Scilab Textbook Companion for

Materials Science and Engineering - A First

Course
by V. Raghavan1

Created by
Vareesh Pratap
B.Tech
Mechanical Engineering
Madan Mohan Malaviya University of Technology
College Teacher
None
Cross-Checked by
Aviral Yadav

June 2, 2016

1
Funded by a grant from the National Mission on Education through ICT,
http://spoken-tutorial.org/NMEICT-Intro. This Textbook Companion and Scilab
codes written in it can be downloaded from the ”Textbook Companion Project”
section at the website http://scilab.in
Book Description

Title:  Materials Science and Engineering - A First Course

Author:  V. Raghavan

Publisher:   Prentice Hall, India

Edition: 5

Year:   2007

ISBN:   9788120324558

1
 Scilab numbering policy used in this document and the relation to the
above book.

Exa  Example (Solved example)

Eqn  Equation (Particular equation of the above book)

AP  Appendix to Example(Scilab Code that is an Appednix to a particular

Example of the above book)

For example, Exa 3.51 means solved example 3.51 of this book. Sec 2.3 means
a scilab code whose theory is explained in Section 2.3 of the book.

2
Contents

Listt of Scilab Codes

Lis 4

2 Equ
Equili
ilibri
brium
um and
and Kine
Kinetic
ticss 5

3 Cry
Crysta
stall Geometry
Geometry and Structur
Structure
e Determina
Determinatio
tion
n 7

4 At
Atomi
omic
c Structure
Structure and
and Chemical
Chemical Bondin
Bonding
g 11

5 St
Struc
ructu
ture
re of
of Soli
Solid
d 13

6 Cry
Crysta
stall Impe
Imperfec
rfectio
tion
n 17

7 Ph
Phas
ase
e Di
Diag
agram
ram 21

8 Di
Diffu
ffusi
sion
on in
in Soli
Solids
ds 24

9 Pha
Phase
se Trans
Transfor
format
mation
ion 28

10 Elastic Anelastic and Viscoelastic Behaviour 32

11 Plastic Deformation and Creep in Crystalline Materials 34

12 Fracture 38

13 Oxidation and Corrosion 41

14 Conductors and Resistors 42

15 Semiconductors 44

3
16 Magnetic Materials 45

17 Dielectric Materials 48

4
List of Scilab Codes

Exa 2.1 Calculate the entropy increase . . . . . . . . . . . . . 5

Exa 2.2 Calculation of fraction of atoms with energy equal to or
greater than 1eV at temperatures . . . . . . . . . . . . 5
Exa 3.2 Calculate effective number of lattice point in three cubic
space lattice . . . . . . . . . . . . . . . . . . . . . . . 7
Exa 3.7 Determine interplanar spacing and miller indices . . . 8
Exa 3.8 Determine structure and lattice parameter of material 9
Exa 4.1 Calculate frequency and wavelength of radiation   . . . 11
Exa 4.3 Reconcile the difference of energy . . . . . . . . . . . . 12
Exa 4.4 Calculation of fraction of hydrogen bonds which breaks
during ice melting . . . . . . . . . . . . . . . . . . . . 12
Exa 5.1 Calculate packing efficiency and density of diamond . 13
Exa 5.3 Calculate the cation to anion ratio for an ideally close
packed HCP crystal . . . . . . . . . . . . . . . . . . . 14
Exa 5.4 find the size of largest sphere that can fit into a tetra-
hedral void . . . . . . . . . . . . . . . . . . . . . . . . 14
Exa 5.5 Find critical radius ratio for triangular coordination . 15
Exa 5.6 Calculate density of MgO   . . . . . . . . . . . . . . . . 15
Exa 6.1 Find equilibrium concentration of vacancies in metals at
given temperature . . . . . . . . . . . . . . . . . . . . 17
Exa 6.2 Compute the line energy of dislocation . . . . . . . . . 18
Exa 6.4 Calculation of down climb of crystal on heating . . . . 18
Exa 6.5 Calculate surface energy of copper crystal of type 111 19
Exa 6.6 Compute the angle at the bottom of groove of a boundary 20
Exa 7.1 Find degrees of freedom of a system of two components 21
Exa 7.2 Find minimum number of component in system . . . . 21
Exa 7.3 Calculate amount of pure water that can be extracted
from sea water . . . . . . . . . . . . . . . . . . . . . . 22

5
Exa 7.5 Calculate proeutectoid ferrite and eutectoid ferrite in 6
tenth percent steel   . . . . . . . . . . . . . . . . . . . . 22
Exa 8.1 Calculate the rate at which hydrogen escapes through
the walls of the steel tank   . . . . . . . . . . . . . . . . 24
Exa 8.2 Calculate maximum time till which material can be kept
at 550 degree Celsius . . . . . . . . . . . . . . . . . . . 24
Exa 8.3 Calculate minimum depth up to which post machining
is to be done . . . . . . . . . . . . . . . . . . . . . . . 25
Exa 8.4 Calculate time required to get required boron concen-
tration . . . . . . . . . . . . . . . . . . . . . . . . . . 26
Exa 8.5 Calculate ratio of cross sectional areas   . . . . . . . . . 27
Exa 9.1 Calculate the critical free energy of nucleation of ice
from water and critical radius . . . . . . . . . . . . . . 28
Exa 9.2 Calculate the change in delta f required to increase nu-
cleation rate . . . . . . . . . . . . . . . . . . . . . . . 29
Exa 9.4 Calculate delta f of heterogeneous as a fraction of delta
f of homogeneous . . . . . . . . . . . . . . . . . . . . . 30
Exa 9.6 Calculate the free energy change during recrystallization 30
Exa 10.1 Estimate Youngs modulus of material . . . . . . . . . 32
Exa 10.2 Calculation of stress in fibers . . . . . . . . . . . . . . 32
Exa 10.3 Estimate diffusion coefficient . . . . . . . . . . . . . . 33
Exa 11.2 Calculate the stress required to move the dislocation at
given temperature . . . . . . . . . . . . . . . . . . . . 34
Exa 11.3 Calculate the dislocation density in copper . . . . . . 35
Exa 11.4 Find the yield stress for a grain size of ASTM 9 . . . . 36
Exa 11.5 Estimate the change in yield strength . . . . . . . . . 36
Exa 12.1 Estimate fracture strength . . . . . . . . . . . . . . . . 38
Exa 12.2 Estimate the brittle fracture strength at low tempera-
tures . . . . . . . . . . . . . . . . . . . . . . . . . . . . 38
Exa 12.3 Estimate the temperature at which the ductility of brit-
tle transition occurs at given strain rates . . . . . . . . 39
Exa 13.2 Calculation of required quantity of magnesium   . . . . 41
Exa 14.1 Calculate energy difference . . . . . . . . . . . . . . . 42
Exa 14.2 Calculate conductivity of copper at 300 K   . . . . . . . 42
Exa 14.3 Estimation of resistivity due to impurity scattering of 1
percent of Nickel in copper lattice . . . . . . . . . . . 43
Exa 15.1 Calculate intrinsic carrier density . . . . . . . . . . . . 44

6
Exa 16.1 Calculate the net magnetic moment per iron atom in
crystal . . . . . . . . . . . . . . . . . . . . . . . . . . . 45
Exa 16.2 Comparison of saturation temperatures . . . . . . . . 46
Exa 16.4 Calculation of hysteresis loss . . . . . . . . . . . . . . 46
Exa 16.5 Calculation of eddy current loss at normal voltage and
frequency   . . . . . . . . . . . . . . . . . . . . . . . . . 47
Exa 17.1 Calculation of relative dielectric constant . . . . . . . 48
Exa 17.2 Calculate the polarization of a BaTio3 crystal . . . . . 48

7
 Chapter 2

Equilibrium and Kinetics

Scilab code Exa 2.1  Calculate the entropy increase

1   // C a l cu l a te t he e nt ro py i n c r e a s e
2 clc
3 d el _h = 6 .0 2   // H ea t a dd ed i n kJ / mol
4 t _m = 2 73 .1 5   / / mean t em p er a tu re i n k e l v i n
5   printf ( ” \ n E xa mp le 2 . 1 ” )
6 d el _s = d el _h * 1 e 3 / t_ m
7   printf ( ” \ n I n c r e a s e i n e nt ro py i s %. 2 f J molˆ −1 Kˆ−1
” ,del_s)

Scilab code Exa 2.2  Calculation of fraction of atoms with energy equal to
or greater than 1eV at temperatures

1   / / C a lc u la t io n o f f r a c t i o n o f atoms w i t h e ne rg y
e q u a l t o o r g r e a t e r t h a n 1eV a t t e m p e ra t u r e s
2 clc
3 E = 1 // e ne rg y i n e l e c t r o n v o l t
4 e = 1.6 e -19   // c ha rg e on e l e c t r o n

