MSE 104: Introduction to

Materials Science & Engineering

Course Objective...
Introduce fundamental concepts in Materials
Science and Engineering

You will learn about:

material structure
how structure dictates properties
how processing can change structure

This course will help you to:

use materials properly
realize new design opportunities with materials
select the appropriate materials for engineering
applications
Chapter 1 - 1

Chapter 1 - Introduction
What is materials science / materials engineering?

Chapter 1 - 2

Structure, Processing, & Properties

Properties depend on structure
ex: hardness vs structure of steel
(d)

Hardness (BHN)

6 00
5 00
4 00

(c)
(a)

(b)
4 mm

3 00
2 00

30 mm

30 mm

100
0.01 0.1

30 mm

Data obtained from Figs. 10.30(a)

and 10.32 with 4 wt% C composition,
and from Fig. 11.14 and associated
discussion, Callister & Rethwisch 8e.
Micrographs adapted from (a) Fig.
10.19; (b) Fig. 9.30;(c) Fig. 10.33;
and (d) Fig. 10.21, Callister &
Rethwisch 8e.

1
10 100 1000
Cooling Rate (C/s)

Processing can change structure

ex: structure vs cooling rate of steel
Chapter 1 - 3

Classes of Engineered Materials

Metals:
High thermal & electrical conductivity
Opaque, reflective, strong, ductile

Polymers/plastics: Covalent bonding sharing of es

Thermal & electrical insulators
Optically translucent or transparent
Soft, ductile, low strength, low density

Ceramics: ionic bonding (refractory) compounds of metallic

& non-metallic elements (oxides, carbides, nitrides, sulfides)
Non-conducting (insulators)
Brittle, glassy, inelastic

Semiconductors: covalent . Mixed (ionic) elements (silicon,

germanium) or compounds of metallic & non-metallic elements
(arsenides, phosphides, nitrides)
Engineered Conduction
Brittle, inelastic
Chapter 1 -

The Materials Selection Process

1. Pick Application

Determine required Properties

Properties: mechanical, electrical, thermal, optical,

corrosive.

2. Properties

Identify candidate Material(s)

Material: structure, composition.

3. Material

Identify required Processing

Processing: changes structure and overall shape

ex: casting, sintering, vapor deposition, doping,
forming, joining, annealing.

Chapter 1 - 5

ELECTRICAL
Electrical Resistivity of Copper:
6

Adapted from Fig. 18.8, Callister &

Rethwisch 8e. (Fig. 18.8 adapted
from: J.O. Linde, Ann Physik 5, 219
(1932); and C.A. Wert and R.M.
Thomson, Physics of Solids, 2nd
edition, McGraw-Hill Company, New
York, 1970.)

(10-8 Ohm-m)

Resistivity, r

4
3
2
1
0

-200

-100

T (C)

Adding impurity atoms to Cu (Cu-Ni alloy) increases resistivity

Deforming Cu increases resistivity.
Chapter 1 - 6

THERMAL
-- Silica fiber insulation
offers low heat conduction.
Adapted from chapteropening photograph,
Chapter 17, Callister &
Rethwisch 3e. (Courtesy
of Lockheed
Missiles and Space
Company, Inc.)

100 mm

Thermal Conductivity
of Copper:
-- It decreases when
you add zinc
Thermal Conductivity
(W/m-K)

Space Shuttle Tiles:

Adapted from
Fig. 19.4W, Callister
6e. (Courtesy of
Lockheed Aerospace
Ceramics Systems,
Sunnyvale, CA)
(Note: "W" denotes fig.
is on CD-ROM.)

400
300
200
100
0

0
10 20 30 40
Composition (wt% Zinc)

Adapted from Fig. 19.4, Callister & Rethwisch

8e. (Fig. 19.4 is adapted from Metals Handbook:
Properties and Selection: Nonferrous alloys and
Pure Metals, Vol. 2, 9th ed., H. Baker,
(Managing Editor), American Society for Metals,
1979, p. 315.)
Chapter 1 - 7

OPTICAL
Transmittance:
-- Aluminum oxide may be transparent, translucent, or
opaque depending on the material structure.
single crystal

polycrystal:
low porosity

polycrystal:
high porosity

Adapted from Fig. 1.2,

Callister & Rethwisch 8e.
(Specimen preparation,
P.A. Lessing; photo by S.
Tanner.)

