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Crystal Structure
Palak Desai
Mechanical Engineering Department
Body Centered
Face Centered
Base Centered
3-3
= = = 900
Simple
Body Centered
Figure 3.2
Face centered
Tetragonal
a =b c
= = = 900
Simple
3-4
Body Centered
Orthorhombic
a b c
= = = 900
Simple
Base Centered
Body Centered
Face Centered
Rhombohedral
Figure 3.2
a =b = c
= = 900
Simple
3-5
Hexagonal
a b c
= = = 900
Simple
Monoclinic
a b c
Base
Centered
= = = 900
Simple
Figure 3.2
Triclinic
a b c
= = = 900
3-6
Simple
BCC Structure
FCC Structure
Figure 3.3
3-7
HCP Structure
3-9
4R
3
Figure 3.5
Vatoms =
4 R 3
2.
4R
3-10
= 8.373R3
V unit cell = a3 =
Therefore APF =
= 12.32 R3
8.723 R3 = 0.68
12.32 R3
3-12
Figure 3.7
After F.M. Miller, Chemistry: Structure and Dynamics, McGraw-Hill, 1984, p.296
Each atom has six 1/6 atoms at each of top and bottom
layer, two half atoms at top and bottom layer and 3 full
atoms at the middle layer.
Therefore each HCP unit cell has
(2 x 6 x 1/6) + (2 x ) + 3 = 6 atoms
Examples: Zinc (a = 0.2665 nm, c/a = 1.85)
Cobalt (a = 0.2507 nm, c.a = 1.62)
Figure 3.8 c
3-14
After F.M. Miller, Chemistry: Structure and Dynamics, McGraw-Hill, 1984, p.296
directions.
3-15
Figure 3.11
3-16
z
(1,1/2,1)
NO
YES
Represent the indices in a square
bracket without comas with a
over negative index (Eg: [121])
3-17
(1,1/2,1) - (0,0,0)
= (1,1/2,1)
y
(0,0,0)
2 x (1,1/2,1)
= (2,1,2)
NO
Represent the indices in a square
bracket without comas (Eg: [212] )
3-18
Miller Indices
y
x
3-19
Clear fractions by
multiplying by an integer
to determine smallest set
of whole numbers
z
(100)
x
x
Figure 3.14
3-21
Figure EP3.7 a
Figure EP3.7 c
3-22
x
3-23
(110)
[110]
Figure EP3.7b
d
3-24
hkl
k l
Figure 3.16
3-25
Basal Planes:Intercepts a1 =
a2 =
a3 =
c=1
(hkli) = (0001)
3-26
3-28 After W.G. Moffatt, G.W. Pearsall, & J. Wulff, The Structure and Properties of Materials, vol. I: Structure, Wiley, 1964, p.51.)
Consider a layer
of atoms (Plane A)
Another layer (plane B)
of atoms is placed in a
Void of plane A
Plane A
Plane B
a void
b void
Plane A
Plane B
Plane A
Plane C
Figure 3.20
3-29
Volume Density
Mass/Unit cell
Volume/Unit cell
4R
4 0.1278nm
= 0.361 nm
v
3-30
m
V
4.22 10 28 Mg
4.7 10 29 m 3
8.98
Mg
m3
8.98
g
cm 3
= 4.22 x 10-28 Mg
Selected area
17.2atoms
nm 2
2
2 0.287
1.72 1013
mm 2
2atoms
2 0.361nm
Figure 3.23
3-32
2 0.361nm
3.92atoms
nm
3.92 10 6 atoms
mm
Polymorphism or Allotropy
9120C
-2730C
Iron
BCC
3-33
13940C 15390C
Iron
FCC
Iron
BCC
35 KV
(Eg:
Molybdenum)
Figure 3.25
3-34
After B.D. Cullity, Elements of X-Ray Diffraction, 2d ed., Addison-Wesley, 1978, p.23.
3-35
Figure 3.26
X-Ray Diffraction
3-36
After A.G. Guy and J.J. Hren, Elements of Physical Metallurgy, 3d ed., Addison-Wesley, 1974, p.201.)
(n = 1,2)
n is order of diffraction
If dhkl is interplanar distance,
Then MP = PN = dhkl.Sin
Therefore,
Figure 3.28
3-37
= 2 dhkl.Sin
After A.G. Guy and J.J. Hren, Elements of Physical Metallurgy, 3d ed., Addison-Wesley, 1974, p.201.)
We know that
hkl
h2 k 2 l 2
Since 2dSin
Substituting for d,
2aSin
h2 k 2 l 2
2
Therefore Sin
2 h 2 k 2 l 2
4a 2
Note that the wavelength and lattice constant a are the same
For both incoming and outgoing radiation.
3-38
2 ( h A 2 k A 2 l A 2 )
4a 2
2 ( h B k B l B )
2
Sin 2 B
(For plane A)
(For plane B)
4a 2
Sin 2 A
Sin 2 B
3-39
(h A k A l A )
( hB k B l B )
Figure 3.30
3-40
3-41
Sin 2 A
Sin 2 B
(2 2 02 02 )
0.5
Sin 2 A
Sin 2 B
3-42
(12 12 0 2 )
(12 12 12 )
(2 2 02 02 )
0.75
Unknown
metal
Crystallographic
Analysis
Sin 2 A
Sin B
0.75
FCC
Crystal
Structure
3-43
Sin 2 A
Sin 2 B
0.5
BCC
Crystal
Structure
Amorphous Materials