Material Exam @10.30 Am

Have you ever wondered?
Chapter 2
• What is nanotechnology?
• Why is carbon in the form of diamond one of the hardest

materials known, whereas carbon in the form of graphite is very
soft and can be used as a solid lubricant?
• How is silica, which is the main component of sand, used to

make optical fibers?
2
Length Scales in Materials Science
https://msestudent.com/what-is-materials-science-and-engineering-the-definitive-explanation/ 3
Why do We Care about Structure?
https://mse.utoronto.ca/current/graduate/meng-projects/ 4
Experimental
strengths are much
lower because of
defects!
5
Grain Size, Hall-Petch Equation: σy = σ0 + Kd-1/2
6
Structure, Length Scales, and Engineering
7
8
9
Structure
Atomic number: number of protons

Atomic mass: total mass of the number of protons and neutrons in the
atom. It has units of atomic mass units and is also the mass in grams of an
Avogadro number NA of atoms.
NA = 6.022 x 1023 atoms/mol
http://www.enotes.com/homework-help/atomic-number-tells-number-positively-charged-539616 10
Example
Calculate the number of atoms in 100 g of silver.
The atomic mass of silver is 107.868 g/mol
(Appendix A)
11
The Electronic Structure of the Atom
Electronegativity describes the
tendency of atom to gain an electron to
achieve a valence of zero.
vs.
12
The Periodic Table
• Atomic number = number of protons in
nucleus
• Atomic mass = mass of protons +
neutrons in atom
13
Trends in the Periodic Table
https://en.wikipedia.org/wiki/
Periodic_trends 14
Atomic Bonds
• Three types of Metallic Covalent Ionic
primary bonds
• Secondary bonding – van der Waals

15
How is Bonding Related to Material Properties?
• Melting point highly correlated with bond energy
• Elastic modulus correlated with bond energy

• Thermal expansion coefficient inversely correlated
with melting point (i.e., bond energy)
• Electrical conductivity related to ease of e-
movement
16
Materials with Metallic Bonds
• Metals
• Strong bonds
• Large elastic modulus
• Relatively high strength
• Highly ductile
• Relatively high melting points
• Good electrical conductivity
• Good heat conductors
• Often prone to corrosion/oxidation
17
Materials with Covalent Bonds
• Ceramics (and one type of bond in polymers)
• Very strong bonds
• Very large elastic modulus
• High strength
• Very low ductility (“brittle”)
• Very high melting points
• Low electrical conductivity
• Typically poor heat conductors
• High temperatures needed for processing
18
Materials with Ionic Bonds
• Form when one atom donates
valence electrons to another atom
• Ceramics
• Very strong bonds
• Very low ductility (“brittle”)
• Relatively high melting points
• Low electrical conductivity but can
be ionic conductors
19
Covalent vs. Ionic Bonds
https://youtu.be/NgD9yHSJ29I?t=7 20
Van der Waals (Secondary) Bonding
• Arise from quantum mechanical effects
– Electric dipoles form
– Atoms/molecules with a “dipole moment” attract each other
• 3 types:
– London forces (between 2 induced dipoles)
– Debye interaction (between induced & permanent dipole)
– Keesom interactions/hydrogen bonding (between 2
permanent dipoles)
21
Van der Waals - Examples
https://youtu.be/x8PpLlKI2yo?t=10 22
Atomic Spacing, Interatomic Forces, Elastic Modulus
dE
F
dr
dF
K
da
23
Linear Elastic Deformation
• Range of strain in which deformation is reversible and stress & strain are
proportional
Hooke’s law
  E
E: elastic modulus or
Young’s modulus (GPa or psi)
24
Binding Energy vs. Properties
• Melting Temperature
• Coefficient of Thermal Expansion
r
o
Energy
Eo
Eo
http://www.mtarr.co.uk/courses/topics/0197_cte/index.html 25
Binding Energy vs. Coefficient of Thermal
Expansion (CTE)
26
Polymorphism (Allotropes)
Diamond Graphite
27
What is nanotechnology?
28
Why is carbon in the form of diamond one of the hardest materials known,
whereas carbon in the form of graphite is very soft and can be used as a solid
lubricant?
29
How is silica, which is the main component of sand, used to make optical
fibers?
30
The Science and Engineering of Materials, SI, 7e Askeland/Wright
Chapter 1
Introduction to
Materials Science and
Engineering
© 2016 Cengage Learning Engineering. All Rights Reserved. 2

Chapter Learning Objectives

 Understand primary concepts which define
Materials Science and Engineering (MSE).
 Understand the role of materials science in the
design process.
 Classify materials by properties.
 Classify materials by function.

Chapter Outline
Sections
 1-1 What is Materials Science and Engineering?
 1-2 Classification of Materials
 1-3 Functional Classification of Materials
 1-4 Classification of Materials Based on Structure
 1-5 Environmental and Other Effects
 1-6 Materials Design and Selection

Useful Video
 Material Classifications: Metals, Ceramics, Polymers and Composites
https://www.youtube.com/watch?v=IPbwBOsKZ7E (youtube.com)

1-1 What is Materials Science and Engineering?
 MSE is an interdisciplinary field concerned with

inventing new materials/devices & improving
existing materials by better understanding
microstructure-composition-synthesis-processing
relationships.
 Some relevant terms are:

 Composition: Chemical make-up of a material
 Structure: Arrangement of atoms seen at different
levels of detail
 Synthesis: How materials are made
 Processing: How materials are shaped into useful
components
 The structure of materials has a profound effect

on their properties.
 The microstructure is the structure at the

microscopic scale.
 The materials science and engineering

tetrahedron is a method of analysis used to
consider a situation from the MSE perspective.



1-2 Classification of Materials
 There are many ways to classify materials. One

way is to describe the following 5 classes:
 Metals & Alloys
 Ceramics, Glasses & Glass-ceramics
 Polymers (plastics)
 Semiconductors
 Composite materials
 Table 1-1 lists some materials, applications &

properties of each of the above 5 categories.



