrahedral void +clc +r = 1 // let +a = 3/4 +printf("\n Example 5.4") +pt = 2*sqrt(2/3)*r +s = a*pt-r // size of sphere +printf("\n Size of largest sphere that can fit into a tetrahedral void is %.3fr",s) + diff --git a/3159/CH5/EX5.4/Ex5_4.txt b/3159/CH5/EX5.4/Ex5_4.txt new file mode 100755 index 000000000..3ed50986c --- /dev/null +++ b/3159/CH5/EX5.4/Ex5_4.txt @@ -0,0 +1,3 @@ + + Example 5.4 + Size of largest sphere that can fit into a tetrahedral void is 0.225r \ No newline at end of file diff --git a/3159/CH5/EX5.5/Ex5_5.sce b/3159/CH5/EX5.5/Ex5_5.sce new file mode 100755 index 000000000..fffe2b017 --- /dev/null +++ b/3159/CH5/EX5.5/Ex5_5.sce @@ -0,0 +1,6 @@ +// find critical radius ratio for triangular coordination +clc +theta = 60 // angle in degree +printf("\n Example 5.5") +r_c_a = (2/3*2*sin(theta*%pi/180))-1 // ratio calculation +printf("\n Critical radius ratio for triangular coordination is %0.3f ",r_c_a) diff --git a/3159/CH5/EX5.5/Ex5_5.txt b/3159/CH5/EX5.5/Ex5_5.txt new file mode 100755 index 000000000..5c520a503 --- /dev/null +++ b/3159/CH5/EX5.5/Ex5_5.txt @@ -0,0 +1,3 @@ + + Example 5.5 + Critical radius ratio for triangular coordination is 0.155 \ No newline at end of file diff --git a/3159/CH5/EX5.6/Ex5_6.sce b/3159/CH5/EX5.6/Ex5_6.sce new file mode 100755 index 000000000..37cb2f6cb --- /dev/null +++ b/3159/CH5/EX5.6/Ex5_6.sce @@ -0,0 +1,12 @@ +// Calculate density of MgO +clc +r_mg = 0.78 // radius of magnesium cation in angstrom +r_o = 1.32 // radius of oxygen anion in angstrom +n = 4 // effective number of unit cell +m_o = 16 // mass of oxygen +m_mg = 24.3 // mass of magnesium +printf("\n Example 5.6") +a = 2*(r_mg+r_o)// lattice parameter +d = (m_o+m_mg)*1.66e-27*n/(a*1e-10)^3// density +printf("\n Density of MgO is %d Kg/m^3",d) // answer is 3610 kg/m^3 +printf("\n Density of MgO is %0.2f g/cm^3",d/1000) diff --git a/3159/CH5/EX5.6/Ex5_6.txt b/3159/CH5/EX5.6/Ex5_6.txt new file mode 100755 index 000000000..2b2fb66c2 --- /dev/null +++ b/3159/CH5/EX5.6/Ex5_6.txt @@ -0,0 +1,4 @@ + + Example 5.6 + Density of MgO is 3611 Kg/m^3 + Density of MgO is 3.61 g/cm^3 \ No newline at end of file -- cgit