Material Science

MENG 286 – Fall 2023

MATERIAL SCIENCE
MENG 286 – Fall 2023
 Material Science
MENG 286 – Fall 2023

Dr. S. Alireza Razavi

Office: EE138
S.Razavi@emu.edu.tr
Required Text
Material Science
MENG 286 – Fall 2023

MATERIALS SCIENCE AND ENGINEERING: AN

INTRODUCTION, W.D. Callister, Jr. and D.G. Rethwisch, 8th
edition, John Wiley and Sons, Inc. (2010).

3
Recap
Material Science
MENG 286 – Fall 2023
• Name major classes of materials?
1. Metals
2. Ceramics
3. Polymers
4. Composites
• Metals are characterized by their ………. bonds, ceramics by their……… bonds, polymers by their
……. bonding.
• metallic, ionic, covalent
• How are brittle materials different to ductile materials in terms of their mechanical properties?
• Brittle: break under minimum strain (elongation) despite having relatively higher strengths.

• Bring 3 examples of advance materials?

• Smart materials, semiconductors, nanomaterials.

• Nanomaterial sizes are in the order of

• 10-9 equivalent to the diameter of approx. 500 atoms.

4
Recap
Material Science
MENG 286 – Fall 2023
• What material and crystal types are shown here?
1. Fe-atom, BCC structure, thus it is an 𝛼-iron
2. Fe-atom, FCC structure, thus it is a 𝛾-iron

• For a FCC structure, coordination number is …., APF is, ……., and total number of atoms is ……
1. 12, 0.74, 4

• Which unit cell represents that of a cobalt’s?

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 Material Science
MENG 286 – Fall 2023

Lecture 3
Fundamentals of Crystallography
6
 Recap
Material Science
MENG 286 – Fall 2023

𝑎 ℎ
4R
𝒂
𝒂 𝒂 𝟐
𝒂 𝟐
4R 𝑎

𝒂 HCP
FCC BCC
𝑎 = 2𝑅

4𝑅 = 𝑥 4𝑅 = 𝑥 2𝑎 = 𝑥 = 4𝑅
ℎ ℎ
𝑎2 + 𝑎2 = 𝑥 2 𝑎2 + (𝑎 2)2 = (4𝑅)2 𝑐𝑜𝑠30 = =
𝑎 2𝑅
2𝑎2 = (4𝑅)2 3𝑎2 = (4𝑅)2
2𝑅 . 𝑐𝑜𝑠30 = ℎ
4𝑅 𝑎
Lattice length (a): 𝑎 =2 2𝑅 Lattice length (a): 𝑎= ℎ = 3𝑅 = 3
3 2
Atomic radius (R):
𝑎 3 3 squares′ Volume = 3 (ℎ. 𝑎)
Atomic radius (R): 4𝑅 = 𝑥 = 𝑎 2 𝑅=𝑥=
4 𝑎
𝑉𝑜𝑙. = 3 3 . 𝑎. 𝑐 7
2
Issues to Address
Material Science
MENG 286 – Fall 2023

• What is the difference in atomic arrangement between crystalline and noncrystalline solids?
• How are crystallographic directions and planes named?
• Under what circumstances does a material property vary with the measurement direction?

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Crystalline Structure in Different Materials
Material Science
MENG 286 – Fall 2023

Crystalline materials...
• atoms pack in periodic, 3D arrays
• typical of: -metals
-many ceramics
-some polymers
crystalline SiO2

Noncrystalline materials...
• atoms have no periodic packing
• occurs for: -complex structures
-rapid cooling
noncrystalline SiO2

Si Oxygen
Adapted from Fig. 3.11(a), Adapted from Fig. 3.11(b),
"Amorphous" = Noncrystalline Callister & Rethwisch 9e. Callister & Rethwisch 9e.

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Crystal Systems
Material Science
MENG 286 – Fall 2023

• Due to having too many different possible crystal structures, we

have to divide them into groups according to unit cell
configurations’ geometries.
• What was a unit cell (Lecture 2)?
− A Unit Cell is the smallest repetitive volume which contains the
complete lattice pattern of a crystal.