Metals & Alloys
• e.g., Al, Mg, Zn,
Fe, Ti, Cu, Ni
• Good electrical
and thermal
conductivity
• High stiffness (elastic modulus)
• Large ductility / good formability
• Good shock resistance
• Structural / load-bearing applications
13
Ceramics, Glasses, and Glass-Ceramics
• e.g., SiC, Si3N4, ZrO2, Al2O3, sand, rocks
• Non-metallic, inorganic materials
• Poor thermal/electrical conductors
• Very high melting point
• Strong in compression
• High stiffness (elastic modulus)
• Hard and brittle
• Density is often low (due to porosity)
• Computer chips, “glass,” screens, sensors,
actuators, wireless communications, spark plugs,
electrical insulations, coatings, pottery, paints,
plastics, bricks, bathroom fixtures
14
Polymers
• e.g., rubber, adhesives,
“plastics”, nylon, PE
• Typically organic materials
(hydrocarbons) produced
via “polymerization”
• Poor electrical and thermal conductors
• Low strength (can have good strength-to-weight ratios)
• Low melting points
• Low stiffness (elastic modulus)
• Wide range of ductility
• Bulletproof vests, ropes, liquid crystal displays, clothes,
toys, plastic bottles/bags/containers, paints, adhesives
15
Semiconductors
• e.g., Si, Ge, GaAs

• Electrical conductivity between metals and ceramics
• In some, the level of conductivity can be controlled
(transistors and diodes for integrated circuits)
• Enabled the “Information Age”
• Computers, electronics
16
Composites
• e.g., concrete, plywood, fiberglass, abalone shell,
plants, teeth
• Formed from two or more materials (or phases),
producing properties not found in a single material
• Can be combinations of lightweight, strong, ductile,
temperature-resistant, shock-resistant, hard
• Aerospace applications, sports equipment, load-
bearing applications, multifunctional applications
17
Mechanical Properties of Materials
18
 Materials in each group have properties. We are

often interested in load-bearing, or mechanical
properties of materials.
 Some relevant terms to mechanical properties

are:
 Stress: Load or force per unit area
 Strain: Elongation or change in dimension divided
by the original dimension
 Strain is caused by stress. If strain goes away

after stress is removed, it is elastic. Otherwise it
is called plastic strain.
1-3 Functional Classification of Materials
 We can also classify materials according to their

major function.
 Some categories and their applications are:

 Aerospace: Fuselage & wings of aircrafts
 Biomedical: Artificial organs, stents, prosthetics
 Electronic: Integrated circuits for computer chips
 Energy/Environmental: Nuclear fuel, fuel cells
 Magnetic: Hard drives, transformer cores
 Photonic/Optical: Optic fibers, LCD displays
 Smart Materials: Sensors, photochromic glasses
 Structural: Buildings, bridges, etc.

1-3 Functional Classification of Materials

1-4 Structure-Based Classification of Materials
 Materials can be classified based on their

structure, seen at various scales. Some
classifications are:
 Crystalline: atoms arranged in a periodic fashion.
 Amorphous: atom arrangement lacks long-range
order
 Single crystals: crystalline materials consisting of a
single crystal
 Polycrystalline: crystalline materials consisting of
multiple crystals or grains.

1-5 Environmental and Other Effects
 The structure-property relationships in materials

fabricated into components are often influenced
by the surroundings in which use takes place.
 Some common environmental conditions to

watch out and design for are:
 Temperature: High temperatures can cause
metals/alloys to suddenly lose their strength.
 Corrosion: The material may form oxides (e.g. rust)
 Fatigue: Repeated loading/unloading may cause micro-
cracks in the material which grow over time.
 Strain Rate: How quickly a material is stretched may
dictate whether it snaps or elongates

1-6 Materials Design and Selection
 A number of factors must be considered when

designing/selecting a material for an application.
Some basic engineering considerations are:
 The material must possess requisite mechanical &
physical properties.
 It must be capable of being processed or
manufactured into the desired shape.
 It must be economical for the application.
 It must be environmentally friendly.
 Often, multiple materials can be used in a

situation, and engineers must consider various
trade-offs to determine the optimal choice.
Summary
 MSE is an interdisciplinary field concerned with

inventing new materials/devices & improving
existing materials by better understanding
microstructure-composition-synthesis-processing
relationships.
 Engineered materials are ones

designed/fabricated by using MSE principles.
 Engineered material properties depend on

composition, structure, synthesis & processing.
Performance/cost ratio is an important index.

Summary
 Material structure refers to atom/ion
arrangement.
 Material properties vary strongly with structure,

even if the composition is the same.
 Materials classes are: metals & alloys, ceramics,

glasses & glass-ceramics, polymers, composites,
semiconductors.
 Metals/alloys have good: strength, ductility,

formability, electrical & thermal conductivities.
26
© 2016 Cengage Learning Engineering. All Rights Reserved.
Summary
 Metal/alloy applications include automotives,

buildings, bridges, aerospace, etc.
 Ceramics are inorganic crystalline materials.

