ME 330 Engineering Materials

Lecture 4
Material Structure

Stephen D. Downing
Mechanical Science and Engineering
2001 - 2015 University of Illinois Board of Trustees, All Rights Reserved

This Lecture ...

ME 330 - Lecture 4

Interatomic Bonding
Crystalline vs. Amorphous
Crystals and Crystallographic planes
Metallic structures (BCC, FCC, HCP)
Single Crystal vs. Polycrystalline Structure

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Next Lecture ...

Theoretical Strength
Point Defects
Linear Defects
Planar Defects
Volume Defects
Microscopy

Please read chapter 4

ME 330 - Lecture 4

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Strength of Carbon
Graphite
Diamond
Nanotube

10 15 MPa
10 GPa
> 100 GPa

Why ?

ME 330 - Lecture 4

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Why Atomic Structure?

Atomic level structure can strongly influence material
performance
We found that modulus, melting point, coefficient of expansion
all depend on interatomic forces
Will now demonstrate how to understand properties based on
bonding potentials
Different bond types have different potentials

Constructionist approach
Look at most basic level to begin our understanding
Today well look (in detail) at:
How atoms pack together
How atoms bond together
See how these effect macroscopic properties

ME 330 - Lecture 4

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Atomic Bonding in Solids

Primary
Ionic
Covalent
Metallic

Secondary

Force

d
F( r )
dr

ro

Van der Waals

Hydrogen

Energy
(r)

Interatomic potential energies

Function of separation, r
Attractive - depends on bond
Repulsive - atomic scale overlap

Eo

Bonding energy (Eo) is strongly

dependent on bond type
Effect on modulus ???
Effect on thermal expansion ???
ME 330 - Lecture 4

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Ionic Bonding
Metal

Nonmetal

Na

Cl

Atomic
Structure

Cl-

Na+
Ions

Ionic

NaCl

Bond

ME 330 - Lecture 4

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Notes on Ionic Bonding

Repulsion Curve

1
A
r

ER

To be stable, all positive ions must be

near negative ions
Bond strength is equal in all directions
(nondirectional)
0
Energy considerations
Coulombic attractive force

Energy (r)

Repulsive force:
1
R n (n 8)
r
Generally, very high bonding energies
Typically hard, brittle, thermally and
electrically insulative
Ceramics

ME 330 - Lecture 4

r8

Separate Ions
Atoms

Electrostatic Attraction

EA
Stable

r8

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r
Cl-

Na+

Cl-

Na+

Cl-

Na+

Cl-

Na+

Cl-

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Covalent Bonding

Cl
H

CH4

Cl2

Two atoms share electrons - extra electron belongs to both

Bonding is directional - between atoms being bonded
Many interatomic bonds are partially ionic and covalent
Wider separation in periodic table more ionic

Ceramics, Metals, Polymer backbones

ME 330 - Lecture 4

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Widely variable properties

Energy
(r)

Covalent Potential
Repulsion Curve

ER

rn

Diamond
Hardest substance known
Very stiff, strong
Tmelt = 3550 C

Atoms
Electron Overlap Attraction

EA

Bismuth
Very soft
Weak
Tmelt = 270 C

Based on m & n

ME 330 - Lecture 4

rm

m n

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Metallic Bonding
e- M+ e M+
ee- e
e
M+ M+ M+
ee- eM+ M+ M+
e
e-

M+

M+

M+

M+

M+

M+

M+

M+

M+

M+

Ion Cores (M+)- net positive charge equal to total valence

Valence electrons (e-) drift through metal in electron cloud
Electrically shield ion cores
Physically hold cores together
Nondirectional bond
Metallic bonding potential similar to covalent (use same eqn.)
Wide variety of bonding energies and hence properties
Excellent conductors due to mobility of electron cloud
Metals and metallic alloys

ME 330 - Lecture 4

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Van der Waals Bonding

(n 12)

Sometimes called physical bonds to contrast with chemical (primary)

Much lower energy than primary bonds
Arise from electric dipoles Separation of + and - portions of atom - much weaker than ions
Bonding from attraction of + from one dipole to - of other dipole
Hydrogen bonding is special case when hydrogen is present
Strongest secondary bonding type
Polymeric interchain bonds

ME 330 - Lecture 4

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Atomistic Origins of Properties

dF
E

dr r ro

Force
F(r)

Modulus
Proportional to slope of forceseparation curve at equilibrium
separation distance