Chapter 1 - 8

SUMMARY
Course Goals:
Use the right material for the job.
Understand the relation among properties,
structure, processing and performance.
Recognize new design opportunities offered
by materials selection.

Chapter 1 - 9

Chapter 2: Atomic Structure &

Interatomic Bonding
ISSUES TO ADDRESS...
What promotes bonding?
What types of bonds are there?
What properties are inferred from bonding?

Chapter 1 - 10

Atomic Structure
Atom

electrons 9.11 x 10-31 kg

protons
1.67 x 10-27 kg
neutrons

Atomic number = # of protons in nucleus of atom

= # of electrons of neutral species
A [=] atomic mass unit = amu = 1/12 mass of 12C
Atomic wt = wt of 6.022 x 1023 molecules or atoms
1 amu/atom = 1g/mol
C
H

12.011
1.008 etc.
Chapter 1 - 11

Atomic Structure
Valence electrons determine all of the
following properties
1) Chemical
2) Electrical
3) Thermal
4) Optical

Chapter 1 - 12

Electronic Structure

Quantum #

Designation

n = principal (energy level-shell) K, L, M, N, O (1, 2, 3, etc.)

l = subsidiary (orbitals)
s, p, d, f (0, 1, 2, 3,, n -1)
ml = magnetic
1, 3, 5, 7 (-l to +l)
ms = spin

, -

Chapter 1 - 13

Electron Energy States

Electrons...
Have discrete energy states
Tend to occupy lowest available energy state
eg. Potassium (K) 1s22s22p63s23p64s1
4d
4p

N-shell n = 4

3d
4s
Energy

3p
3s

M-shell n = 3

2p
2s

L-shell n = 2

1s

K-shell n = 1

Adapted from Fig. 2.4,

Callister & Rethwisch 8e.

Chapter 1 - 14

Survey of Elements
Most elements: Electron configuration not stable.
Element
Atomic #
Hydrogen
1
Helium
2
Lithium
3
Beryllium
4
Boron
5
Carbon
6
...
Neon
10
Sodium
11
Magnesium
12
Aluminum
13
...

Electron configuration
1s 1
1s 2
(stable)
1s 2 2s 1
1s 2 2s 2
1s 2 2s 2 2p 1
1s 2 2s 2 2p 2
...

Argon
...
Krypton

1s 2 2s 2 2p 6 3s 2 3p 6
(stable)
...
1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 4p 6 (stable)

18
...
36

Adapted from Table 2.2,

Callister & Rethwisch 8e.

1s 2 2s 2 2p 6
(stable)
1s 2 2s 2 2p 6 3s 1
1s 2 2s 2 2p 6 3s 2
1s 2 2s 2 2p 6 3s 2 3p 1
...

Why? Valence (outer) shell usually not filled completely.

Chapter 1 - 15

Electron Configurations
Valence electrons those in unfilled
shells
Filled shells more stable
Valence electrons are most available for
bonding and tend to control the chemical
properties
example: C (atomic number = 6)
1s2 2s2 2p2
valence electrons

Chapter 1 - 16

give up 1egive up 2egive up 3e-

Columns: Similar Valence Structure

accept 2eaccept 1einert gases

The Periodic Table

He

Li Be

F Ne

Na Mg

Cl Ar

K Ca Sc
Rb Sr

Cs Ba

Se Br Kr
Te

Adapted from
Fig. 2.6,
Callister &
Rethwisch 8e.

Xe

Po At Rn

Fr Ra

Electropositive elements:
Readily give up electrons
to become + ions.

Electronegative elements:
Readily acquire electrons
to become - ions.
Chapter 1 - 17

Electronegativity
Ranges from 0.7 to 4.0,
Large values: tendency to acquire electrons.