They are: strong, good electrical/thermal
insulators, resistant to high temperatures and
corrosion, mechanically brittle.
 Modern ceramics are used in microelectronic and

photonic technologies.
27
Summary
 Glasses are amorphous, inorganic solids typically

derived from molten liquids. Tempering increases
glass strength.
 Glass-ceramics are formed by annealing glasses

to nucleate small crystals to improve resistance
to fracture and thermal shock.
 Polymers have: low strength, good corrosion

resistance, good electrical/thermal insulation,
favorable strength to weight ratio, low suitability
for high temperature use.
28
Summary
 Polymers may be either ductile or brittle,

depending on structure, temperature, strain rate.
 Semiconductors have unique electrical/optical

properties essential for manufacturing electronic
and communication devices.
 Composites are made of 2 or more different

materials, to provide unique combinations of
physical & mechanical properties not found in
single materials.
29
Summary
 Functional classification of materials includes

aerospace, biomedical, electronic, energy &
environmental, magnetic, optical (photonic), and
structural materials.
 Materials can also be classified as amorphous or

crystalline (single crystal or polycrystalline).
 Material properties may depend on temperature,

level/type of applied stress, strain rate,
oxidation/corrosion, and other environmental
factors.
30
Summary
 Selecting materials possessing needed properties

which can be economically and safely
manufactured into products is a complex
process, requiring knowledge of structure-
property-processing-composition relationships.
31
Have you ever wondered? Chapter 4
• Why do silicon crystals for semiconductor wafers contain trace
“dopants”, e.g., P & B?
• What makes steel considerably harder and stronger than pure
Fe?
• Why do we use high-purity Cu as a conductor in electrical
applications?
• Why do FCC metals tend to be more ductile than BCC and HCP
metals?
• How can metals be strengthened?
Theoretical vs. Experimental Strength
Experimental
strengths are much
lower because of
defects!
3
Types of Imperfections
• Substitutional atoms
• Interstitial atoms
• Vacancy atoms
• Dislocations
• Grain Boundaries
• Crack, voids
4
Point Defects (0D)
• Point defects are localized disruptions in otherwise perfect atomic/ionic
arrangements in a crystal structure.
‒ Effects of these disruptions are often felt over the surrounding region.
• Impurities are elements or compounds that are introduced

“unintentionally” due to processing conditions (O2 in Si crystals).
• Dopants are deliberately introduced to affect properties.

‒ Carbon in iron to make steel.
‒ Phosphorus and Boron in Si to improve electrical properties
5
Point Defects (0D)
6
Vacancies
• A vacancy (found in all crystalline materials) is
produced when an atom/ion is missing from its
normal site in the crystal structure.
• Vacancies increase entropy, and thus increase the
thermodynamic stability of crystalline materials.
• Vacancies are key in determining how quickly atoms/ion diffuse
(move around) in a solid material.
• The vacancy concentration in a material follows an Arrhenius type
behavior:
7
Interstitials
• An interstitial defect is formed when an extra
atom/ion is inserted into the crystal structure at a
normally unoccupied position.
– Can be impurities or intentionally introduced.
• Distorts the surrounding lattice, thus generating
localized stresses and strains.
– See Example 4-3 in the textbook.
• This induced stress often strengthens the material.
8
Equilibrium Concentration of Point Defects
• Equilibrium concentration varies with temperature!
Number of vacancies Activation energy (energy required

to produce one mole of vacancies)
Nv - Qv
Number of potential =exp
defect sites N kT
Boltzmann's constant Temperature
(1.38 x 10 -23J/atom-K)
(8.62 x 10-5eV/atom-K)
Each lattice site
is a potential There are fewer self interstitials:
vacancy site QSI>>QV 9
Computation of Equilibrium Vacancy
Concentration
Find the equilibrium number of vacancies in 1 m3 of Cu at 1000°C.
Given:
3
ρ = 8.4 g /cm A Cu = 63.5 g/mol
Q v = 0.9 eV/atom NA = 6.022 x 1023 atoms/mol
10
Computation of Equilibrium Vacancy
Concentration
11
Substitutional Defects
• A substitutional defect is formed when one
lattice atom/ion is replaced by a different
atom/ion.
‒ Can be impurities or intentionally
introduced.
• Substitutional atoms have different sizes
from their host atoms and thus distort the
surrounding lattice.
‒ This induced stress often strengthens the
material.
12
Solid Solution Strengthening
Cu alloys
13
Frenkel and Schottky defects
A Frenkel defect is a vacancy- A Schottky defect is unique to ionic materials. To

interstitial pair formed when a lattice preserve electrical neutrality in ionic materials, for
atom jumps to an interstitial site, any vacancies, a stoichiometric number of cations &
leaving behind a vacancy. anions must be removed from the lattice.
•e.g., in MgO, one Mg2+ vacancy and one O2-
vacancy constitute a Schottky pair.
•e.g., in ZrO2, for one Zr4+ vacancy, there must
be two O2- vacancies. 14
Dislocations (1D) – Why do we care?
• Materials contain huge numbers of dislocations.
• Dislocations influence electronic/optical properties.
• Dislocations provide a mechanism for plastic deformation,
particularly in metals.
• Slip (due to dislocation motion) explains why the strength of
metals is lower than that predicted from bonding alone.
• Slip provides ductility in metals.
- Important for metalworking (shaping of metals).
• Mechanical properties can be controlled by blocking movement
of dislocations.
15
Dislocations (1D)
• Dislocations are line imperfections in an otherwise perfect
crystal
• They are typically introduced during processing (e.g., solidification) or
when the material is plastically deformed
• An edge dislocation can be illustrated by slicing partway
through a perfect crystal, spreading the crystal apart, and partly
filling the cut with an extra half plane of atoms
• A screw dislocation can be illustrated by cutting partway
through a perfect crystal and then skewing the crystal by one
atomic spacing
• A mixed dislocation has both an edge and screw component.
16
Dislocations (1D) – Edge Dislocations
Jia et al. (2005)
The Burgers vector is perpendicular

to the dislocation line
http://www.mrl.ucsb.edu/~edkramer/LectureVGsMat100B/99Lecture11VGs/DislocationBurgersVector.jpg
17
Dislocations (1D) – Screw Dislocations
SiC
Verma et al. (1951)
Dislocation line
The Burgers vector is parallel to

the dislocation line
https://inspirehep.net/record/1094489/files/figure1b.png 18
Another Schematic of a Screw Dislocation
19
Mixed Dislocations
20
Observations of Dislocations
Surface Etching TEM
https://youtu.be/EXbiEopDJ_g 21
Slip
• Plastic deformation of crystalline materials usually
occurs by slip: the sliding of planes of atoms over
another, mediated by dislocation motion.
• Slip occurs on certain planes: slip planes, and in
certain directions: slip directions
– Usually closed packed planes and directions
– As a result, the flow stresses of crystals are
highly anisotropic
– Slip Plane: the plane which contains both the
dislocation line and the Burgers vector
https://www.youtube.com/watch?v=aA24ZVKL2YM 22
Dislocation Motion - Slip
Bubble Raft: https://youtu.be/iJIo8Nli3UY?t=227 23