• The unit cell geometry is completely defined in terms of six

parameters (lattice parameters):
• three edge lengths a, b, and c, which are the lattice constants,
and three interaxial angles 𝛼, 𝛽, and 𝛾.
• There are seven different possible combinations of a, b, and c
and 𝛼, 𝛽, and 𝛾, each of which represents a distinct crystal
system.
− These seven crystal systems are cubic, tetragonal, hexagonal,
orthorhombic, rhombohedral, monoclinic, and triclinic.

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 7 Crystalline Structures
Material Science
MENG 286 – Fall 2023

(Greatest
symmetry)

(Least
symmetry)

From the discussion of metallic crystal structures,

it should be apparent that both FCC and BCC
structures belong to the cubic crystal system,
whereas HCP falls within the hexagonal system.

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Crystallographic Points, Directions, and Planes
Material Science
MENG 286 – Fall 2023
• When dealing with crystalline materials, it often becomes necessary to specify a particular point
within a unit cell, a crystallographic direction, or some crystallographic plane of atoms.
1. Point Coordinate
2. Crystallographic Directions
3. Crystallographic Planes

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1. Point Coordinates
Material Science
MENG 286 – Fall 2023
• Lattice Position Coordinates: Specifies a lattice position within a unit cell.
• The number refers to the distance from the origin in terms of lattice parameters.
• Coordinate specifications are possible using three-point indices: q, r, and s.
• These indices are fractional multiples of a, b, and c unit cell lengths
− q is some fractional length of a along the x axis,
− r is some fractional length of b along the y axis,
− s is some fractional length of c along the z axis.

Px = qa
Py = rb
Pz = sc

The q index (which is a fraction) corresponds to the distance

qa along the x axis, where a is the unit cell edge length.
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Example 1
Material Science
MENG 286 – Fall 2023
Location of Point Having Specified Coordinates.
1 1
• For the unit cell shown in the accompanying sketch (a), locate the point having indices 4 1 2.

15
Solution 1
Material Science
MENG 286 – Fall 2023

x lattice position

y lattice position

z lattice position

16
Example 2
Material Science
MENG 286 – Fall 2023
Specify point indices for all the atom numbered positions in a unit cell. (BCC unit cell).

17
Solution 2
Material Science
MENG 286 – Fall 2023

Indices are q, r, and s along x, y, and z axes, respectively.

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Point Coordinates
Material Science
MENG 286 – Fall 2023
• Point coordinates for unit cell center are:
Translation: integer multiple of lattice constants →
½½½
identical position in another unit cell
a/2, b/2, c/2

• Point coordinates for unit cell corner are 111 z 2c

a, b, c 111 ·

z
111 · ·
c b y
b

000
y
a b
x
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2. Crystallographic Directions
Material Science
MENG 286 – Fall 2023
• A crystallographic direction is defined as a line directed between two points, or a vector.
• Algorithm to define:
1. Determine coordinates of vector tail, pt.1: x1, y1, & z1; and vector head, pt.2: x2, y2, & z2.
2. Subtract tail point coordinates from the head point coordinates x2 – x1
3. Normalize (divide) coordinate differences in terms of their lattice parameters a, b, and c:

4. which yields a set of three numbers.

5. Adjust to smallest integer values (if necessary).
6. Enclose in square brackets, no commas
[uvw]
− The u, v, and w integers correspond to the normalized coordinate differences referenced to the x, y, and z
axes, respectively.
− For example, [111] has all components in the positive x, y, and z directions, whereas [111]
ത has a
component in the –x direction.
− Also, changing the sign of all indices results in an antiparallel direction that is [11ത 1] is directly opposite to
ത 1].
[11 ത

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2. Crystallographic Directions
Material Science
MENG 286 – Fall 2023
• The [100], [110], and [111] directions are common ones;

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Example 3
Material Science
MENG 286 – Fall 2023

pt. 1 x1 = 0, y1 = 0, z1 = 0
pt. 2 x2 = a, y2 = 0, z2 = c/2

22
Solution 4
Material Science
MENG 286 – Fall 2023

pt. 1 x1 = 0, y1 = 0, z1 = 0
→
pt. 2 x2 = a, y2 = 0, z2 = c/2

→ 1, 0, 1/2
Adjust to smallest integer values → 2, 0, 1
z
→ [ 201 ] →
pt. 2
pt. 1:
head y
tail

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Example 5
Material Science
MENG 286 – Fall 2023
Determination of Directional Indices
• Determine the indices for the direction shown in the accompanying figure.