8
 5   k = 1 .3 8 e -2 3   // c o n st a n t
6   t 1 = 300   // t em p er a tu r e i n K
7   t 2 = 15 00   // t em p er a tu re i n K
8   printf ( ” \ n E xa mp le 2 . 2 ” )
9   printf ( ” \ n \ n P a rt A : ” )
10   n _N = exp (-(e/(k*t1)))
11   printf ( ” \ n F r a c ti o n o f atoms w i th e ne rg y e qu a l t o o r
g r e a t e r th an 1eV a t t em p er a tu re %d K i s %. 2 e ” ,
t1,n_N)   // n um er ic al v al ue o f a n s w e r i n book i s 2
e −17
12   printf ( ” \ n \ n P ar t B : ” )
13   n _N = exp (-(e/(k*t2)))
14   printf ( ” \ n F r a c ti o n o f atoms w i th e ne rg y e qu a l t o o r
g r e a t e r th an 1eV a t t em p er a tu re %d K i s %. 2 e ” ,
t2,n_N)   // n u m er i c al v a l u e o f a ns we r i n book i s
4 . 3 e4

9
 Chapter 3

Crystal Geometry and

Structure Determination

Scilab code Exa 3.2   Calculate effective number of lattice point in three
cubic space lattice

1 // C a l c u l a te
e f f e c t i v e number o f l a t t i c e p o i n t i n
thr ee cubi c space l a t t i c e
2 clc
3   s c _n = 1 /8 // s h a r i n g o f on e l a t t i c e p o i nt i n a u n i t
cell
4   s c_N = 8 / / Number o f l a t t i c e p o i n t s i n S i m pl e c u b i c
5 b cc _n _e = 1 /4 // s h a r i n g o f on e e dg e l a t t i c e p o i nt i n
a BCC
6 b cc _N _e = 4 / / Number o f e d g e l a t t i c e p o i n t i n a BCC
7   bcc_n_c = 1 // s h a r i n g o f o ne body c e n t e r l a t t i c e
p o i n t i n a BCC
8 b cc _N _c = 1 / / Number o f bo dy c e n t e r l a t t i c e p o i n t i n
a BCC
9 f cc _n _e = 1 /8 // s h a r i n g o f o ne c o r n e r l a t t i c e p o i n t
i n a FCC
10 f cc _N _e = 8 / / Number o f c o r n e r l a t t i c e p o i n t i n a
FCC
11 f cc _n _f = 1 /2 // s h a r i n g o f o ne f a c e c e n t e r l a t t i c e

10
 p o i n t i n a FCC
12 f cc _N _f = 6 / / Number o f f a c e c e n t e r l a t t i c e p o i n t i n
a FCC
13   printf ( ” \ n Example 3 . 2 ” )
14 s c_ n et = s c_ n * s c_ N
15 b c c _n e t = b c c _n _ e * b c c _ N_ e + b c c _ n _c * b c c _N _ c
16 f c c _n e t = f c c _n _ e * f c c _ N_ e + f c c _ n _f * f c c _N _ f
17   printf ( ” \ n E f f e c t i v e number o f l a t t i c e p o i n t s a r e a s
:”)
18   printf ( ” \ n \ n Space l a t t i c e \ t A b b r ev i a t i o n \ t
E f f e c t i v e number o f l a t t i c e p o i n t i n u n i t c e l l \ n
”)
19   printf ( ” \ n S im pl e c u b ic \ t \ tS C \ t \ t \ t \ t %d\ n B od y
c e n te r c u b i c \ tBCC \ t \ t \ t \ t %d\ n Face c e n t er e d
c u b i c \ tFCC \ t \ t \ t \ t % d ” ,sc_net ,bcc_net ,fcc_net )

Scilab code Exa 3.7   Determine interplanar spacing and miller indices

1   // D e t e r m i n e I n t e r p l a n a r s p a c i n g and m i l l e r i n d i c e s
2 clc
3   a = 3.16 / / l a t t i c e p a r a m e t e r i n a n g st r o m
4   l 1 = 1   // l i n e number
5   l 2 = 2   // l i n e number
6   l 3 = 3   // l i n e number
7   l 4 = 4   // l i n e number
8   t h e ta 1 = 2 0. 3   // a n g l e f o r l i n e 1
9   t h e ta 2 = 2 9. 2 // a n g l e f o r l i n e 2
10   t h e ta 3 = 3 6. 7 // a n g l e f o r l i n e 3
11   t h e ta 4 = 4 3. 6 // a n g l e f o r l i n e 4
12 n = 1   // o r d er
13   l a m bd a = 1 .5 4   // w a ve l en g th i n a ng st ro m
14   printf ( ” \ n E xa mp le 3 . 7 ” )
15   d 1 = l am b da / ( 2* sin (theta1*%pi/180))

11
16  
d 2 = l am b da / ( 2* sin (theta2*%pi/180))
17  
d 3 = l am b da / ( 2* sin (theta3*%pi/180))
18  
d 4 = l am b da / ( 2* sin (theta4*%pi/180))
19  
x 1 = a ^ 2/ d 1 ^2
20  
x 2 = a ^ 2/ d 2 ^2
21  
x 3 = a ^ 2/ d 3 ^2
22 x 4 = a ^ 2/ d 4 ^2   / / where x i s f u n c t i o n o f h , k and l
 
23 printf ( ” \ n I n t e r p l a n a r s p a c i n g i s %. 3 f a n g s t r o m ” ,
 
x1 )   // a ns we r i n book i s 2 . 2 2 0 a ng st ro m
24 if floor ( x1 ) == 2   then
25   printf ( ” \ n \ n F or a ˆ 2 / dˆ 2 = %d \ t R e f l e c t i o n
p la ne i s { 1 1 0 } ” ,x1)
26 end
27
28   i f f lo or ( x2 ) == 4   then
29   printf ( ” \ n Fo r a ˆ 2 / dˆ 2 = %d \ t R e f l e c t i o n
p la ne i s { 2 0 0 } ” ,x2)
30 end
31
32 i f fl oo r ( x3 ) == 6   then
33   printf ( ” \ n F or a ˆ 2 / dˆ 2 = %d \ t R e f l e c t i o n p la ne
i s { 2 1 1 } ” ,x3)
34 end
35
36 i f fl oo r ( x4 ) == 8   then
37   printf ( ” \ n F or a ˆ 2 / dˆ 2 = %d \ t R e f l e c t i o n p la ne
i s { 2 2 0 } ” ,x4)
38 end

Scilab code Exa 3.8  Determine structure and lattice parameter of mate-
rial

1 / / D e te rm i ne s t r u c t u r e and l a t t i c e p a r am e t er o f  

12
 material
2 clc
3   d = 11 4. 6   // d i a m et e r o f p ower c am er a i n a ng st ro m
4   l a m bd a = 1 .5 4   // w a ve l en g th i n a ng st ro m
5   s 1 = 86
6   s 2 = 100
7   s 3 = 148
8   s 4 = 180
9   s 5 = 188
10   s 6 = 232
11   s 7 = 272
12   printf ( ” \ n E xa mp le 3 . 8 ” )
13   R = d /2 / / R a di u s
14 if   R==57.3   then
15 k = 1/4   // B ragg a n gl e f a c t o r
16 end
17   a 1 = ( sin (s1*k*%pi/180))^2
18   a 2 = ( sin (s2*k*%pi/180))^2
19   a 3 = ( sin (s3*k*%pi/180))^2
20   a 4 = ( sin (s4*k*%pi/180))^2
21   a 5 = ( sin (s5*k*%pi/180))^2
22   a 6 = ( sin (s6*k*%pi/180))^2
23   a 7 = ( sin (s7*k*%pi/180))^2
24   c = 2 2   // c o ns t an t t o c o n v er t i n t o i n t e g r a l number
25
26   printf ( ” \ n W it hi n e x pe r i m en t al e r r o r , v a l ue s a re a s
i n i n t e g r a l r a t i o a r e a s : \ n %d: %d: %d: %d: %d: %d: %d
” , ceil ( c * a 1 ) , ceil ( c * a 2 ) , ceil ( c * a 3 ) , ceil ( c * a 4 ) ,
ceil ( c * a 5 ) , ceil ( c * a 6 ) , ceil ( c * a 7 ) )
27   printf ( ” \ n S o , t h i s s t r u c t u r e i s FCC and m a t e r i a l i s
c o p p er w i th 3 . 6 2 a n gs t ro m l a t t i c e p a r am e t er ” )