* Also increases from bottom to top

Smaller electronegativity

Larger electronegativity

Adapted from Fig. 2.7, Callister & Rethwisch 8e. (Fig. 2.7 is adapted from Linus Pauling, The Nature of the
Chemical Bond, 3rd edition, Copyright 1939 and 1940, 3rd edition. Copyright 1960 by Cornell University.
Chapter 1 - 18

Ionic Bond: Metal + Non-metal

donates
electrons

accepts
electrons

Dissimilar electronegativities
ex: MgO

Mg

1s2 2s2 2p6 3s2

[Ne] 3s2

Mg2+ 1s2 2s2 2p6

[Ne]

1s2 2s2 2p4

O2- 1s2 2s2 2p6

[Ne]
Chapter 1 - 19

Ionic Bonding

Occurs between + and - ions

Requires electron transfer
Large difference in electronegativity required
Example: NaCl
Na (metal)
unstable

Cl (nonmetal)
unstable
electron

Na (cation)
stable

+
Coulombic
Attraction

Cl (anion)
stable

Chapter 1 - 20

Ionic Bonding
Attractive forces
Depends on bonding

Repulsive forces
Interactions between e- cloud

At FA + FR = 0, equilibrium
exists at atomic spacing r0
Potential energy E = F dr

Chapter 1 - 21

Ionic Bonding
Energy minimum energy most stable
Energy balance of attractive and repulsive
terms
A

EN = EA + ER =

B
rn

Repulsive energy ER

Interatomic separation r
Net energy EN
Adapted from Fig. 2.8(b),
Callister & Rethwisch 8e.

Attractive energy EA
Chapter 1 - 22

Examples: Ionic Bonding

Predominant bonding in ceramics
NaCl
MgO
CaF 2
CsCl

Give up electrons

Acquire electrons

Adapted from Fig. 2.7, Callister & Rethwisch 8e. (Fig. 2.7 is adapted from Linus Pauling, The Nature of the
Chemical Bond, 3rd edition, Copyright 1939 and 1940, 3rd edition. Copyright 1960 by Cornell University.
Chapter 1 - 23

Examples: Ionic Bonding (NaCl)

Coulombic attractive forces due

to +ve and ve charged ions
Ionic bonding is non-directional
Magnitude of the bond equal in
all directions

Adapted from Fig. 2.9,

Callister & Rethwisch 8e.

Chapter 1 - 24

Covalent Bonding
Similar electronegativity share electrons
Bonds determined by valence s & p orbitals
dominate bonding
Example: CH4
C: has 4 valence e-,
needs 4 more
H: has 1 valence e-,
needs 1 more
Electronegativities
are comparable.

CH4
H

shared electrons
from carbon atom

H
shared electrons
from hydrogen
atoms

Adapted from Fig. 2.10, Callister & Rethwisch 8e.

Chapter 1 - 25

Mixed Bonding
Ionic-Covalent Mixed Bonding
% ionic character

(X A -X B )2

4
=1- e
x (100%)

where XA & XB are the electronegativities and XA > XB

Depends on relative positions of constituent

table
atoms in periodic
Ex: MgO

XMg = 1.2
XO = 3.5

( 3.5-1.2 )2

4
% ionic character 1 - e
x (100%) 73.4% ionic

Chapter 1 - 26

Metallic Bonding
Valence e- are not bound to any particular atom
Delocalized as electron cloud
Excellent conductors of heat and electricity

Adapted from Fig. 2.11,

Callister & Rethwisch 8e.
Chapter 1 - 27

Secondary (van der Waals)

Bonding

Arises from coulombic interaction between dipoles

Fluctuating dipoles
ex: liquid H2
asymmetric electron
H2
H2
clouds

+
secondary
bonding

H H

H H
secondary
bonding

Adapted from Fig. 2.13,

Callister & Rethwisch 8e.

Permanent dipoles-molecule induced

-general case:
-ex: liquid HCl
-ex: polymer

H Cl

secondary
bonding

secondary
bonding

H Cl

Adapted from Fig. 2.15,

Callister & Rethwisch 8e.

secondary bonding
Chapter 1 - 28

Summary: Bonding
Comments

Type

Bond Energy

Ionic

Large

Nondirectional (ceramics)

Covalent

Variable
large-Diamond
small-Bismuth

Directional
(semiconductors, ceramics
polymer chains)

Metallic

Variable
large-Tungsten
small-Mercury

Nondirectional (metals)

Secondary

Smallest

Directional
inter-chain (polymer)
inter-molecular
Chapter 1 - 29

Properties From Bonding: Tm

Bond Length, r

Melting Temperature, Tm
Energy

r
Bond Energy, Eo

ro

Energy

r
smaller Tm

unstretched length
ro

Eo =
bond energy

larger Tm
Tm is larger if Eo is larger

Chapter 1 - 30

Properties From Bonding: E

Modulus of elasticity (Youngs modulus), E
Hooke's Law:

s = E e

DL
F
= E
L0
A0

Slope of stress-strain curve

depends on bond strength

F
E

Linearelastic

e
F

simple
tension
test

E is larger if E0 is larger

Chapter 1 - 31

Summary
Ceramics
(Ionic & covalent bonding):