Slip Systems
• Slip directions are almost always the crystallographic directions with the shortest
distance between like atoms (or ions), and the slip planes are usually the most
densely packed planes
• FCC Slip occurs on {111} planes (close-packed) in <110> directions (close-

packed)
- total of 12 slip systems in FCC
• For BCC & HCP there are other slip systems.
24
Slip Systems
FCC BCC
HCP
25
Other Factors that Influence Slip
• Dislocations do not easily move in materials with
covalent/directional bonds (brittle)
• Dislocations play almost no role in the deformation
of polymers
• Materials with ionic bonding are also resistant to
slip because dislocation movement disrupts charge
balance between cations & anions.
26
Stress and Strain
A0
F
Engineering stress  S 
A0
L
Engineering strain  e 
L0
27
Stresses Required for Slip
For slip (Peierls-Nabarro stress):
 kd 
  c exp   
 b 
 : shear stress
c, k : constants
d : interplanar spacing between adjacent slip planes
b :magnitude of Burgers vector
Edge Dislocation Screw Dislocation
https://youtu.be/HoRvTnsiaE8?t=123 28
Slip Geometry
We need to specify the orientation of the load with respect to that of the
slip planes and directions in the crystal
slip plane P
normal Ao
slip plane slip

A direction
29
Stress Required for Slip: Schmid’s Law
A0
A
cos 
Fr  F cos 
Fr F cos  F
r    cos  cos   r   cos  cos 
A A0 A0
cos  Note: λ+ϕ does not (usually) equal 90º 30
Schmid’s Law
A metal flows plastically when the resolved shear stress
acting in the plane and along the direction of slip reaches
a critical value:
 crss   0 cos  cos 
31
Example 4-9
32
Example 4-9
33
The Role of Crystal Structure on Plastic Flow
• Schmid’s law can be used to compare when plastic flow occurs in “nearly perfect”
single crystals.
• However, we usually have more complicated defect structures and polycrystalline
materials.
• But, we can still gain some insight.
– For instance, FCC metals have close-packed planes, so the critical resolved shear
stress is relatively low.
– BCC metals have no close-packed planes, so we need a much larger stress to
cause slip.
• Thus, BCC metals tend to have higher strength but lower ductility than FCC
metals.
– HCP metals have only 3 close-packed slip systems (and cannot “cross-slip”) so
they tend to be relatively brittle. 34
Interfacial / Surface / Planar Defects
35
How do Grain Boundaries Affect Properties?
Hall-Petch Equation: σy = σ0 + Kd-1/2

• We can increase a metal’s strength by reducing the grain size
(i.e., increase the amount of grain boundaries).
– Dislocations can only travel a short distance before stopping 36
Other Surface Defects Stacking Faults
Material (Exterior) Surface
ABCABCABC . . . becomes
ABCACABC
Small-Angle Grain Boundary (Tilt) Twin Boundary
37
Stacking Faults
FCC
The Importance of Defects
• Defects play an important role in controlling the mechanical properties of
materials (generally metals) by interfering with slip and strengthening the
material.
• Defects have less of an effect on the properties of ceramics, which are
dictated more by porosity
• Defects have less of an effect on the properties of polymers, which are
amorphous, and in which deformation primarily involves stretching,
rotation, and disentanglement of long chains.
39
• Strain hardening is the process of strengthening a material by deforming it,
which increases dislocation density.
• The effects of strain hardening can be reversed by heat treatment/annealing,
which decreases dislocation density and increases ductility.
• Solid-solution strengthening takes place when atoms/ions of a guest material
are incorporated into a host crystal structure.
• Grain-size strengthening occurs by increasing the number of grains, or
reducing the grain size.
40
• Point defects can also have a big effect on the optical, magnetic &
electrical properties of materials.
• In semiconductors, dopants are critical to achieving desired performance;
however, defects like dislocations negatively affect properties.
• Addition of small amounts of foreign atoms/ions in materials can also be
used to produce dramatic color changes in the original material e.g.,
colored glasses.
41
Have You Ever Wondered?
• Why do silicon crystals for semiconductor wafers

contain trace “dopants”, e.g., P & B?
42
• What makes steel considerably harder and stronger

than pure Fe?
43
• Why do we use high-purity Cu as a conductor in

electrical applications?
44
• Why do FCC metals tend to be more ductile than BCC

and HCP metals?
45
• How can metals be strengthened?
46
Have You Ever Wondered? Chapter 5
• Aluminum oxidizes more easily than iron, so why do we
say that aluminum normally does not “rust?”
• How are the surfaces of certain steels hardened?
• Who invented the first contact lens?
• How does a tungsten filament in a light bulb fail?
2
What is Diffusion?
https://www.youtube.com/watch?v=eYnDTkVZyZ8
3
What is Diffusion
▪ Diffusion is the net flux of any species (ions/atoms/electrons/holes, etc.)
▪ Its magnitude depends on the concentration gradient and temperature.
Figs. 5.1,
Callister &
Rethwisch 10e. 4
Concentration Profiles
What is Diffusion
▪ Hundreds of applications in engineering
▪ Carburization for Steel Surface Hardening
▪ Dopant Diffusion for Semiconductor Devices
▪ Conductive Ceramics
▪ Creation of Plastic Beverage Bottles
▪ Oxidation of Aluminum
▪ Thermal Barrier Coatings for Turbine Blades
▪ Optical Fibers & Microelectronic Components
5
Rates of Diffusion
• Atoms/ions possess thermal energy, and thus will move around.
• The ability of atoms/ions to diffuse increases as temperature increases
through an Arrhenius-type equation:
 Q 
Rate  c0 exp   
 RT 
c0 : constant
 cal J 
R: gas constant 1.987 or 8.314 
 mol  K mol  K 
T : absolute temperature (K )
 cal J 
Q : activation energy required to cause atoms to move  or  6
 mol mol 
Mechanisms for Diffusion: Self-Diffusion
• Self-diffusion: random movement of atoms within an essentially
pure material. Atoms jump around from one lattice position to
another (e.g., by exchanging with a vacancy).
7
Mechanisms for Diffusion: Interdiffusion
• Interdiffusion: diffusion of different atoms in opposite directions.
8
Mechanisms of Interdiffusion
Vacancy diffusion: When an atom leaves a
lattice site to fill another one, it creates a
vacancy. Thus, diffusion involves
counterflows of atoms and vacancies.
Interstitial diffusion: This occurs when a