13
 Chapter 4

Atomic Structure and Chemical

Bonding

Scilab code Exa 4.1  Calculate frequency and wavelength of radiation

1   / / C a l cu l a te f r eq u en c y and w av el en gt h o f r a d i a t i o n
2 clc
3   E = 1 .6 4 e -1 8   // e ne rg y d i f f e r e n c e b et w ee n two s t a t e s
in J
4 h = 6 .6 26 e - 34   // p l an k s c o n st a n t
5 c = 2. 99 8 e8   // s p e e d o f l i g h t i n m/ s
6   printf ( ” \ n E xa mp le 4 . 1 ” )
7   n u = E/ h
8 l am bd a = c / nu
9   printf ( ” \ n F re qu en cy o f e mi t te d r a d i a t i o n i s %. 2 e Hz
” ,nu)
10   printf ( ” \ n Wa velen gth o f e m it t ed r a d i a t i o n i s %. 2 e m
\ n \ t \ t o r \ t \ t % d a n g s t r o m ” ,lambda ,lambda*1e10) //
a ns we r i n book i s 1 21 0 a ng st ro m

14
 Scilab code Exa 4.3   Reconcile the difference of energy

1   // R e c o n c i l e t he d i f f e r e n c e o f e ne rg y
2 clc
3   e _a = 713   // e n th a lp y o f a t o m iz a t io n i n kJ / mol
4   e _b = 347   // bond e n er g y i n kJ / mol
5 a = 4   // t o t a l number o f atoms i n s i n g l e c r y s t a l
structure
6 b = 2   // number o f a to ms i n a bond
7   printf ( ” \ n E xa mp le 4 . 3 ” )
8 k = a/b   // e f f e c t i v e number o f bond p er atom
9   e = k *e_b
10   printf ( ” \ n %d kJ s h ou l d be t he e n th a lp y o f  
a t o m i z a t i o n o f diamond ” , e)
11   printf ( ” \ n However , %d k J i s v er y c l o s e t o %d k J” ,e ,
e_a)

Scilab code Exa 4.4 Calculation of fraction of hydrogen bonds which breaks
during ice melting

1   / / C a l cu l a t io n o f f r a c t i o n o f h yd ro ge n bo nd s wh ich
b r e ak s d ur in g i c e m e l t i n g
2 clc
3 d el _h = 6 .0 2   // e nt ha l p y o f f u s i o n i n kJ /mol
4 n = 2   // number o f h y dr o ge n atom i n 1 w a te r atom
5 d el _b = 2 0. 5   / / h yd ro ge n bond e n er g y i n kJ / mol
6   printf ( ” \ n E xa mp le 4 . 4 ” )
7   f = d el _h / ( n * d el _b )
8   printf ( ” \ n F r a c t i o n o f h yd ro ge n b on ds w hi ch b ro ke n
i s %. 2 f ” ,f )

15
 Chapter 5

Structure of Solid

Scilab code Exa 5.1   Calculate packing efficiency and density of diamond

1   / / C a lc u l a te p ac k in g e f f i c i e n c y and d e n s i t y o f  
diamond
2 clc
3   n _c = 1/8   / / s h a ri n g o f c o rn e r atom i n a u n it c e l l
4 N_c = 8   / / Number o f c o r n e r a tom s i n u n i t c e l l
5 n_b = 1   // s h a ri n g o f body c e nt e re d atom i n a u n it
cell
6 N_b = 4   // Number o f body c e n t e r e d a to ms i n u n i t
cell
7   n _f = 0.5 // s h a r in g o f f a c e c e n t e r e d atom i n a u n i t
cell
8 N_f = 6 // Number o f f a c e c e n t e r e d a to ms i n u n i t c e l l
9 a = 1 // l et l a t t i c e parameter
10   m = 1 2   // mass o f c ar bo n
11   printf ( ” \ n E xa mp le 5 . 1 ” )
12   printf ( ” \ n P a rt A : ” )
13   N = n _c * N _ c + n _ b * N _b + n _ f * N _ f   // e f f e c t i v e number o f  
atoms
14   r = a * sqrt (3)/8
15 p _e = N * 4 /3 * % pi * r ^ 3/ a ^ 3   // p ac ki ng effi cien cy
16

16
17   printf ( ” \ n P ac k in g e f f i c i e n c y o f diamond i s %. 2 f ” ,
p_e)
18   printf ( ” \ n \ n P ar t B : ” )
19   a = 3.57 / / l a t t i c e p a r a m e t e r i n a n g st r o m
20   d = m * 1 . 66 e - 2 7 * N / ( a *1 e - 1 0 ) ^ 3
21   printf ( ” \ n D e n s i t y o f d ia mo nd i s %d Kg/mˆ 3 ” ,d) //
n u me r ic a l a ns we r i n book i s 3 50 0
22   printf ( ” \ n D e n si t y o f diamond i s %. 1 f g /cmˆ3 ” ,d
/1000)

Scilab code Exa 5.3  Calculate the cation to anion ratio for an ideally close
packed HCP crystal

1   / / c a l c u l a t e t h e c /a r a t i o f o r an i d e a l l y c l o s e
p a ck e d HCP c r y s t a l
2 clc
3 a = 1   // l e t
4   PR = a
5   printf ( ” \ E xa m pl e 5 . 3 ” )
6   R T = a/ sqrt (3)
7 PT =   sqrt (PR^2-RT^2)
8 c _a = 2* P T/ PR
9   / / C a l cu l a t i o n s a re made o n t h e c r y s t a l s t r u c t u r e
d ra wn i n b oo k
10   printf ( ” \ n c / a r a t i o f o r an i d e a l l y c l o s e p a c k ed HCP
c r y s t a l i s %0 . 3 f ” ,c_a)

Scilab code Exa 5.4  find the size of largest sphere that can fit into a tetra-
hedral void

17
1   / / f i n d t h e s i z e o f l a r g e s t s ph er e t ha t can f i t i nt o
a t e t r a h e d r a l v oi d
2 clc
3 r = 1   // l e t
4   a = 3/4
5   printf ( ” \ n E xa mp le 5 . 4 ” )
6   p t = 2* sqrt (2/3)*r
7 s = a *pt - r // s i z e o f s ph er e
8   printf ( ” \ n S i z e o f l a r g e s t s ph er e t h at ca n f i t i nt o
a t e t r a h e d r a l v oi d i s %. 3 f r ” ,s )

Scilab code Exa 5.5 Find critical radius ratio for triangular coordination

1 // f i n d c r i t i c a l r a d iu s r a t i o f o r t r i a n g u l a r
coordination
2 clc
3 t he ta = 60   // a n g l e i n d eg r e e
4   printf ( ” \ n E xa mp le 5 . 5 ” )
5   r _ c _a = ( 2/ 3 *2 * sin (theta*%pi/180))-1   // r a t i o
calculation
6   printf ( ” \ n C r i t i c a l r a d i u s r a t i o f o r t r i a n g u l a r
c o o r d i n a t i o n i s %0 . 3 f ” ,r_c_a)

Scilab code Exa 5.6   Calculate density of MgO

1   / / C a l c u l a te d e n s i t y o f MgO
2 clc
3 r _m g = 0 .7 8   // r a d i u s o f magnesium c a t i o n i n
angstrom

18
 4   r _o = 1 .3 2   // r a d i u s o f o xyg en a ni on i n a ng st ro m
5 n = 4 // e f f e c t i v e number o f u n it c e l l
6   m _o = 16   // mass o f o xy ge n
7 m _m g = 2 4. 3   / / m as s o f m ag ne si um
8   printf ( ” \ n E xa mp le 5 . 6 ” )
9 a = 2 *( r _m g + r_ o ) / / l a t t i c e p a r a m e t e r
10   d = ( m _ o + m _m g ) * 1 . 66 e - 2 7 * n / ( a * 1 e - 10 ) ^ 3 // d e n s i t y
11   printf ( ” \ n D e n s i t y o f MgO i s %d Kg /mˆ 3 ” ,d)   / / a n sw er
i s 3 6 10 k g /mˆ 3
12   printf ( ” \ n D e n s i t y o f MgO i s %0 . 2 f g /cm ˆ3 ” ,d/1000)

19
 Chapter 6

Crystal Imperfection

Scilab code Exa 6.1 Find equilibrium concentration of vacancies in metals

at given temperature

1   // F ind e q u i l i b r i u m c o n c en t r a ti o n o f v a c a n c i es i n
m et a ls a t g i v en t em p er a tu re
2 clc
3   t 1 = 0   // t em pe ra tu re i n k e l v i n
4   t 2 = 300   // t em pe ra tu re i n k e l v i n
5   t 3 = 900 // t em pe ra tu re i n k e l v i n
6   R = 8. 31 4   // u n i v e r s a l g as c o n s t a n t
7   d e l _h f _a l = 6 8   // E nt ha lp y o f f o r m a ti o n o f a lu mi ni um
c r y s t a l i n KJ
8   d e l _ hf _ ni = 1 68   // E n th a lp y o f f o r m a t io n o f n i c k e l
c r y s t a l i n KJ
9   printf ( ” \ n E xa mp le 6 . 1 ” )
10
11   printf ( ” \ n E q u il i br i um c o n c e n t r a t i o n o f v a c a n c i es o f  
a lu mi ni um a t %dK i s 0 ” ,t1)
12   n _N = exp (-del_hf_al*1e3/(R*t2))
13   printf ( ” \ n E q u il i br i um c o n c e n t r a t i o n o f v a c a n c i es o f  
a l um i ni u m a t %dK i s %. 2 e ” ,t2,n_N)   // a ns we r i n
book i s 1 . 4 5 e −12
14   n _N = exp (-del_hf_al*1e3/(R*t3))