24
Solution 5
Material Science
MENG 286 – Fall 2023
1. The tail coordinates are:
x1 = a y1 = 0b z1 = 0c
2. The head coordinates are:
x2 = 0a y2 = b z2 = c/2
3. Point coordinate differences are:
1. x2 − x1 = 0a − a = −a
2. y2 − y1 = b − 0b = b
3. z2 − z1 = c/2 − 0c = c/2
4. Adjust to smallest integer value by a factor of 2
1. u = -2
2. v = 2
3. w = 1
ത
= [221]

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Solution 5
Material Science
MENG 286 – Fall 2023

Finally, summarize the integer values of the three indices u, v, and w in a Table.

26
Example 6
Material Science
MENG 286 – Fall 2023

pt. 1 x1 = a, y1 = b/2, z1 = 0 Solution 6

pt. 2 x2 = -a, y2 = b, z2 = c

z pt. 2 => -2, 1/2, 1

head

Adjust to smallest integer value by a factor of 2

y -4, 1, 2 => [4ത 12]

pt. 1:
x tail

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Example 7
Material Science
MENG 286 – Fall 2023

Solution 7

Direction A
Head point – tail point
(1, 1, 1/3) – (0,0,2/3)
1, 1, -1/3
Multiply by 3 to get smallest integers 3, 3, -1 [𝟑𝟑𝟏
ഥ]

Direction B
Head point – tail point
(0, 1, 1/2) – (2/3,1,1)
-2/3, 0, -1/2
Multiply by 6 to get smallest integers -4, 0, -3 [𝟒 ഥ
ഥ𝟎𝟑]

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Further Practice
Material Science
MENG 286 – Fall 2023

29
3. Crystallographic Planes
Material Science
MENG 286 – Fall 2023
• Lattice Plane: The planes which passes through crystal lattice and intersects lattice points.

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Miller Indices
Material Science
MENG 286 – Fall 2023
• Miller Indices are set of three numbers used to specify lattice plane.
• I.e., Miller Indices for crystallographic planes are the reciprocals of the fractional intercepts
(with fractions cleared) which the plane makes with the crystallographic x, y, and z axes of
the three nonparallel edges of the cubic unit cell.

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3. Crystallographic Planes
Material Science
MENG 286 – Fall 2023
• 4-Step Procedure to define planes:
1. Find the intercepts that the plane makes with the three axes x, y, and z.
− If the plane passes through origin change the origin or draw a parallel plane elsewhere (e.g., in adjacent
unit cell).
2. Take the reciprocal of the intercepts.
3. Remove fractions.
4. Enclose in ( ) NO COMMAS.
(hkl)

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Determination of Planar (Miller) Indices
Material Science
MENG 286 – Fall 2023
1. Intercept
z
2. Reciprocal
3. Reduction c
4. Enclosure

y
a b
x

33
Determination of Planar (Miller) Indices
z Material Science
a b c MENG 286 – Fall 2023
1. Intercept
1 1 
2. Reciprocal c
1/1 1/1 1/
3. Reduction
1 1 0
4. Enclosure y
(110)
(hkl)
a b
x
a b c
1. Intercept z
1/2  
2. Reciprocal c
1/½ 1/ 1/
3. Reduction
2 0 0
4. Enclosure
(200) y
(hkl) a b
x
34
Determination of Planar (Miller) Indices
z Material Science
1. Intercept a b c MENG 286 – Fall 2023

1/2 1 3/4 c
2. Reciprocal
1/½ 1/1 1/¾ ·
2 1 4/3
3. Reduction · y
6 3 4 ·
4. Enclosure a b
(634)
(hkl) x

35
Construction of a Specified Crystallographic Plane
Material Science
MENG 286 – Fall 2023
Construct a (101) plane within the following unit cell.

Solution
1. Follow a reverse order procedure as you would use in determination of Millers Indices from a unit
cell.

36
Construction of a Specified Crystallographic Plane
Material Science
MENG 286 – Fall 2023
Construct a (101) plane within the following unit cell.

a b c
1. Intercept
intsc parall intsc
2. Reciprocal
1 ∞ 1
3. Reduction
1 0 1
4. Enclosure
(101)
(hkl)

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Linear and Planar Atomic Densities
Material Science
MENG 286 – Fall 2023

38
Linear Density
Material Science
MENG 286 – Fall 2023
Linear Density (LD) is defined as the number of atoms per unit length whose centers lie on the
direction vector of a given crystallographic direction.
• For a particular material, equivalent directions have identical linear densities.