Atomic separation, r
Melting Temperature

Large Eo leads to high Tmelt

Coefficient of thermal
expansion

Energy
(r)

E0

ME 330 - Lecture 4

Large Eo leads to small

Deep narrow trough forces
large energy change for small
dimensional change

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Potentials & Properties

Atomic Separation

0
0

-0.1

Ceramics

~~Potential

-0.2

-0.3

Material

E (GPa)

Silicon Carbide

475

Alumina

375

Glass

70

Steel
Brass

210
97

Aluminum

69

PVC

3.3

Epoxy

2.4

LDPE

0.23

10

Ionic
n=2,m=8
n = 2, m = 6
Secondary

Metals

-0.4

-0.5

Polymers

-0.6

Material

(C -1x10 -6)

Silicon Carbide

4.1-4.6

Alumina

7.6

Glass

9.0

Steel
Brass

12.0
20

Aluminum

23.

PVC

90-180

Epoxy

81-117

LDPE

180-400

-0.7

Relative differences in potential curves

Assumes & are 1 - comparitive purposes only!

Ceramics

Metals

Polymers

From Callister, p. 22
ME 330 - Lecture 4

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Atomic Packing

Crystalline:
3-D arrangement of atoms in which every atom has the same
geometrical arrangement of neighbors
Long-range, periodic array over large length scales
Most solids are crystalline (metals, most ceramics, some
polymers)

Amorphous

Arrangement over which no long range order exists

Often clear - not enough order to diffract light
Rarely purely amorphous - have regions of crystallinity
Many polymers and some ceramics

ME 330 - Lecture 4

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Crystal Structure Definitions

Unit cell: Smallest

repeating unit of the crystal.
Lattice: 3D framework of
a crystal where atoms are
located
Lattice parameters:
Dimensions (a,b,c) and
angles (,,) of the lattice

b
a

ME 330 - Lecture 4

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Bravais Lattices

French Crystallographer Bravais (1848)

7 crystal systems using primitive unit cells
Primitive - one lattice point at origin
14 distinguishable point lattices
P - simple
F - face centered
I - body centered
C - base centered
For now, interested in BCC, FCC, HCP
Metallic crystal structures
Metallic bond is non-directional
No restriction on nearest neighbors
Very dense packing
First need to collect some definitions

Tetragonal

FCC

Monoclinic
Rhombohedral

BCC
Cubic

Hexagonal Orthorhomic

Triclinic

HCP
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Crystallographic Directions

Determining direction indices

Start vector at crystal axis

Draw to any point in the 3-D crystal
Project vector on each xyz axes
measure a in x-direction
measure b in y-direction
measure c in z-direction

Multiply by common factor to

achieve smallest integer value
Enclose in [ ] without commas

Negative directions indicated with Family of directions indicated by < >

Hexagonal crystals have 4 indices

[001]
[111]

a=1
b=
c=0
x

y
[010]
[100]

[210]

In a cubic crystal, [100],[ 1 00],[010],[0 1 0],[001],[00 1 ]

all in the <100> family.
ME 330 - Lecture 4

2014 Stephen Downing, University of Illinois at Urbana-Champaign, All Rights Reserved

[110]

are

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Crystallographic Planes
z
Determining Miller indices
Look at plane in unit cell which does
not pass through the origin
Determine length of planar intercept
with each axes (again, a,b,c)
Take reciprocal of a,b,c
Reduce to smallest integer value
Enclose in ( ) without commas
Any parallel planes are equivalent
z

z
y
x
ME 330 - Lecture 4

-1

[001]

c = 1/3
b = 1/2
a=1
x

y
[010]
[100] (123)
z

1
Intercepts : , 1,
2
Re ciprocals : 0 , 1, 2
Plane : 01 2
x

(012)

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Crystallographic Planes
z

[001]

Important for understanding

deformation
Important planes to note
(110)
The direction [hkl] is normal to the
plane (hkl) for cubic systems
only!
x
[100]
Negative directions indicated with Family of planes indicated by { }
z

( 111 ) or

z ( 111 )

(111 )

(1 1 1)

y
x
ME 330 - Lecture 4

or

{111} family
z ( 1 11 )

y
[010]
(111)

or

( 11 1 )

y
x

(100)

y
x

( 11 1 ) or
( 1 11 )

y
x

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Crystal Characteristics**
Cube length (a)- dimension of unit cell
Volume of unit cell - Vc= a3
Coordination number (Nc) - number of atoms in
contact with a single atom (nearest-neighbors)
Atomic Packing Factor (APF) - fraction of solid
sphere volume in a unit cell where
Vatoms n * 43 R 3
APF