20
15   printf ( ” \ n E q u il i br i um c o n c e n t r a t i o n o f v a c a n c i es o f  
a l um i ni u m a t %dK i s %. 2 e ” ,t3,n_N)   // a ns we r i n
book i s 1 . 1 2 e −4
16
17   printf ( ” \ n \ n E q u i li b ri u m c o n c en t r a ti o n o f v a c a n c i es
o f N i ck e l a t %dK i s 0 ” ,t1)
18   n _N = exp (-del_hf_ni*1e3/(R*t2))
19   printf ( ” \ n E q u il i br i um c o n c e n t r a t i o n o f v a c a n c i es o f  
N i c k e l a t %dK i s %. 2 e ” ,t2,n_N)
20   n _N = exp (-del_hf_ni*1e3/(R*t3))
21   printf ( ” \ n E q u il i br i um c o n c e n t r a t i o n o f v a c a n c i es o f  
N i c k e l a t %dK i s %. 2 e ” ,t3,n_N)   // a ns we r i n bo ok
i s 1 . 78 e −10

Scilab code Exa 6.2  Compute the line energy of dislocation

1   / / Compute t he l i n e e ne rg y o f d i s l o c a t i o n
2 clc
3   a = 2.87 / / l a t t i c e p a r a m e t e r i n a n g st r o m
4   b = 2 .4 9   // m ag ni tu de o f b u r g er s v e c t o r i n a ng st ro m
5   G = 80.2   / / s h e a r m od ul us i n GN
6   printf ( ” \ n E xa mp le 6 . 2 ” )
7 E = G * 1 e9 * ( b *1 e - 10 ) ^ 2 *1 /2
8   printf ( ” \ n L i ne e ne rg y o f d i s l o c a t i o n i s %. 2 e J mˆ −1
” ,E)

Scilab code Exa 6.4  Calculation of down climb of crystal on heating

1   // c a l c u l a t i o n o f down c l im b o f c r y s t a l on h e a t i n g

21
 2 clc
3   a = 1 e10 // t o t a l number o f e dg e d i s l o c a t i o n
4   N = 6 .0 23 e 23   / / A v o g ad r o n um be r
5   R = 8. 31 4   // U n i ve r s a l g as c o ns t an t
6   t 1 = 0 / / i n i t i a l t e m p e r a tu r e i n K
7   t 2 = 10 00   / / F i na l t em pe ra tu re i n K
8 d el _h f = 1 00   // E nt ha lp y o f v ac an cy f o rm a t io n i n KJ
9 d = 2   // l e n g t h o f one s t ep i n a ng st r o m
10   v = 5.5 e -6   // vo lume o f one mole c r y s t a l
11   printf ( ” \ n E xa mp le 6 . 4 ” )
12   n = N * exp (-(del_hf*1e3)/(R*(t2-t1)))/v
13 k = 1 /( d *1 e - 10 )   // atoms r e q u i r e d f o r 1 m c l im b
14   b = n /( k* a) / / a v e ra g e amount o f c l im b
15   c = b *d *1 e -1 0
16
17   printf ( ” \ n A ver ag e down c li mb o f c r y s t a l i s %. 2 em” ,c
)

Scilab code Exa 6.5  Calculate surface energy of copper crystal of type 111

1   // C a lc u l a te s u r f a c e e ne rg y o f c o pp er c r y s t a l o f  
type {111}
2 clc
3  E = 56.4   // bond e n er g y i n KJ
4   N_a = 6 .0 23 e 2 3 // A v o g a d r o s number
5  n = 1 2   / / number o f b on ds
6 m = 3   // number o f b r ok e n b on ds
7 N = 1 .7 7 e19   // number o f atoms i n c op pe r c r y s t a l of 
type {111}   per mˆ2
8  printf ( ” \ n E xa mp le 6 . 5 ” )
9 b _e = 1 /2 * E *1 e 3 * n/ N _a   // bond e n e r g y p e r atom
10   e _ b = b _e * m/ n   // e ne rg y o f b ro ke n bond a t s u r f a c e
11   s _e = e _b * N // s u r f a c e e nt ha l p y o f c op pe r

22
12   printf ( ” \ n S u r f a ce e nt ha l p y o f c op pe r i s %0 . 2 f J m
ˆ−2” ,s_e)
13   printf ( ” \ n S u r f a ce e nt ha l p y o f c op pe r i s %d e r g cm
ˆ−2” ,s_e*1e3)
14   / / A nswer i n b oo k i s 2 49 0 e r g cmˆ −2

Scilab code Exa 6.6   Compute the angle at the bottom of groove of a
boundary

1   / / Compute t he a n g l e a t t he bottom o f g r oo ve o f a
boundary
2 clc
3   G a m ma _g b = 1   // l e t , e ne rg y o f g r a i n b ou n da ry
4   G a m ma _ s = 3 * G a mm a _g b // e n e r g y o f f r e e s u r f a c e
5   printf ( ” \ n E xa mp le 6 . 6 ” )
6 t he ta = 2* acos (1/2*Gamma_gb/Gamma_s)
7   printf ( ” \ n A ng le a t t he bottom o f g ro ov e o f a
b ou nd ar y i s %d d e g r e e s . ” , ceil (theta*180/%pi))

23
 Chapter 7

Phase Diagram

Scilab code Exa 7.1  Find degrees of freedom of a system of two compo-
nents

1   / / F ind d e g re e s o f f re ed om o f a s ys te m o f two
components
2 clc
3 c = 2   / / nu mber o f c o mp o ne n ts
4   printf ( ” \ n E xa mp le 7 . 1 ” )
5 for   n = 1 : 4
6 p = (c -1) +2   // T ot a l v a r i a b l e s
7 f = c -n +2   // d e gr e e o f f re ed om
8   printf ( ” \ n \ n D e gr ee o f f re ed om f o r two
c o m p o n e n t s wh en \ n n umber o f p ha se s i s %d i s
%d” ,n,f)
9 end

Scilab code Exa 7.2  Find minimum number of component in system

24
1 / / F in d minimum n um ber o f c om po ne nt i n s y s t em
2 clc
3 p = 4   // number o f p h a se s o f s ys te m
4 f = 0   // number o f d e g re e o f s ys te m
5
6   printf ( ” \ n E xa mp le 7 . 2 ” )
7   C = f +p -1   / / c o m po n e n ts n um ber
8   printf ( ” \ n Minimum n umber o f c o mp o ne n ts i n s y s te m i s
%d” ,C)

Scilab code Exa 7.3 Calculate amount of pure water that can be extracted
from sea water

1   / / C a l c u l a te amount o f p ur e w at er t h at ca n b e
e x t r a c t ed from s e a w at er
2 clc
3   L = 23.3   / / % c o m po s i t io n o f L
4   a = 3.5   // c o n c e n t r a t i o n o f N a c l i n s ea w a te r
5 ice = 0   // % co m p o si t i o n o f i c e
6   printf ( ” \ n E xa mp le 7 . 3 ” )
7 f _i ce = ( L - a) / (L - i ce )
8   printf ( ” \ n F r a c t i o n a l amount o f p ur e w at er t h at ca n
be e x t r a c t ed fro m s e a w at er i s %0 . 2 f ” ,f_ice)

Scilab code Exa 7.5  Calculate proeutectoid ferrite and eutectoid ferrite in
6 tenth percent steel

1 // Calculate proeutec toid f e r r i t e and e u t e c t o i d

f e r r i t e in 0.6% st ee l

25
 2 clc
3 a = 0 // l i m i t i n g v al ue
4   b = 0.8   // l i m i t i n g v al ue
5   c = 0.6   // p e r ce n t a ge c o mp o s it i on o f c ar bo n
6   f = 0.88 // f r a c t i o n o f f e r r i t e i n a e u t e c t o i d s t e e l
7   printf ( ” \ n E xa mp le 7 . 5 ” )
8   f _ p r o _a l p ha = ( b - c ) /( b - a )
9 f _p er li te = 1 - f _p ro _a lp ha
10 f _e ut = f * f _ pe r li t e
11   printf ( ” \ n C om p os i ti o n o f p r o e u t e c t o i d f e r r i t e i s %0
. 2 f ” ,f_pro_alpha)
12   printf ( ” \ n C om p os i ti o n o f e u t e c t o i d f e r r i t e i s %0 . 2 f  
” ,f_eut)