Metals
(Metallic bonding):

Polymers
(Covalent & Secondary):

Large bond energy

large Tm
large E
small a

Variable bond energy

moderate Tm
moderate E
moderate a

Directional Properties
Secondary bonding dominates
small Tm
small E
large a

Chapter 1 - 32

Chapter 3: The Structure of Crystalline

Solids
How do atoms arrange themselves to form solids?
Fundamental concepts and language
Unit cells
Crystal structures
Face-centered cubic
Body-centered cubic
Hexagonal close-packed
Close packed crystal structures
Density computations
Types of solids
Single crystal
Polycrystalline
Amorphous
How do atoms assemble into solid structures?
Chapter 1 - 33

ANNOUNCEMENTS
Reading:

3.1-3.7; 3.17
3.8-3.15

Core Problems: Ex 3.3

Chapter 1 - 34

SUMMARY
Atoms may assemble into crystalline or
amorphous structures.
Common metallic crystal structures are FCC, BCC, and
HCP. Coordination number and atomic packing factor
are the same for both FCC and HCP crystal structures.

We can predict the density of a material, provided we

know the atomic weight, atomic radius, and crystal
geometry (e.g., FCC, BCC, HCP).
Crystallographic points, directions and planes are
specified in terms of indexing schemes.
Crystallographic directions and planes are related
to atomic linear densities and planar densities.
Chapter 1 - 35

SUMMARY
Materials can be single crystals or polycrystalline.
Material properties generally vary with single crystal
orientation (i.e., they are anisotropic), but are generally
non-directional (i.e., they are isotropic) in polycrystals
with randomly oriented grains.
Some materials can have more than one crystal
structure. This is referred to as polymorphism (or
allotropy).
X-ray diffraction is used for crystal structure and
interplanar spacing determinations.

Chapter 1 - 36

Energy and Packing

Non dense, random packing

Energy
typical neighbor
bond length

typical neighbor
bond energy

Dense, ordered packing

Energy
typical neighbor
bond length

typical neighbor
bond energy

Dense, ordered packed structures tend to have

lower energies.
Chapter 1 - 37

Materials and Packing

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

crystalline SiO2
Adapted from Fig. 3.23(a),
C&R8e.

Noncrystalline materials...
atoms have no periodic packing
occurs for: -complex structures
-rapid cooling
"Amorphous" = Noncrystalline

Si

Oxygen

noncrystalline SiO2
Adapted from Fig. 3.23(b),
C&R8e.
Chapter 1 - 38

Metallic Crystal Structures

Tend to be densely packed (billiard balls).
Reasons for dense packing:
- Typically, only one element is present, so all atomic
radii are the same.
- Metallic bonding is not directional.
- Nearest neighbor distances tend to be small in
order to lower bond energy.
- Electron cloud shields cores from each other

Have the simplest crystal structures.

We will examine four such structures...

Chapter 1 - 39

Simple Cubic Structure (SC)

Rare due to low packing density (only Po has this structure)
Close-packed directions are cube edges.
Coordination # = 6
(# nearest neighbors)

Chapter 1 - 40

Atomic Packing Factor (APF)

Volume of atoms in unit cell*
APF =
Volume of unit cell
*assume hard spheres
APF for a simple cubic structure = 0.52
atoms
unit cell

a
R=0.5a

APF =

volume
atom
4
p(0.5a) 3
1
3
a3

close-packed directions
contains 8 x 1/8 =
1 atom/unit cell

volume
unit cell

Adapted from Fig. 3.24, C&R8e.

Chapter 1 - 41

Body Centered Cubic Structure (BCC)

Atoms touch each other along cube diagonals.
--Note: All atoms are identical; the center atom is shaded
differently only for ease of viewing.

ex: Cr, W, Fe (a), Tantalum, Molybdenum

Coordination # = 8

Adapted from Fig. 3.2, C&R8e.

2 atoms/unit cell: 1 center + 8 corners x 1/8

Chapter 1 - 42

Atomic Packing Factor: BCC

APF for a body-centered cubic structure = 0.68
3a

a
2a
Adapted from
Fig. 3.2(a), C&R8e.