small atom/ion moves from one interstitial
site to another. Generally, smaller interstitial
species diffuse faster.
9
Activation Energy for Diffusion
• A diffusing atom must squeeze past other atoms to reach a new
position, which requires activation energy.
• Thermal energy supplies atoms/ions with
the energy needed to overcome this
barrier.
• A low activation energy indicates easy
diffusion.
• Generally, interstitial atoms require a
lower activation energy than
substitutional atoms
10
Rate of Diffusion: Fick’s 1 st Law
• The flux, J, is the rate at which atoms, ions, particles or other species
diffuse in a material.
– It is the number of atoms (or other species) passing through a plane of unit
are per unit time.
• Fick’s first law describes the net flux of atoms:
dc
J  D
dx
 cm 2 
D : diffusivity or diffusion coefficient  
 s 
dc  atoms 
: concentration gradient  3 
dx  cm  cm  11
Concentration Gradient and Profiles
• The concentration gradient acts as
the main thermodynamic driving
force for diffusion.
12
Example
• A 0.05 cm layer of MgO is deposited between layers of Ni and Ta to provide a
diffusion barrier that prevents reactions between the two metals. At 1400oC, Ni ions
diffuse through the MgO to the Ta layer. Determine the number of Ni ions passing
through the MgO per second. At 1400oC, the lattice parameter of Ni is 3.6 x 10-8 cm
and the diffusion coefficient is 9 x 10-12 cm2/s. Ni has FCC structure.
• Also, calculate/estimate the time required for 1 µm (10-4 cm) of Ni to be removed.
13
Example
14
Example
15
Temperature and Diffusivity
• Diffusion kinetics strongly depend on temperature. The diffusivity
(diffusion coefficient), D, relates to temperature through an
Arrhenius-type equation:
 Q 
D  D0 exp   
 RT 
D0 : constant (pre-exponential term)
 cal J 
R: gas constant 1.987 or 8.314 
 mol  K mol  K 
T : absolute temperature (K )
 cal J 
Q : activation energy required for diffusion  or  16
 mol mol 
Other Factors Affecting Diffusion
• In covalently bonded materials, the D value is low because Q
(activation energy) is high.
– Consistent with their high bond strength.
• Ionic materials have high Q because ions can only diffuse into
sites having same charge.
– Ions must squeeze past adjoining ions, pass by a region of opposite
charge, and move a relatively long distance.
17
Other Factors Affecting Diffusion
• Interstitial diffusion occurs faster than vacancy or substitutional
diffusion
• Close-packed crystal structures have higher Q than open crystal
structures
• Q is higher for materials with high melting points (i.e., strong
bonds)
• Cations diffuse faster than anions due to size
• Ionic diffusion also transports charge, thus enabling conductivity
18
Reference Diffusion Data
19
https://www.youtube.com/watch?v=Aa8WOKGjm4s 20
21
22
Types of Diffusion
– Volume diffusion: Slow, high activation energy (Q)
– Grain boundary diffusion: Faster, lower Q
– Surface diffusion: Fastest, lowest Q
https://www.youtube.com/watch?v=lm9Zr3z3iWA 23
Time in Diffusion
• Diffusion requires time
• Controlling the diffusion time during processing can be the key to
producing uniform or unique (non-equilibrium) properties &
microstructures.
– e.g., times for heat treatments can be reduced by using higher
temperatures or shorter diffusion distances (e.g., thicknesses)
– e.g., steels quenched rapidly from high temperatures can prevent diffusion
and form nonequilibrium (strong) structures
24
Polymers - Permeability
• In polymers, we are most concerned with the diffusion of atoms or
small molecules between the long polymer chains, called
permeability.
• Denser polymers have lower permeability.
• Permeability is higher in amorphous polymers than in crystalline
polymers.
25
Fick’s 2nd Law
• Add in conservation of mass (diffusing species):
c J

t x
dc
• Combine with Fick’s 1st Law: J   D
dx
c   c  c  c2
 D   D 2 
t x  x  t  x 
26
One Solution to Fick’s 2 nd Law
• The solution to the previous equation depends on the boundary
and initial conditions. For a 1D model, one solution is:
x
cs  cx  x  2
cs  c0
 erf   , where erf  x   
 0
exp   y 2
 dy
 2 Dt 
27
For Reference: Error Function Values
28
Example
Devices such as transistors are made by doping semiconductors.
The diffusion coefficient of phosphorus (P) in Si is D = 6.5 x 10-13
cm2/s at a temperature of 1100°C. Assume the source provides a
surface concentration of 1020 atoms/cm3 and the diffusion time is one
hour. Assume that the silicon wafer initially contains no P.
Calculate the depth at which the concentration of P will be 1018
atoms/cm3.
State any assumptions you have made while solving this problem.
29
Example
30
Example
31
Looking forward: Why do we care about
diffusion?
• Diffusion is critical in many materials processing techniques
• Sintering
• Powder metallurgy
• Diffusion bonding
• Heat treatments
• Strengthening mechanisms
32
Diffusion and Materials Processing
• Melting and Casting
– Diffusion plays an important role in the solidification of metals,
alloys, and glasses
– e.g., growth of doped single silicon crystals and non crystalline
organic glasses
33
Diffusion and Materials Processing: Sintering
• Sintering is a high-temperature treatment that joins particles into a solid mass
by reducing pore space between them.
• Lattice diffusion from the bulk into the neck region causes densification.
• e.g. manufacturing of ceramics & metal superalloys.
34
Diffusion and Materials Processing: Grain Growth
• Grain growth involves the movement of
grain boundaries, permitting larger
grains to grow at the expense of smaller
grains.
– Similar to what happens with froth
• The driving force is the reduction in
grain boundary area.
• Grain growth usually reduces strength,
and can also affect optical, magnetic, Al2O3 – 15 hours at 1350°C Al2O3 – 30 hours at 1350°C
and electrical properties.
35
Summary: Factors Influencing Diffusion
Diffusion is FASTER for... Diffusion is SLOWER for...
• open crystal structures • close-packed structures
• lower melting T materials • higher melting T materials
• materials with secondary • materials with covalent