26
 Chapter 8

Diffusion in Solids

Scilab code Exa 8.1 Calculate the rate at which hydrogen escapes through
the walls of the steel tank

1   / / c a l c u l a t e t he r a t e a t whi ch h y dr og en e s c a p e s
t h r o ug h t h e w a l l s o f t h e s t e e l t a n k
2 clc
3 t = 5   // t h i c k n e s s i n mm
4   c = 1 0   // c o n c e n t r a t i o n
5   D = 1e -9 / / d i f f u s i o n c o e f f i c i e n t
6   printf ( ” \ n E xa mp le 8 . 1 ” )
7   j = D *c /( t*1 e -3)
8   printf ( ” \ n Outward f l u x i s %. 0 e kg mˆ −2 s ˆ−1” ,j)

Scilab code Exa 8.2  Calculate maximum time till which material can be
kept at 550 degree Celsius

1 / / C a l c u l a t e maximum t i me t i l l w hi ch m a t e r i a l c an b e
k ep t a t 5 5 0 d e g r e e C e l s i u s
2 clc

27
 3 D _0 = 0 .2 4e - 4 / / d i f f u s i o n c o e f f i c i e n t
4   Q = 121 e3
5   R = 8. 31 4 // U n i ve r s a l g as c o ns t an t
6   T = 550   // t em pe ra tu re i n C e l s i u s
7   k = 0.2   // t h i c k n e s s o f p ur e Al s h e e t i n mm
8   d = 0.1   // p e n e t r a t i o n d ep th i n mm
9   c _x = 0.4   // c o n c e n t r a t i o n i n p e rc e n t ag e
10 A = 2   // C on st an t i n p e r ce n t ag e
11 B = 2 // C on st an t i n p e r ce n t ag e
12   printf ( ” \ n E xa mp le 8 . 2 ” )
13 x = d -k
14 D _c u_ al = D _0 * exp (-Q/(R*(T+273)))
15   k = ( A- c _x ) / B
16 if   k = =0 .8   then
17 z = 0.9   // fro m t a b l e
18 end
19   t = ( x * 1 e - 3) ^ 2 / ( z ^ 2 * 4* D _ c u_ a l ) // t i m e i n s e c
20
21   printf ( ” \ n M a te r ia l can be k ep t a t %d d e g re e C e l s i u s
f o r n e a r l y %d m in ut e ” ,T,t/60) // a ns we r i n b oo k
i s 1 00 min

Scilab code Exa 8.3 Calculate minimum depth up to which post machin-
ing is to be done

1   / / C a l c u l a t e minimum d ep t h u p t o w hi ch p o s t
m ac hi ni ng i s t o be done
2 clc
3   D _ 0 = 0 .7 e -4 / / d i f f u s i o n c o e f f i c i e n t
4   Q = 157   // E ne rg y i n kJ mol ˆ − 1 , c o n s i d e r e d fro m
t a b le 8 .2
5   R = 8. 31 4 // U n i ve r s a l g as c o ns t an t
6   T = 950   // t em pe ra tu re i n C e l s i u s

28
 7   c 2 = 0.8   // c o n c e n t r a t i o n i n p e rc e nt a g e
8   c s = 0   // c o n c en t r a ti o n i n p e rc e n t ag e
9   c _x = 0.6 // c o n c e n t r a t i o n i n p e rc e nt a g e
10 t = 4   // t i me i n h ou rs
11 a = 1 // le t
12   printf ( ” \ n E xa mp le 8 . 3 ” )
13   A = cs
14   B = c2 - cs
15   D = D_0 *exp (-Q*1e3/(R*(T+273)))
16 k = erf (((A-c_x)/B))*-1
17 if   k > 0. 7   then
18 if   k<0.712   then
19 z = 0.81   // fro m t a b l e
20 end
21
22 end
23   x = z *2* sqrt (D*t*3600)
24
25   printf ( ” \ n D epth up t o wh ich m ac hi ni ng i s required
i s n e a r l y %. 2 f mm” ,x*1e3)
26   // n u m er i c al v a l u e o f a ns we r i n book i s 0 . 75

Scilab code Exa 8.4   Calculate time required to get required boron con-
centration

1   // C a l cu l a te t i me r e q u i r e d t o g et r e q u i r e d b o ro n
concentration
2 clc
3   D = 4e -17 / / d i f f u s i o n c o e f f i c i e n t
4   c1 = 0
5 cs = 3 e26
6 c_x = 1 e23   / / nu mber o f a to ms
7   x = 2e -6   // d e p t h i n m

29
 8   printf ( ” \ n E xa mp le 8 . 4 ” )
9   A = cs
10   B = cs - c1
11   k = ( A- c _x ) / B
12 if   k > 0 .9 9 96 6   then
13 if   k < 0 .9 9 97   then
14 z = 2.55   // fro m t a b l e
15 end
16 end
17   t = x ^ 2/ ( z ^ 2* 4* D ) // t i m e i n s e c
18
19   printf ( ” \ n Time r e q u i r e d t o g et r e q u i r e d b or o n
c o n c e n t r a t i o n i s %d s e c ” ,t) // a ns we r i n book i s
3 84 5 s e c

Scilab code Exa 8.5  Calculate ratio of cross sectional areas

1   // C a l c u l a t e r a t i o o f c r o s s s e c t i o n a l a r e a s
2 clc
3   r = 1 0   // r a d i u s i n mm
4 t = 4   // t h i c k n e s s i n a n gs tr o m
5   printf ( ” \ n E xa mp le 8 . 5 ” )
6   r = 2 * % pi * r * 1 e - 3 * t *1 e - 1 0 / ( % pi * ( r * 1 e - 3 ) ^ 2)
7   printf ( ” \ n R a t i o o f c r o s s s e c t i o n a l a r e a s i s %. 0 e ” ,
r)

30
 Chapter 9

Phase Transformation

Scilab code Exa 9.1  Calculate the critical free energy of nucleation of ice
from water and critical radius

1 // C a l c u l a te t he c r i t i c a l f r e e e ne rg y o f n u c l e a t i o n
o f i c e f ro m w a te r and c r i t i c a l r a d i u s
2 clc
3 d el _t 1 = 0 // t em pe ra tu re d i f f e r e n c e i n d e gr e e
Celsius
4   d e l_ t2 = -5 // t em pe ra tu re d i f f e r e n c e i n d e g r ee
Celsius
5 d el _t 3 = -40 // t em pe ra tu re d i f f e r e n c e i n d eg re e
Celsius
6 d el _h = 6 .0 2   // e nt ha l p y o f f u s i o n i n kJ /mol
7   T _m = 273   / / mean t e m p e r a t u r e
8 G am ma = 0 .0 76   // e n er g y o f i c e w a t e r i n t e r f a c e in J
/mˆ2
9   v = 1 9   // m ol ar volume o f i c e
10   printf ( ” \ n E xa mp le 9 . 1 ” )
11   printf ( ” \ n P a rt A” )
12   printf ( ” \ n At d e l t = %d , t h er e i s no s u p e r c o o l i n g .
So t h e r e i s no c r i t i c a l r a d i u s ” ,del_t1)
13   printf ( ” \ n \ n P ar t B” )
14 d e l_ f = 1 6 /3 * % p i * ( G a mm a ) ^ 3 * T _m ^ 2 / ( ( d e l _h * 1 e 3 * 1 e 6 / v )

31
 ^2*del_t2^2)
15   r = 2 * T _m * G a m m a / ( - d e l_ h * 1 e 3 * 1 e 6 / v* d e l _ t2 )
16   printf ( ” \ n C r i t i c a l f r e e e n e r g y o f n u c l e a t i o n i s %. 1
eJ ” ,del_f)
17   printf ( ” \ n C r i t i c a l r a d i u s i s %d a ng s t r o m ” , ceil (r*1
e10))
18   printf ( ” \ n \ n P ar t C” )
19   t e m p _r = d e l_ t 3 / d e l _t 2
20   d e l _ f_ = d e l_ f / t e m p _r ^ 2
21   r _ = r / te mp _r
22
23   printf ( ” \ n C r i t i c a l f r e e e n e r g y o f n u c l e a t i o n i s %
. 1 e J ” ,del_f_)
24   printf ( ” \ n C r i t i c a l r a d i us i s %d a ng st r o m . ” ,   ceil ( r_
*1e10))

Scilab code Exa 9.2   Calculate the change in delta f required to increase
nucleation rate