Close-packed directions:
length = 4R = 3 a

atoms
volume
4
p ( 3a/4 ) 3
2
unit cell
atom
3
APF =
volume
3
a
unit cell

Chapter 1 - 43

Face Centered Cubic Structure (FCC)

Atoms touch each other along face diagonals.
--Note: All atoms are identical; the face-centered atoms are shaded
differently only for ease of viewing.

ex: Al, Cu, Au, Pb, Ni, Pt, Ag

Coordination # = 12

Adapted from Fig. 3.1, C&R8e.

Click once on image to start animation
(Courtesy P.M. Anderson)

4 atoms/unit cell: 6 face x 1/2 + 8 corners x 1/8

Chapter 1 - 44

Atomic Packing Factor: FCC

APF for a face-centered cubic structure = 0.74
maximum achievable APF
Close-packed directions:
length = 4R = 2 a

2a

a
Adapted from
Fig. 3.1(a),
C&R8e.

Unit cell contains:

6 x 1/2 + 8 x 1/8
= 4 atoms/unit cell
atoms
volume
4
3
p( 2a/4 )
4
unit cell
atom
3
APF =
volume
3
a
unit cell
Chapter 1 - 45

FCC Stacking Sequence

ABCABC... Stacking Sequence
2D Projection
B
B
C
A
B
B
B
A sites
C
C
B sites
B
B
C sites
FCC Unit Cell

A
B
C

Chapter 1 - 46

Hexagonal Close-Packed Structure

(HCP)
ABAB... Stacking Sequence
3D Projection

2D Projection
A sites

Top layer

B sites

Middle layer

A sites

Bottom layer

Adapted from Fig. 3.3(a),

C&R8e.

Coordination # = 12
APF = 0.74
c/a = 1.633

6 atoms/unit cell
ex: Cd, Mg, Ti, Zn
Chapter 1 - 47

Theoretical Density, r
Density = r =
r =

where

Mass of Atoms in Unit Cell

Total Volume of Unit Cell

nA
VC NA

n = number of atoms/unit cell

A = atomic weight
VC = Volume of unit cell = a3 for cubic
NA = Avogadros number
= 6.022 x 1023 atoms/mol
Chapter 1 - 48

Theoretical Density, r
Ex: Cr (BCC)
A = 52.00 g/mol
R = 0.125 nm
n = 2 atoms/unit cell
Adapted from
Fig. 3.2(a), C&R8e.

atoms
unit cell

r=
volume

unit cell

a
2 52.00

a3 6.022 x 1023

a = 4R/ 3 = 0.2887 nm
g
mol

rtheoretical = 7.18 g/cm3

ractual

= 7.19 g/cm3

atoms

mol

Chapter 1 - 49

Densities of Material Classes

In general
rmetals > rceramics > rpolymers
30
Why?
Metals have...

Ceramics have...
less dense packing
often lighter elements

Polymers have...

r (g/cm3 )

close-packing
(metallic bonding)
often large atomic masses

low packing density

(often amorphous)
lighter elements (C,H,O)

Composites have...
intermediate values

Metals/
Alloys

20

Platinum
Gold, W
Tantalum

10

Silver, Mo
Cu,Ni
Steels
Tin, Zinc

5
4
3
2

0.5
0.4
0.3

Titanium

Aluminum
Magnesium

Graphite/
Ceramics/
Semicond

Polymers

Composites/
fibers

B ased on data in Table B1, Callister

*GFRE, CFRE, & AFRE are Glass,
Carbon, & Aramid Fiber-Reinforced
Epoxy composites (values based on
60% volume fraction of aligned fibers
in an epoxy matrix).
Zirconia
Al oxide
Diamond
Si nitride
Glass -soda
Concrete
Silicon
G raphite

PTFE
Silicone
PVC
PET
PC
HDPE, PS
PP, LDPE

Glass fibers
GFRE*
Carbon fibers
CFRE *
A ramid fibers
AFRE *

Wood

Data from Table B.1, Callister & Rethwisch, 8e.