bonding bonding
• smaller diffusing atoms • larger diffusing atoms
• cations • anions
• lower density materials • higher density materials

36
▪ Aluminum oxidizes more easily than iron, so why do we say
that aluminum normally does not “rust?”
37
▪ How are the surfaces of certain steels hardened?
38
▪ Who invented the first contact lens?
39
 How does a tungsten filament in a light bulb fail?
40
Have you ever wondered? Chapter 3
• What is amorphous silicon, and how is it different from the
silicon used to make computer chips?
• What are liquid crystals?
• If you were to pack a cubical box with uniform-sized spheres,

what is the maximum packing possible?
• How can we calculate the density of different materials?
2
Atomic Arrangements
Short Range Order:
Water Vapor
No Order: Ar gas
Long Range Order: Most Metals,

Many Ceramics, Some Polymers
Short Range Order:

Silicate Glass
3
Crystalline vs. Amorphous (SiO 2)
Crystalline Material: Amorphous Material:
Long-Range Order Short-Range Order
4
Amorphous vs. Crystalline Polymers
5
Liquid Crystals
Liquid crystals are (typically polymeric) materials that

behave as amorphous materials (liquid-like) in one state
but can form (usually small) crystalline regions in
response to an external stimulus, e.g., electric field or
temperature change.
https://youtu.be/MuWDwVHVLio?t=15 6
Single-Crystal vs. Polycrystalline
Single-Crystal (Si) Polycrystalline (steel)
7
Crystallography: Lattice and Basis
• A lattice is a collection of points arranged in a

periodic pattern, such that each lattice point’s
surroundings are identical.
• A basis is a group of one or more atoms arranged
in a particular way with respect to each other and
associated with each lattice point.
• Crystal structure = lattice + basis.
8
Lattice and Basis: 1D Example
9
2D Lattices
10
3D Lattices – Bravais Lattices
http://home.iitk.ac.in/~sangals/crystosim/crystaltut.html 11
3D Lattices (Additional Views)
12
Characteristics of the Crystal Systems
The lattice parameters (axial lengths) and interaxial angles are
used to classify unit cells for each of the 7 crystal systems.
13
Unit Cell
• A unit cell is a subdivision of the lattice (i.e., a repeat unit) that still
retains the overall characteristics of the entire lattice.
14
Number of Atoms Per Unit Cell
• Lattice points (and thus atoms) can be shared by more than one unit
cell.
• The number of atoms per unit cell depends on the number of atoms
on corners, faces, enclosed within the cell, etc.
15
Example – Cesium Chloride Structure
Cesium chloride (CsCl) is an ionic, crystalline compound. A unit cell of the CsCl
crystal structure is shown below. Chlorine anions are located at the corners of
the unit cell, and a cesium cation is located at the body-centered position of
each unit cell. Describe this structure as a lattice and basis and also fully define
the unit cell for cesium chloride (how many atoms and what type / where are
they located?).
16
Example – Cesium Chloride Structure
17
Crystal Structures of Metals
Three simple crystal structures
Face-centered cubic (FCC)
Body-centered cubic (BCC)
Hexagonal close-packed (HCP)
Crystal structure affects the physical properties

e.g., density, slip systems, ductility, . . .
52/81 metals are FCC or HCP

21/81 are BCC; 8/81 are others.
18
Simple Cubic (SC) Crystal Structure
• Centers of atoms located at the eight corners of a cube
• Rare due to low packing density (only Po has this structure)
• Close-packed directions are cube edges. • Coordination # = 6
(# nearest neighbors)
ex: Po
Adapted from Fig. 3.3, Callister & Rethwisch 10e.

19
Close-Packed Directions
Directions within the unit cell in which the atoms are in continuous
contact are called close-packed directions.
In simple structures, we can use these directions to calculate the
relationship between the apparent size of the atom and the size of
the unit cell.
20
Coordination Number & Packing Factor
• The coordination number is the

number of atoms touching a given atom,
or the number of its nearest neighbors.
• The packing factor is the fraction of

space occupied by atoms (modeled as
hard spheres) within the unit cell:
21
Definitions
Coordination Number
Atomic Packing Factor (APF)
22
Atomic Packing Factor (APF)
for Simple Cubic
volume
atoms
atom
unit cell
a
APF =
volume
unit cell
close-packed
directions
Unit cell contains atom =

23
Body-Centered Cubic Structure (BCC)
• Atoms located at 8 cube corners with a single atom at cube center.
--Note: All atoms in the animation are identical; the center atom is shaded
differently for ease of viewing.
ex: Cr, W, Ta, Mo • Coordination # = 8
atoms/unit cell: 24
Atomic Packing Factor: BCC
• APF for the body-centered cubic structure =
volume
R atoms
atom
a
unit cell
APF =
volume
unit cell 25
Face-Centered Cubic Structure (FCC)
• Atoms located at 8 cube corners and at the centers of the 6 faces.
--Note: All atoms in the animation are identical; the face-centered atoms
are shaded differently for ease of viewing.
ex: Al, Cu, Au, Pb, Ni, Pt, Ag • Coordination # = 12
atoms/unit cell:
26
Atomic Packing Factor: FCC
• APF for the face-centered cubic structure =
For close-packed directions:
volume
atoms
atom
unit cell
a
APF = =
Unit cell contains: volume