Vc

a3

n = number atoms in a unit cell, R is radius of atom

True Density- weight per unit volume

ME 330 - Lecture 4

Mass atoms
nA

Volume cell Vc N A

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Body Centered Cubic Structure

Atoms touch along body
diagonal <111>
4R
Cubic unit cell ( a
)
3
n=2
Nc = 8
APF = 0.68
ABAB stacking
{110} is the closest packed plane
Iron (RT), Tungsten,
Molybdenum, Chromium

{110}

From Callister, p. 34
ME 330 - Lecture 4

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Face Centered Cubic Structure

Atoms touch along face

diagonal <110>
Cubic unit cell ( a 2R 2 )
n=4
Nc = 12
APF = 0.74
A close-packed structure
ABCABC stacking
{111} is the close packed plane
Aluminum, Copper, Gold,
Silver, Iron (high temp)*

{111}
From Callister, p. 32

*Allotropic form- crystal structure depends on temperature and pressure

ME 330 - Lecture 4

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Hexagonal Close-Packed Structure

Hexagonal unit cell

n=6

Nc = 12

APF = 0.74

A close-packed structure

ABAB stacking

{0001} is the close packed plane

Cadmium, Magnesium,
Titanium, Zinc
{001}
From Callister, p. 35

ME 330 - Lecture 4

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Stacking of Close-Packed Planes

HCP (A-B-A)

FCC (A-B-C)

Can stack second plane in locations B or C

Can stack third plane in locations A or C
Difference between FCC and HCP?
FCC stacking sequences is ABCABC
HCP stacking sequence is ABABAB
From Callister, p. 49
ME 330 - Lecture 4

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Density Definitions
z

[001]

y
Deformation depends on density
[010]
Examples for BCC crystal
x
[100]
Linear Density: Fraction of line length filled by atoms.

[111]
3ao

4 R 3 ao

LD

2R
3

0.866
ao
2

[100]
ao

Planar Density: Total area of atoms in given unit plane.

ao

(100)

4 R 2
3
4
PD 2
0.59
16
ao

Volumetric Density: Total volume of atoms in given unit

cell. Same as APF.
1 4
3 4
3
8 R R
8 3
0.68
3
VD
3
ao

ME 330 - Lecture 4

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Metals Are Polycrystalline

ME 330 - Lecture 4

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Macroscopic Packing
(Single Crystal vs. Polycrystalline)

Though we show only single cube, these are small portion of larger, repeating
structure

Single crystals can be grown to macroscopic size

Si crystals for microchips

GaAs wafers for semiconductors

Turbine blades for aircraft

Polycrystalline metals

Much more common than single crystals

Solidification from various sites leads to grains

Grains: Patches of single crystal material essentially randomly oriented with

respect to each other

Grain boundary: Atomic mismatch in region between grains

ME 330 - Lecture 4

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Directionality of Properties
Method of processing effects directional dependence
of macroscopic properties
Isotropic: Properties independent on crystal direction
Anisotropic: Properties dependent on crystal direction
Most single crystal metals are anisotropic. Tungsten an
exception

Degree of anisotropy depends on crystal symmetry

Increases with decreasing symmetry

Polycrystalline materials have random grain (single crystal)

orientations and thus bulk properties are statistically isotropic
From Callister, p. 53
ME 330 - Lecture 4

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In-class Assignment**
z

1) Determine the direction indicated in

the cubic cell.
(1/2,1/2)

2) Sketch the (214) plane in the cubic

cell.
y
x
ME 330 - Lecture 4

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In-class Assignment**
3) Fe is a BCC solid at room temperature. The molecular weight of Fe
is 55.85 g/mol and its atomic radius is 0.124 nm. Compute the true
density.

ME 330 - Lecture 4

2014 Stephen Downing, University of Illinois at Urbana-Champaign, All Rights Reserved

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Next Lecture ...

Theoretical Strength
Point Defects
Linear Defects
Planar Defects
Volume Defects
Microscopy

Please read chapter 4

ME 330 - Lecture 4

2014 Stephen Downing, University of Illinois at Urbana-Champaign, All Rights Reserved

31 of 31

ME 330 Engineering Materials

Stephen D. Downing
Mechanical Science and Engineering
2001 - 2015 University of Illinois Board of Trustees, All Rights Reserved