Chapter 1 - 50

Chapter 1 - 51

Chapter 1 - 52

Chapter 1 - 53

Crystal Systems
Unit cell: smallest repetitive volume which
contains the complete lattice pattern of a crystal.
7 crystal systems

14 crystal lattices

a, b, and c are the lattice constants

Fig. 3.4, C&R8e.
Chapter 1 - 54

Chapter 1 - 55

Point Coordinates
z

Point coordinates for unit cell

center are

111

a/2, b/2, c/2

y

000

a
x

Point coordinates for unit cell

corner are 111

2c

b
b

Translation: integer multiple

of lattice constants
identical position in
another unit cell
Chapter 1 - 56

Crystallographic Directions
Algorithm

1. Vector repositioned (if necessary) to pass

through origin.
2. Read off projections in terms of
unit cell dimensions a, b, and c
3. Adjust to smallest integer values
4. Enclose in square brackets, no commas

[uvw]

ex: 1, 0, => 2, 0, 1 => [ 201 ]

-1, 1, 1 => [ 111 ]

where overbar represents a

negative index

families of directions <uvw>

Chapter 1 - 57

Linear Density
Number of atoms

Linear Density of Atoms LD = Unit length of direction vector

[110]
ex: linear density of Al in [110]
direction
a = 0.405 nm

# atoms
a
Adapted from
Fig. 3.1(a),
C&R8e.

LD
length

3.5 nm-1

2a

Chapter 1 - 58

BCC vs simple cubic

Chapter 1 - 59

BCC vs Simple C
Unit cell should reflect the symmetry of
the overall structure

If we look at smallest possible unit cell, we

miss the symmetry of the structure
Chapter 1 - 60

On to HCP
Same answer sort of
What is the best unit cell for HCP structure?
c

Smaller one is all we need, but it doesnt show

the symmetry. When we speak of the hcp unit
cell, we refer to the hexagonal one
Chapter 1 - 61

Reading
3-10 3-15
4-1 4-7
5-1 5-5

Chapter 1 - 62

HCP Crystallographic Directions

z

Algorithm

a2

a3
a1

1. Vector repositioned (if necessary) to pass

through origin.
2. Read off projections in terms of unit
cell dimensions a1, a2, a3, or c
3. Adjust to smallest integer values
4. Enclose in square brackets, no commas
[uvtw]
a
2

Adapted from Fig. 3.8(a),

C&R8e.

ex:

, , -1, 0

-a3

a2
2

=>

[ 1120 ]

a3

dashed red lines indicate

projections onto a1 and a2 axes

In text: example problems 3.8 and 3.9

a1
2

a1
Chapter 1 - 63

HCP Crystallographic Directions

Hexagonal Crystals
4 parameter Miller-Bravais lattice coordinates
are related to the direction indices (i.e., u'v'w')
as follows.
z

[ u 'v 'w ' ] [ uvtw ]

a2

a3
a1

1
u (2 u ' - v ')
3
1
v (2 v ' - u ')
3
t - (u +v )
w w'

Fig. 3.8(a), C&R8e.

Chapter 1 - 64

Crystallographic Planes

Adapted from Fig. 3.10,

C&R8e.
Chapter 1 - 65

Crystallographic Planes
Miller Indices: Reciprocals of the (three)
axial intercepts for a plane, cleared of
fractions & common multiples. All parallel
planes have same Miller indices.
Algorithm
1. Read off intercepts of plane with axes in
terms of a, b, c
2. Take reciprocals of intercepts
3. Reduce to smallest integer values
4. Enclose in parentheses, no
commas i.e., (hkl)

Chapter 1 - 66

Crystallographic Planes
z
example
1. Intercepts
2. Reciprocals

3.

Reduction

a
1
1/1
1
1

4.

Miller Indices

(110)

example
1. Intercepts
2. Reciprocals
3.

Reduction

a
1/2
1/
2
2

4.

Miller Indices

(100)

b
1
1/1
1
1

1/
0
0

c
y
b

x
b

1/
0
0

1/
0
0

z
c
y

x
Chapter 1 - 67

Crystallographic Planes
z

example
1. Intercepts
2. Reciprocals
3.

Reduction

4.

Miller Indices

a
1/2
1/
2
6

b
1
1/1
1
3

(634)

c
c
3/4
1/
4/3

4 a
x

Family of Planes {hkl}

Ex: {100} = (100), (010), (001), (100), (010), (001)
Chapter 1 - 68

Crystallographic Planes (HCP)

In hexagonal unit cells the same idea is
z
used
example
1. Intercepts
2. Reciprocals
3.

Reduction

a1
1
1
1
1

a2

1/
0
0

a3
-1
-1
-1
-1

c
1
1
1
1

a2

a3

4.