𝑛𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑎𝑡𝑡𝑜𝑚𝑠 𝑐𝑒𝑛𝑡𝑒𝑟𝑒𝑑 𝑜𝑛 𝑑𝑖𝑟𝑒𝑐𝑡𝑖𝑜𝑛 𝑣𝑒𝑐𝑡𝑜𝑟

𝐿𝐷 =
𝑙𝑒𝑛𝑔𝑡ℎ 𝑜𝑓 𝑑𝑖𝑟𝑒𝑐𝑡𝑖𝑜𝑛 𝑣𝑒𝑐𝑡𝑜𝑟

• The unit for LD is nm-1 or m-1

39
LD Example
Material Science
MENG 286 – Fall 2023
Calculate the Linear Density for [110] direction in a BCC unit cell, in terms of the lattice parameter as
well as the atomic radius.

𝑛𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑎𝑡𝑡𝑜𝑚𝑠 𝑐𝑒𝑛𝑡𝑒𝑟𝑒𝑑 𝑜𝑛 𝑑𝑖𝑟𝑒𝑐𝑡𝑖𝑜𝑛 𝑣𝑒𝑐𝑡𝑜𝑟

𝐿𝐷110 = =
𝑙𝑒𝑛𝑔𝑡ℎ 𝑜𝑓 𝑑𝑖𝑟𝑒𝑐𝑡𝑖𝑜𝑛 𝑣𝑒𝑐𝑡𝑜𝑟

1 1
+ 𝑎𝑡𝑜𝑚
Lattice parameter a = 2 2 (nm-1 or m-1)
𝑎 2

𝒂 (1) 3 (nm-1 or m-1)

Atomic radius R = =
𝒂 𝒂 𝟐 4𝑅
4R 2 4 2𝑅
𝒂 𝟐 3

𝒂 4R
BCC
40
Planar Density
Material Science
MENG 286 – Fall 2023
Planar Density (PD) is defined as the number of atoms per unit area whose centers lie on the direction
vector of a given crystallographic direction.
• For a particular material, equivalent directions have identical linear densities.

𝑛𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑐𝑒𝑛𝑡𝑒𝑟𝑒𝑑 𝑜𝑛 𝑎 𝑝𝑙𝑎𝑛𝑒

𝑃𝐷 =
𝑎𝑟𝑒𝑎 𝑜𝑓 𝑝𝑙𝑎𝑛𝑒

• The unit for LD is nm-2 or m-2

41
PD Example
Material Science
MENG 286 – Fall 2023
Calculate the Planar Density for [110] direction in a FCC unit cell.

𝑛𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑐𝑒𝑛𝑡𝑒𝑟𝑒𝑑 𝑜𝑛 𝑎 𝑝𝑙𝑎𝑛𝑒

𝑃𝐷 = =
𝑎𝑟𝑒𝑎 𝑜𝑓 𝑝𝑙𝑎𝑛𝑒

1 1
4 4 +2(2) 2𝑎𝑡𝑜𝑚𝑠 1𝑎𝑡𝑜𝑚
= = = (nm-1 or m-1)
4𝑅 .(2𝑅 2) 8𝑅 2 2 4𝑅 2 2

Can you spot the mistakes?

(The answer in the next slide)

42
PD Example
Material Science
MENG 286 – Fall 2023
Calculate the Planar Density for (110) direction in a FCC unit cell.

𝑛𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑐𝑒𝑛𝑡𝑒𝑟𝑒𝑑 𝑜𝑛 𝑎 𝑝𝑙𝑎𝑛𝑒

𝑃𝐷 = =
𝑎𝑟𝑒𝑎 𝑜𝑓 𝑝𝑙𝑎𝑛𝑒

1 1
4 4 +2(2) 2𝑎𝑡𝑜𝑚𝑠 1𝑎𝑡𝑜𝑚
= = = (nm-2 or m-2)
4𝑅 .(2𝑅 2) 8𝑅 2 2 4𝑅 2 2

43