= atoms/unit cell unit cell 27
Theoretical Density for Metals, 
Density =  = =
 =
where n = number of atoms/unit cell
A = atomic weight
VC = Volume of unit cell = a3 for cubic
NA = Avogadro’s number
= 6.022 x 1023 atoms/mol
28
Cr has BCC crystal structure
A = 52.00 g/mol
R = 0.125 nm
n = 2 atoms/unit cell
R
a
= =
ρactual = 7.15 g/cm3

29
Densities Comparison for Four Material Types
In general
ρ metals > ρ ceramics > ρ polymers
Metals have...
• close-packing
(metallic bonding)
• often large atomic masses
Why? Ceramics have...
• often lighter elements
Polymers have...
• low packing density
(often amorphous)
• lighter elements (C,H,O)
Composites have...
• moderate to low densities
30
Atomic Packing Factor: HCP
One atom at (0, 0, 0) & one atom at (2/3, 1/3, 1/2)
In metals with an ideal HCP structure: c0/a0 = (8/3)1/2 = 1.633
Packing factor = 0.74
31
Atomic Packing Fraction and Density
Definition Others
volume of atoms in one unit cell

74% for FCC
APF 
volume of the unit cell 68% for BCC
74% for HCP
52% for SC
weight of atoms in one unit cell
Varies with
 atomic
volume of the unit cell
number
https://youtu.be/PaGJwOPg2kU?t=101 32
Point Coordinates
A point coordinate is a lattice position in a unit cell
Determined as fractional multiples of a, b, and c unit cell edge lengths
z
a, b, c 1. Lattice position is
c a, b, c
2. Divide by unit cell edge lengths
(a, b, and c) and remove commas
y
a b
x 3. Point coordinates for unit cell corner are 111
33
Crystal Directions – Miller Indices
1. Determine the coordinates of two points
that lie in the direction of interest.
2. Subtract the coordinates of the “tail” from
the “head.”
3. Clear fractions and reduce to lowest
integers
4. Enclose in square brackets [ ]. For
negative numbers, put a bar over the
number.
34
Example
35
Example
B
Example
C
Exercise
Draw the following direction vectors in the following cubic unit cells.
Indicate the axes and origin.
38
Common Crystallographic Directions
Adapted from Fig. 3.7, Callister

& Rethwisch 10e.
39
Crystal Directions – Some Observations
• Directions are vectors. Thus, a direction
and its negative are not identical.
- e.g., [100] is not equivalent to [100]
• A direction and its multiple are identical.

- e.g., [100] is equivalent to [200]
• Certain groups of directions are

equivalent, depending on the crystal
system. We refer to these equivalent
directions as a family of directions.
40
Families of Directions
[UVW] <UVW>
Atomic spacing along each direction is the same

<110> in cubic systems:
110 , 101 , 011 , 110 , 101 , 011
110 , 101 , 011 , [110], [101], [011]
41
Linear Density of Atoms (LD)
LD = number of atoms centered on direction vector
length of direction vector
ex: linear density of Al in [110] direction
There are 2 half atoms and 1 full atom

= 2 atoms centered on vector
# atoms
a
LD   
a = 0.405 nm length
42
Crystallographic Planes – Miller Indices
1. If plane passes through selected origin, establish
a new origin in another unit cell
2. Read off values of intercepts of plane
(designated A, B, C) with x, y, and z axes in
terms of a, b, c
3. Take reciprocals of intercepts
4. Normalize reciprocals of intercepts by multiplying
by lattice parameters a, b, and c
5. Reduce to smallest integer values
6. Enclose resulting Miller Indices in parentheses,
no commas i.e., (hkl)
43
Crystallographic Planes
Example Problem I
x y z z
1. Relocate origin
c
2. Intercepts
3. Reciprocals
4. Normalize y
a b
5. Reduction
x
6. Miller Indices
44
Crystallographic Planes
Example Problem II
x y z z
1. Relocate origin
2. Intercepts c
3. Reciprocals
4. Normalize y
a b
5. Reduction
x
6. Miller Indices
45
Exercise
Sketch the following planes within the unit cell. Draw one cell for each
solution. Show new origin and ALL necessary calculations.
(111) (203)
46
Common Crystallographic Planes
Adapted from Fig. 3.11,

Callister & Rethwisch 9e.
47
Crystal Planes – Some Observations
• Unlike directions, planes and their negatives are identical because
they are parallel.
– e.g., 020 is equivalent to 020
• Unlike directions, planes and their multiples are not identical.

– e.g., 100 is not equivalent to 300
• Certain groups of planes are equivalent, depending on the crystal

system. We refer to these equivalent planes as a family of planes.
48
Families of Planes
• (hkl) {hkl}
Planes that have the same atomic packing
– {110} in cubic systems:
110 , 101 , 011 , 110 , 101 , 011
49
Additional Resources and Exercises
Indexing crystallographic planes
http://www.doitpoms.ac.uk/tlplib/miller_indices/lattice_index.php
Draw the (122) plane in a cubic unit cell

http://www.doitpoms.ac.uk/tlplib/miller_indices/draw_lattice.php
Quiz
http://www.doitpoms.ac.uk/tlplib/miller_indices/questions.php
Family of planes demo