1   // C a lc u l a te t h e c ha n g e i n d e l f r e qu i r e d t o
i n c r ea s e n u cl e at i on r a te
2 clc
3   T = 3 00   // t em pe ra tu re i n k e l v i n
4   R = 8. 31 4   // u n i v e r s a l g as c o n s t a n t
5   k = 2. 30 3   // c o nv e r s i o n f a c t o r
6 a1 = 1 e42
7 a2 = 1 e6   // n u c l e a t i o n r a t e
8 a3 = 1 e10   // n u c l e a t i o n r a t e
9   printf ( ” E x a mp l e 9 . 2 ” )
10   I 1 = ( log10 ( a 1 ) - log10 (a2))*k*R*T   // e xp on en t f a c t o r
11   I 2 = ( log10 ( a 1 ) - log10 (a3))*k*R*T // e xp on en t f a c t o r
12 d el _f = I1 - I 2   // d i f f e r e n c e
13   a = 10^( log10 ( a 3 ) - log10 ( a 2 ) )

32
14
15   printf ( ” \ n A c ha ng e o f %d KJ m olˆ −1 e n er gy i s
r e q u i r e d t o i n c r e a s e n u c l e a t i o n f a c t o r fro m \ n %
. 0 e mˆ −3 s ˆ−1 t o %. 0 e mˆ −3 s ˆ −1 ” , ceil (del_f/1
e3),a,a3)

Scilab code Exa 9.4   Calculate delta f of heterogeneous as a fraction of 

delta f of homogeneous

1   / / C a l cu l a te d e l f h e t a s a f r a c t i o n o f d el f h o mo
2 clc
3 G a mm a _a l ph a _d e l = 0 .5   // i n J mˆ −2
4   G a m m a _ a lp h a _ be t a = 0 .5   / / i n J mˆ −2
5   G a m m a _ be t a _ de l = 0 . 01   / / i n J mˆ −2
6
7   printf ( ” \ n E xa mp le 9 . 4 ” )
8   t h et a =   acos ( ( G a m m a _ al p h a _ de l - G a m m a _b e t a _d e l ) /
Gamma_alpha_beta)
9   d e l _ f _ ra t i o = 1 / 4* ( 2 - 3 * cos (theta)+( cos (theta))^3)
10
11
12   printf ( ” \ n d e l f h e t i s %0 . 4 f th f r a c t i o n o f  
d e l f h o m o . ” ,del_f_ratio)

Scilab code Exa 9.6  Calculate the free energy change during recrystalliza-
tion

1   / / C a l cu l a te t he f r e e e ne rg y c h a ng e d ur in g
recrystallization

33
 2 clc
3   m u = 4 5. 5 e9
4   b = 2 .5 5 e -1 0
5 n1 = 1 e9 // i n i t i a l d i s l o c a t i o n d e n s i t y
6 n2 = 1 e13   // f i n a l d i s l o c a t i o n d en s i ty
7   printf ( ” \ n E xa mp le 9 . 6 ” )
8   E = 1 /2 * m u *b ^ 2* n 2
9 del_g = E // a s d i f f e r e n c e b et wee n i n i t i a l and f i n a l
d i s l o c a t i o n e ne rg y i s f o u r o r de r m a gn i t u d e
10   printf ( ” \ n F re e e ne rg y c ha ng e d u ri n g
r e c r y s t a l l i z a t i o n i s %d J mˆ −3” ,-del_g)
11   // N um er ic al v a lu e o f a ns we r i n book i s 1 48 00

34
 Chapter 10

Elastic Anelastic and

Viscoelastic Behaviour

Scilab code Exa 10.1   Estimate Youngs modulus of material

1 // E st im at e y o u n g s modulus o f m a t e r i a l
2 clc
3 n = 1
4 m = 9
5   A = 7 .6 8 e -2 9   // C on st an t h av in g u n i t J m
6 r _0 = 2 .5 e -1 0   // b on di n g d i s t a n ce i n m
7   printf ( ” \ n E xa mp le 1 0 . 1 ” )
8   B = A * r_ 0 ^8 /9
9
10   Y = ( 9 0* B / ( r _ 0 ) ^ 1 1 - 2* A / ( r _ 0 ) ^ 3) / r _ 0
11
12   printf ( ” \ n Y o u n g s modulus o f m a t e r i a l i s %d GN m
ˆ−2” ,Y/1e9)

35
 Scilab code Exa 10.2  Calculation of stress in fibers

1   // C a l c u l a t i o n o f s t r e s s i n f i b e r s
2 clc
3   Y _f = 440
4   Y _m = 71
5   s i g m a _ t ot a l = 1 0 0   // t o t a l l oa d
6   printf ( ” \ n E xa mp le 1 0 . 2 ” )
7 r = Y_f / Y_m
8   s i g m a _ f = r * ( s i g m a _t o t al / 0 .7 ) / ( 1 + r * 3 /7 )
9   printf ( ” \ n P a rt A : ” )
10   printf ( ” \ n When l o a d i s a p p l i e d p a r a l l e l t o f i b e r
th en , s t r e s s i n f i b e r i s %d MN mˆ −2” ,sigma_f)
11
12   printf ( ” \ n \ n P ar t B : ” )
13   printf ( ” \ n When l o a d i s a p p li e d p e r p en d i c u l a r t o
f i b e r then , s t r e s s i n f i b e r and m a tr ix i s same i .
e . %d MN mˆ −2” ,sigma_total)

Scilab code Exa 10.3   Estimate diffusion coefficient

1 // Estimate d i ff u si o n coefficient
2 clc
3   t _r = 100   // r e l a x a t i o n t i m e i n s
4   d = 2.5   // d i s t a n c e i n a ng st ro m
5   printf ( ” \ n E xa mp le 1 0 . 3 ” )
6   f = 1/ t_r   / / j ump f r e q u e n c y
7   D = ( d *1 e - 10 ) ^ 2* f
8   printf ( ” \ n D i f f u s i o n c o e f f i c i e n t i s %. 2 e mˆ 2 s ˆ −1” ,D
)

36
 Chapter 11

Plastic Deformation and Creep

in Crystalline Materials

Scilab code Exa 11.2 Calculate the stress required to move the dislocation
at given temperature

1   / / C a lc u l a te t h e s t r e s s r e q u i r e d t o move t h e
d i s l o c a t i o n a t g i v en t em pe ra tu re
2 clc
3 b = 2   // b u rg e r v e c t o r i n a ng st ro m
4   v = 20* b ^3   // a c t i v a t i o n volume
5   t a u _p n = 1 00 0 // P−N s t r e s s o f c r y s t a l i n MNmˆ −2
6   k = 1 .3 8 e -2 3   // p h y s i c a l c o ns t an t
7   t 1 = 0   // t em p er at u re i n K
8   t 2 = 100 // t em p er a tu re i n K
9   t 3 = 300 // t em p er a tu re i n K
10   t 4 = 500 // t em p er a tu re i n K
11   printf ( ” \ n E xa mp le 1 1 . 2 ” )
12   printf ( ” \ n \ n P a rt A : ” )
13   T = t1
14 t a u_ a pp = t au _ pn - 4 0* k * T /( v * 1e - 3 0)
15   printf ( ” \ n The s t r e s s r e q u i r e d t o move t he
d i s l o c a t i o n a t t e m p e r a t u r e %dK i s %d MNmˆ −2” ,T ,
tau_app)

37
16   printf ( ” \ n \ n P ar t B : ” )
17   T = t2
18 t a u_ a pp = t au _ pn - 4 0* k * T /( v * 1e - 3 0* 1 e 6 )
19   printf ( ” \ n The s t r e s s r e q u i r e d t o move t he
d i s l o c a t i o n a t t e m p e r a t u r e %dK i s %d MNmˆ −2” ,T ,
tau_app)
20   printf ( ” \ n \ n P a rt C : ” )
21   T = t3
22 t a u_ a pp = t au _ pn - 4 0* k * T /( v * 1e - 3 0* 1 e 6 )
23 if tau_app <0   then
24   printf ( ” \ n S t r e s s t o be a p p l i e d i s z er o ” )
25   printf ( ” \ n The s t r e s s r e q u i r e d t o move t he
d i s l o c a t i o n a t t em pe ra tu re %dK e n t i r e l y
o ve rc om e by t h er m al f l u c t u a t i o n s ” , T )
26 end
27   printf ( ” \ n \ n P a rt D : ” )
28   T = t4
29 t a u_ a pp = t au _ pn - 4 0* k * T /( v * 1e - 3 0* 1 e 6 )
30 if tau_app <0   then
31   printf ( ” \ n S t r e s s t o be a p p l i e d i s z er o ” )
32   printf ( ” \ n The s t r e s s r e q u i r e d t o move t he
d i s l o c a t i o n a t t em pe ra tu re %dK e n t i r e l y
o ve rc om e by t h er m al f l u c t u a t i o n s ” , T )
33 end

Scilab code Exa 11.3  Calculate the dislocation density in copper

1   // C a lc u l a te t h e d i s l o c a t i o n d e n s i t y i n c o pp er
2 clc
3   m u = 44   / / s h e a r m od ul us o f c o pp e r i n GN mˆ −2
4   b = 2.55   // b u r g er s v e c t o r i n a ng st ro m
5   t au = 35   // s h e ar s t r e s s i n MN mˆ −2
6   printf ( ” E xa mp le 1 1 . 3 ” )