Miller-Bravais Indices

(1011)

a1
Adapted from Fig. 3.8(b),
C&R8e.

Chapter 1 - 69

Crystallographic Planes

We want to examine the atomic packing

of crystallographic planes
Iron foil can be used as a catalyst. The
atomic packing of the exposed planes is
important.
a) Draw (100) and (111) crystallographic planes
for Fe.
b) Calculate the planar density for each of these
planes.

Chapter 1 - 70

Planar Density of (100) Iron

Solution: At T < 912C iron has the BCC structure.
2D repeat unit

(100)

Planar Density =
area
2D repeat unit

1
a2

4 3
R
3

Radius of iron R = 0.1241 nm

Adapted from Fig. 3.2(c), C&R8e.

atoms
2D repeat unit

4 3
3

atoms
atoms
19
= 1.2 x 10
2 = 12.1
2
nm
m2
R
Chapter 1 - 71

Crystals as Building Blocks

Some engineering applications require single crystals:
-- diamond single
crystals for abrasives
(Courtesy Martin Deakins,
GE Superabrasives,
Worthington, OH. Used with
permission.)

-- turbine blades
Fig. 8.33(c), C&R8e. (Fig.
8.33(c) courtesy of Pratt
and Whitney).

Properties of crystalline materials

often related to crystal structure.
-- Ex: Quartz fractures more easily
along some crystal planes than
others.
(Courtesy P.M. Anderson)

Chapter 1 - 72

Polycrystals

Chapter 1 - 73

Single vs Polycrystals
Single Crystals

E (diagonal) = 273 GPa

Data from Table 3.3,
C&R8e. (Source of data
is R.W. Hertzberg,
Deformation and
Fracture Mechanics of
Engineering Materials,
3rd ed., John Wiley and
Sons, 1989.)

-Properties vary with

direction: anisotropic.
-Example: the modulus
of elasticity (E) in BCC iron:

Polycrystals
-Properties may/may not
vary with direction.
-If grains are randomly
oriented: isotropic.
(Epoly iron = 210 GPa)

-If grains are textured,

anisotropic.

E (edge) = 125 GPa

200 mm

Adapted from Fig.

4.14(b), C&R8e.
(Fig. 4.14(b) is courtesy
of L.C. Smith and C.
Brady, the National
Bureau of Standards,
Washington, DC [now
the National Institute of
Standards and
Technology,
Gaithersburg, MD].)

Chapter 1 - 74

Polycrystals
Most engineering materials are polycrystals.

Anisotropic

Nb-Hf-W plate with an

electron beam weld

1 mm
Each "grain" is a single crystal.
If grains are randomly oriented,
overall component properties are not directional.
Grain sizes typically range from 1 nm to 2 cm

Adapted from Fig. K, color

inset pages of Callister 5e.
(Fig. K is courtesy of Paul E.
Danielson, Teledyne Wah
Chang Albany)

Isotropic

(i.e., from a few to millions of atomic layers)

A6 alloy the heat effected zones (weld area) molecular structure is

reformed and A6 regains its original strength
Chapter 1 - 75

Polymorphism
Two or more distinct crystal structures for the
same material (allotropy/polymorphism)
iron system
titanium
liquid
a, -Ti
1538C
-Fe
BCC
carbon
1394C
diamond, graphite
-Fe
FCC
912C
BCC

a-Fe
Chapter 1 - 76

SUMMARY
Atoms may assemble into crystalline or amorphous structures.
Common metallic crystal structures are FCC, BCC, and
HCP. Coordination number and atomic packing factor
are the same for both FCC and HCP crystal structures.
We can predict the density of a material, provided we know the
atomic weight, atomic radius, and crystal geometry (e.g., FCC, BCC,
HCP).
Crystallographic points, directions and planes are specified in
terms of indexing schemes.
Crystallographic directions and planes are related to atomic linear
densities and planar densities.
Chapter 1 - 77

SUMMARY
Materials can be single crystals or polycrystalline.
Material properties generally vary with single crystal
orientation (i.e., they are anisotropic), but are generally
non-directional (i.e., they are isotropic) in polycrystals
with randomly oriented grains.
Some materials can have more than one crystal
structure. This is referred to as polymorphism (or
allotropy).
X-ray diffraction (not discussed here) is used for crystal
structure and interplanar spacing determinations.

Chapter 1 - 78