http://www.doitpoms.ac.uk/tlplib/miller_indices/lattice.php
50
Miller Indices for Hexagonal Unit Cells
• A special set of Miller-Bravais indices
with four axes (hkil) has been devised
for hexagonal unit cells due to their
unique symmetry.
• We can use either a 3-axis (hkl) or a
4-axis (hkil) system for the HCP cells.
• h + k = -i due to redundancy of the 4-
axis system
51
Crystallographic Planes (HCP)
For hexagonal unit cells a similar procedure is used
Determine the intercepts with the a1, a2, and z axes, then determine the Miller-Bravais
Indices h, k, i, and l
z
example a1 a2 c
1. Relocate origin – not needed
2. Intercepts a ∞a c
3. Reciprocals 1/a 1/∞a 1/c
a2
4. Normalize a/a a/∞a c/c
1 0 1
a3
5. Reduction h=1 k=0 l=1
6. Determine index i = -(h + k) i = -(1 + 0) = -1 a1
7. Miller-Bravais Indices
52
Close Packed Direction and Planes
53
Planar Density of Atoms (PD)
PD = number of atoms centered on a plane
area of plane
2D repeat unit ex: planar density of (100) plane of BCC Fe
4
a R
3
# atoms
PD   
Radius of iron,
R = 0.1241 nm area
54
Isotropy and Anisotropy E of Single Crystal
Cu (FCC)
• Material properties can vary with
direction. If this is the case, the material
is anisotropic.
• If a material’s properties are identical in
all directions, the material is called
isotropic.
• Many polycrystalline materials are effectively isotropic,
because the random orientation of grains cancels out
the anisotropy of individual grains. 55
Interstitial Sites
Interstitial sites are locations FCC FCC - tetrahedral FCC - octahedral
(small holes) between the host
atoms/ions into which smaller
atoms/ions may be placed.
e.g., cubic, octahedral, and
tetrahedral sites.
56
Interstitial Sites and Ionic Materials
57
Crystal Structure of Ionic Materials
• Ionic Radii: Anions (larger) occupy the lattice positions,

while cations (smaller) occupy interstitial sites.
- Appendix B: atomic and ionic radii of elements
• Electrical Neutrality: The overall material must be neutral,

so the coordination numbers of the anions and cations
need to be related to their valence.
58
Ceramic (Ionic) Structures
https://youtu.be/PgSRAsgrKmg?t=2 59
Other Fun Crystalline Structures
Crystalline polyethylene Diamond –

holoNqrC' protein
- orthorhombic FCC -
monoclinic
covalently
large basis
bound
60
How Do We Know about These Structures?
• A crystal structure can be analyzed using x-ray diffraction (XRD).
• A beam of x-rays can have a wavelength on the same order of
magnitude as typical atomic spacings.
• Upon striking a material, x-rays are scattered.
• Most cancel out (annihilate) but ones that strike certain crystallographic
planes at specific angles are constructively reinforced (diffract)

sin  
2d hkl
a0
d hkl 
h2  k 2  l 2 61
• What is amorphous silicon, and how is it different from

the silicon used to make computer chips?
62
• What are liquid crystals?
63
• If you were to pack a cubical box with uniform-sized

spheres, what is the maximum packing possible?
64
• How can we calculate the density of different materials?
65

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Have you ever wondered?

• Why is carbon in the form of diamond one of the hardest

• How is silica, which is the main component of sand, used to

Grain Size, Hall-Petch Equation: σy = σ0 + Kd-1/2

Atomic number: number of protons

• Secondary bonding – van der Waals

• Melting point highly correlated with bond energy

• Elastic modulus correlated with bond energy

© 2016 Cengage Learning Engineering. All Rights Reserved. 2

Chapter Learning Objectives

© 2016 Cengage Learning Engineering. All Rights Reserved. 3

© 2016 Cengage Learning Engineering. All Rights Reserved. 4

© 2016 Cengage Learning Engineering. All Rights Reserved. 5

1-1 What is Materials Science and Engineering?

 MSE is an interdisciplinary field concerned with

 Some relevant terms are:

1-1 What is Materials Science and Engineering?

 The structure of materials has a profound effect

 The microstructure is the structure at the

 The materials science and engineering

© 2016 Cengage Learning Engineering. All Rights Reserved. 7

1-1 What is Materials Science and Engineering?

© 2016 Cengage Learning Engineering. All Rights Reserved. 8

© 2016 Cengage Learning Engineering. All Rights Reserved. 9

1-2 Classification of Materials

 There are many ways to classify materials. One

 Table 1-1 lists some materials, applications &

© 2016 Cengage Learning Engineering. All Rights Reserved. 10

1-2 Classification of Materials

© 2016 Cengage Learning Engineering. All Rights Reserved. 11

1-2 Classification of Materials

© 2016 Cengage Learning Engineering. All Rights Reserved. 12

• e.g., Si, Ge, GaAs

1-2 Classification of Materials

 Materials in each group have properties. We are

 Some relevant terms to mechanical properties

 Strain is caused by stress. If strain goes away

1-3 Functional Classification of Materials

 We can also classify materials according to their

 Some categories and their applications are:

© 2016 Cengage Learning Engineering. All Rights Reserved. 20

1-3 Functional Classification of Materials

© 2016 Cengage Learning Engineering. All Rights Reserved. 21

1-4 Structure-Based Classification of Materials

 Materials can be classified based on their

© 2016 Cengage Learning Engineering. All Rights Reserved. 22

1-5 Environmental and Other Effects

 The structure-property relationships in materials

 Some common environmental conditions to

© 2016 Cengage Learning Engineering. All Rights Reserved. 23

1-6 Materials Design and Selection

 A number of factors must be considered when

 Often, multiple materials can be used in a

 MSE is an interdisciplinary field concerned with

 Engineered materials are ones

 Engineered material properties depend on

© 2016 Cengage Learning Engineering. All Rights Reserved. 25

 Material properties vary strongly with structure,

 Materials classes are: metals & alloys, ceramics,

 Metals/alloys have good: strength, ductility,

 Metal/alloy applications include automotives,

 Ceramics are inorganic crystalline materials.

 Modern ceramics are used in microelectronic and