38
 7 l = m u *1 e 9 * b *1 e - 1 0/ ( t au * 1 e6 )
8   r ho = 1/ l ^2
9
10   printf ( ” \ n D i s l o c a t i o n d e n s i t y i n c o pp e r i s %. 1 e m
ˆ−2” ,rho)
11   / / Answer i n b oo k i s 1 e 1 2 mˆ −2

Scilab code Exa 11.4  Find the yield stress for a grain size of ASTM 9

1   // Find t h e y i e l d s t r e s s f o r a g r a i n s i z e o f ASTM 9
2 clc
3 s ig ma 1 = 1 20 // i n i t i a l y i e l d s t r e n g t h o f m a t e r i a l
i n MNmˆ −2
4 s ig ma 2 = 2 20   // F in a l y i el d s tr en gt h o f m at er ia l i n
MN mˆ−2
5   d 1 = 0. 04 / / i n i t i a l d i a m e t e r i n mm
6   d 2 = 0. 01   // f i n a l d ia me te r i n mm
7 n = 9   / / a st m n um be r
8   printf ( ” E xa mp le 1 1 . 4 ” )
9 k = ( s i gm a2 - s i g m a1 ) * 1 e 6 / ( 1 / sqrt (d2*1e-3)-1/ sqrt (d1*1
e-3))
10   s i g ma _ i = s ig m a1 * 1 e 6 - k / sqrt ((d1*1e-3))
11   d = 1 / sqrt (2^(n-1)*1e4/645)
12   s i g m a _y = s i g ma _ i + k * ( d * 1e - 3 ) ^ ( - 0 . 5)
13
14   printf ( ” \ n Y ie ld s t r e s s f o r a g r a i n s i z e o f ASTM 9
i s %d MN mˆ −2” , ceil (sigma_y/1e6))

Scilab code Exa 11.5  Estimate the change in yield strength

39
1   / / E st im at e t he c ha ng e i n y i e l d s t r en g t h
2 clc
3 n1 = 1 e6 // i n i t i a l number o f p a r t i c l e s
4 n2 = 1 e3   // f i n a l number o f p a r t i c l e
5   printf ( ” \ n E xa mp le 1 1 . 5 ” )
6   k = ( n 1 / n2 ) ^ ( 1/ 3)
7   printf ( ” \ n Y i e l d s t r en g t h would ha ve d e cr e as e d t o
%d%% o f i t s i n i t i a l v a l u e . ”  ,100/k)

40
 Chapter 12

Fracture

Scilab code Exa 12.1   Estimate fracture strength

1   / / E st im at e f r a c t u r e s t r en g t h
2 clc
3 c = 2   // c ra ck o f h a l f l e n g t h i n m i c r o m e te r
4   Y = 7 0 / / y o u n g s m od ul us i n GN mˆ −2
5 Gamma = 1 / / s p e c i f i c s u r f a c e e n e r g y
6   printf ( ” \ n E xa mp le 1 2 . 1 ” )
7   s i g ma _ f =   sqrt (2*Gamma*Y*1e9/(%pi*c*1e-6))/1e6
8   r = Y * 1 e3 / s i gm a _f
9   printf ( ” \ n F r a c t u r e s t r e n g t h o f %d MN mˆ −2 i s 1 /%dth
o f y o u n g s m od ul us . ” , ceil ( s i g m a _ f ) , ceil ( r
/100)*100)
10   printf ( ” \ n Thus G r i f f i t h s c r i t e r i o n b r i d g e s t h e gap
b e tw e en t h e \ n o bs er ve d a nd i d e a l s t r en g t h s o f  
b r i t t l e ma te ri al ” )

Scilab code Exa 12.2   Estimate the brittle fracture strength at low tem-
peratures

41
1 // E st im at e t he b r i t t l e f r a c t u r e s t r e n g t h a t lo w
temperatures
2 clc
3   G a mm a = 1 .5 / / s p e c i f i c s u r f a c e e n e r g y i n J /mˆ 2
4   Y = 200 / / Y o u n g s m o du l us i n GN/mˆ 2
5 c = 2   // h a l f l e n g t h o f c ra ck
6
7   printf ( ” \ n E xa mp le 1 2 . 2 ” )
8   s i g ma _ f =   sqrt (2*Gamma*Y*1e9/(%pi*c*1e-6))
9
10   printf ( ” \ n B r i t t l e f r a c t u r e s t r e n g t h a t lo w
t e m p e r a t u r e s i s %d MNmˆ −2 ” ,sigma_f/1e6) / / a n sw er
in book i s 310MNmˆ−2

Scilab code Exa 12.3  Estimate the temperature at which the ductility of 
brittle transition occurs at given strain rates

1   / / E st im at e t he t em pe ra tu re a t wh i ch t he duct ili ty
o f b r i t t l e t r a n s i t i o n o c cu r s a t g i ve n s t r a i n
rates
2 clc
3 Gamma = 2 / / s p e c i f i c s u r f a c e e n e r g y i n J /mˆ 2
4   Y = 350 / / Y o u n g s m o du l us i n GN/mˆ 2
5 c = 2   // h a l f l e n g t h o f c ra ck
6 d e_ dt 1 = 1 e -2   // s t r a i n r a t e
7 d e_ dt 2 = 1 e -5   // s t r a i n r a t e
8   printf ( ” \ n E xa mp le 1 2 . 3 ” )
9   printf ( ” \ n P a rt A : ” )
10   s i g ma _ f =   sqrt (2*Gamma*Y*1e9/(%pi*c*1e-6))
11 s i gm a _y = s i gm a _f / 1 e 6
12 T = 1 7 3 60 0 / ( s i gm a _y - 2 0. 6 - 6 1 . 3* log10 (de_dt1)) //
t em p er a tu r e c a l c u l a t i o n
13

42
14   printf ( ” \ n T r a n s i t io n t em pe ra tu re f o r s t r a i n r a t e %
. 0 e s ˆ−1 i s %d K” ,de_dt1 ,T) // a ns we r i n book i s
300 K
15   printf ( ” \ n \ n P ar t B : ” )
16
17 T = 1 7 3 60 0 / ( s i gm a _y - 2 0. 6 - 6 1 . 3* log10 (de_dt2)) //
t em p er a tu r e c a l c u l a t i o n
18
19   printf ( ” \ n T r a n s i t io n t em pe ra tu re f o r s t r a i n r a t e %
. 0 e s ˆ−1 i s %d K” ,de_dt2 ,T) // a ns we r i n book i s
230 K
20   // S o l u t io n i n b ook f o r two p a rt s i s d i v i d e d i n t o
t h re e p a rt s

43
 Chapter 13

Oxidation and Corrosion

Scilab code Exa 13.2  Calculation of required quantity of magnesium

1   // C a l c u l a t i o n o f r e q u i r e d q u a nt i t y o f magnesium
2 clc
3   j = 1 5   // c u r r e n t d e n s i t y i n mA mˆ −2
4   m = 0 .0 24 3   / / m o la r m as s o f m ag ne si um
5   F = 96 49 0   // f a ra d c ha rg e
6 n = 2   // c ha r g e on i o n
7   t = 1 0   // t i m e i n y ea r s
8   printf ( ” \ n E xa mp le 1 3 . 2 ” )
9   a = m * j * 1 e - 3* ( t * 3 6 5 * 2 4* 3 6 0 0) / ( n * F )
10   printf ( ” \ n A mount o f ma gn es iu m r e q u i r e d i s %0 . 1 f kg
mˆ −2” ,a )

44
 Chapter 14

Conductors and Resistors

Scilab code Exa 14.1  Calculate energy difference

1   / / C a lc u l a te e ne rg y d i f f e r e n c e
2 clc
3   n _x1 = 1   // a to mi c l e v e l
4   n _y1 = 1 // a to mi c l e v e l
5   n _z1 = 1 // a to mi c l e v e l
6   n _x2 = 2 // a to mi c l e v e l
7   L = 1 0 / / l a t t i c e p a r a m e t e r i n mm
8   h = 6 .6 26 e - 34   // p la nk c o n st a n t
9   m _ e = 9 .1 09 e - 31   // mass o f e l e c t r o n i n kg
10   printf ( ” \ n E xa mp le 1 4 . 1 ” )
11 E 1 = h ^ 2 * ( n _ x1 ^ 2 + n _ y 1 ^ 2 + n _z 1 ^ 2 ) / ( 8* m _ e * ( L * 1 e - 3) ^ 2 )
12 E 2 = h ^ 2 * ( n _ x2 ^ 2 + n _ y 1 ^ 2 + n _z 1 ^ 2 ) / ( 8* m _ e * ( L * 1 e - 3) ^ 2 )
13   E = E2 - E1   // e ne rg y d i f f e r e n c e
14   printf ( ” \ n En ergy d i f f e r e n c e i s %. 2 e J ” ,E )

Scilab code Exa 14.2  Calculate conductivity of copper at 300 K

45
 1   / / C a lc u l a te c o n d u c t i v i t y o f c op pe r a t 30 0 K
2 clc
3   t au = 2 e -1 4 // c o l l i s i o n t im e o f e l e c t r o n i n s
4   e = 1 .6 02 e - 19   // c ha rg e on e l e c t r o n
5 m _e = 9 .1 e -3 1   // mass o f e l e c t r o n i n kg
6
7   printf ( ” \ n E xa mp le 1 4 . 2 ” )
8   n = 6 . 02 3 e 2 3 * 8 9 6 0 / 0. 0 6 3 54
9
10 s i gm a = n * e ^ 2* t a u / m _ e
11   printf ( ” \ n C o n d u c t i v i t y o f c op pe r a t 30 0 K i s %. 1 e
ohmˆ−1 mˆ −1 ” ,sigma)

Scilab code Exa 14.3  Estimation of resistivity due to impurity scattering

of 1 percent of Nickel in copper lattice

1 // Estimati on of r e s i s t i v i t y d ue t o i m p u r i t y
s c a t t e r i n g o f 1% o f N i c k el i n c op pe r l a t t i c e
2 clc
3 r _c u = 1 .8 e -8 / / r e s i s t i v i t y o f p u r e c o p p e r i n ohm−m
4 r _N i_ cu = 7 e -8 / / r e s i s t i v i t y o f c o p p e r 4% N i i n ohm−
m
5   p er1 = 4 / / i m p u ri t y i n p e r c e n t
6   p er2 = 1   // i m p ur i t y i n p e rc e nt
7   printf ( ” \ n E xa mp le 1 4 . 3 ” )
8 r = ( r _ Ni _c u - r _ c u ) * p er 2 / p e r1 // r e s i s t i v i t y o f 
c o p p er 1% Ni i n ohm−m
9   printf ( ” \ n R e s i s t i v i t y due t o i mp ur i ty s c a t t e r i n g o f  
1 %% o f N i c k e l i n c o p p er l a t t i c e i s %. 1 e ohm−m” ,
r)

46
 Chapter 15

Semiconductors

Scilab code Exa 15.1  Calculate intrinsic carrier density

1 // Calculate i n t r i n s i c ca rr ie r density
2 clc
3   r ho = 3 00 0 // r e s i s t i v i t y in ohm m
4 m u_ e = 0 .1 4
5 m u_ h = 0 .0 5
6   e = 1 .6 02 e - 19   // c ha rg e on e l e c t r o n
7   printf ( ” \ n E xa mp le 1 5 . 1 ” )
8 s ig ma = 1/ r ho
9 n = s ig ma / ( ( m u_ e + m u_ h ) *e )
10   printf ( ” \ n I n t r i n s i c c a r r i e r d e n s i t y i s % . 3 e mˆ −3” ,n
)

47
 Chapter 16

Magnetic Materials

Scilab code Exa 16.1  Calculate the net magnetic moment per iron atom
in crystal

1   / / C a l c u l a t e t h e n e t m a gn e ti c moment p e r i r o n atom
i n c r y st a l
2 clc
3   a = 2.87 / / l a t t i c e p a r a m e t e r i n a n g st r o m
4 n = 2   / / number o f a to ms p e r u n i t c e l l
5   m = 1750   // S a t u r a t i o n m a g n e t i z at i o n i n kAmˆ −1
6 m u = 9 .2 73 e - 24   / / b o hr m ag ne to n
7   printf ( ” \ n E xa mp le 1 6 . 1 ” )
8 m _a t om = m * 1 e3 * ( a *1 e - 10 ) ^ 3 / n
9   m u _b = m _a to m / m u
10
11   printf ( ” \ n Net m a g ne t i c m oment p e r i r o n atom i n
c r y s t a l i s %. 3 e Amˆ 2 ” ,m_atom)
12   printf ( ” \ n I n u n i t o f mu b , Net m a gn et i c moment p e r
i r o n atom i n c r y s t a l i s %. 1 f ” ,mu_b)

48
 Scilab code Exa 16.2   Comparison of saturation temperatures

1   / / Com pa ris on o f s a t u r a t i o n t e mp e ra t ur e s
2 clc
3   t 1 = 0   // t em pe ra tu re i n k e l v i n
4   t 2 = 300   // t em pe ra tu re i n k e l v i n
5   m _ n et _G d = 7   // n e t m a g ne t i c m oment o f g a d o l i n i u m
6   m _ n et _ Co = 1 .7   // n et m a gn et i c moment o f c o b a l t
7 t _c _G d = 2 89   // c u r i e t em pe ra tu re f o r Gd
8   printf ( ” \ n E xa mp le 1 6 . 2 ” )
9   printf ( ” \ n P a rt A : ” )
10 if m_net_Gd > m_net_Co   then
11   printf ( ” \ n At %d K , N et m a g n e t i c moment o f  
g a do l in i um i . e . %d i s g r e a t e r t ha n n et m ag ne ti c
moment o f c o b a l t i . e . %. 1 f ” ,t1,m_net_Gd ,m_net_Co
)
12   printf ( ” \ n S o , Gd w i l l h ave h i g h e r s a t u r a t i o n
magn etiza tion ”)
13 end
14   printf ( ” \ n \ n P ar t B : ” )
15 if t_c_Gd <t2   then
16   printf ( ” \ n At t em p er a tu re %d K, Gd i s a bo ve i t s
c u r i e t e m p e r at u r e o f %dK” ,t2,t_c_Gd)
17   printf ( ” \ n Gd w i l l be p ar am a gn et ic a t %d K and
w i l l h a ve n e g l i g i b l e m a g n e ti za t i o n \ n a s
compared t o Co , whi ch h as h i g h e r c u r i e
t e m p e r a t u r e ” ,t2)
18 end

Scilab code Exa 16.4   Calculation of hysteresis loss

1   // C a l c u l a t i o n o f h y s t e r es i s l o s s
2 clc

49
 3   v = 0.01   / / v ol um e i n mˆ 3
4   x = 1e -4   // a x i s i n t e r c e p t
5   y = 1 e2   // a x i s i n t e r c e p t
6   a = 60 00 0   // H y s t e r e s i s l oo p a re a
7   f = 5 0   // f r eq u en c y i n Hz
8   printf ( ” \ n E xa mp le 1 6 . 4 ” )
9   e = x * y * a   // En erg y l o s s i n o ne l o o p
10 E = e*v   // e n e r g y l o s s i n c or e i n on e c y c l e
11 P = E*f   // Power l o s s
12   printf ( ” \ n P ower l o s s due t o h y s t e r e s i s i s %d W” ,P)

Scilab code Exa 16.5  Calculation of eddy current loss at normal voltage
and frequency

1   / / C a l c u l a t i o n o f eddy c u r r e n t l o s s a t n o r ma l
v o l t a g e and f r eq u e nc y
2 clc
3   T o t al 1 = 2 30 0   / / t o t a l i r o n l o s s i n W a t 4 4 0 V and
5 0 Hz
4 T ot al 2 = 7 50   / / t o t a l i r o n l o s s i n W a t 2 20 V and 25
Hz
5   printf ( ” \ n E xa mp le 1 6 . 5 ” )
6 W _e = 1 / 2* ( T o ta l1 - 2* T o t a l 2 )
7   printf ( ” \ n Eddy c u r re n t l o s s a t n o r m a l v o l t a g e and
f r e q u e n c y i s %dW” ,4*W_e)

50
 Chapter 17

Dielectric Materials

Scilab code Exa 17.1  Calculation of relative dielectric constant

1 // c a l c u l a t i o n o f r e l a t i v e d i e l e c t r i c c o n st a n t
2 clc
3   l = 10 // l e n g t h o f c a p a c i t o r i n mm
4   b = 1 0   // w i d t h o f c a p a c i t o r i n mm
5 d = 2   // d i s t a n c e o f s e p a r a t i o n i n mm
6   c = 1e -9 // c a p ac i t a n c e i n f a ra d
7   e p s i lo n _ 0 = 8 . 85 e - 1 2   // p e r m i t t i v i t y o f f r e e s pa c e
8   printf ( ” \ n E xa mp le 1 7 . 1 ” )
9 e p s il o n _r = c * d * 1 e - 3/ ( e p s i l on _ 0 * l * 1 e - 3* b * 1 e - 3 )
10
11   printf ( ” \ n R e l a t i v e d i e l e c t r i c c o n s t a n t i s %d” ,
epsilon_r)

Scilab code Exa 17.2  Calculate the polarization of a BaTio3 crystal

1   / / c a l c ul a t e the p o l a r iz a t i on o f a BaTio3 c r y s t a l
2 clc

51