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Lecture 3: The Structure of Crystalline Solids: Issues To Address..

This document discusses the structure of crystalline solids. It addresses the difference between crystalline and noncrystalline atomic arrangements, how atomic structure determines density, and when material properties vary with measurement direction. It describes the FCC, BCC, and HCP crystal structures that are common in metals and alloys. Dense, ordered packing in crystals typically has lower energy than non-dense, random packing. Crystalline materials have periodic atomic arrays while noncrystalline materials do not. Metallic crystals tend toward dense packing to minimize bond energy.

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Martin Trejo
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76 views

Lecture 3: The Structure of Crystalline Solids: Issues To Address..

This document discusses the structure of crystalline solids. It addresses the difference between crystalline and noncrystalline atomic arrangements, how atomic structure determines density, and when material properties vary with measurement direction. It describes the FCC, BCC, and HCP crystal structures that are common in metals and alloys. Dense, ordered packing in crystals typically has lower energy than non-dense, random packing. Crystalline materials have periodic atomic arrays while noncrystalline materials do not. Metallic crystals tend toward dense packing to minimize bond energy.

Uploaded by

Martin Trejo
Copyright
© © All Rights Reserved
Available Formats
Download as PPT, PDF, TXT or read online on Scribd
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Lecture 3: The Structure of Crystalline Solids

ISSUES TO ADDRESS...
What is the difference in atomic arrangement
between crystalline and noncrystalline solids?
What features of a materials atomic
structure determine its density?
Under what circumstances does a material
property vary with the measurement direction?
Crystalline structures of metals and alloys
Chapter 3 - 1

Energy and Packing


Non dense, random packing

Energy
Typical neighbor
bond length

typical neighbor
bond energy

Dense, ordered packing

r
Energy
typical neighbor
bond length

typical neighbor
bond energy

Dense, ordered packed structures tend to have


lower energies.
Chapter 3 - 2

Materials and Packing


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

crystalline SiO2
Adapted from Fig. 3.25(a),
Callister & Rethwisch 9e.

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

Si

Oxygen

noncrystalline SiO2
Adapted from Fig. 3.25(b),
Callister & Rethwisch 9e.
Chapter 3 - 3

The Cubic
System

b=4r
b2=2a2
S=a2
V=a3

FCC

Lattice Parameter (a)


and Atomic Radius (r)

One Atom

Two Atoms

Four Atoms

Chapter 3 -

Chapter 3 -

Metallic Crystal Structures


How can we stack metal atoms to minimize
empty space?
2-dimensions

vs.

Now stack these 2-D layers to make 3-D structures


Chapter 3 - 6

Metallic Crystal Structures


Tend to be densely packed.
Reasons for dense packing:
- Typically, only one element is present, so all atomic
______ 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.

Metals have the simplest crystal structures.


We will examine three such structures...

Chapter 3 - 7

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)

Click once on image to start animation


(Courtesy P.M. Anderson)

Chapter 3 - 8

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
close-packed directions
contains 8 x 1/8 =
1 atom/unit cell
Adapted from Fig. 3.3 (a),
Callister & Rethwisch 9e.

APF =

volume
atom
4
(0.5a) 3
1
3
a3

volume
unit cell

Chapter 3 - 9

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 (), Tantalum, Molybdenum

Coordination # = 8

Click once on image to start animation


(Courtesy P.M. Anderson)

Adapted from Fig. 3.2,


Callister & Rethwisch 9e.

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


Chapter 3 - 10

Atomic Packing Factor: BCC


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

a
2a
Adapted from
Fig. 3.2(a), Callister &
Rethwisch 9e.

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

atoms
volume
4
( 3a/4 ) 3
2
unit cell
atom
3
APF =
volume
a3
unit cell

Chapter 3 - 11

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

Click once on image to start animation


(Courtesy P.M. Anderson)

Adapted from Fig. 3.1, Callister & Rethwisch


9e.

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


Chapter 3 - 12

Atomic Packing Factor: FCC


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

2a

Unit cell contains:


6 x + 8 x 1/8
= 4 atoms/unit cell

Adapted from
Fig. 3.1(a),
Callister &
Rethwisch 9e.

atoms
unit cell
APF =

4
3

( 2a/4 ) 3

a^3

volume
atom
volume
unit cell
Chapter 3 - 13

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 _____ Cell

A
B
C

Chapter 3 - 14

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. 3.4(a),


Callister & Rethwisch 9e.

Coordination # = __
APF = ______

__ atoms/unit cell
ex: Cd, Mg, Ti, Zn

c/a = _______
Chapter 3 - 15

Three Crystalline
Structures for Most
of Metals
BCC
FCC
HCP

Chapter 3 -

Common Metallic Crystal Structures

Chapter 3 -

PACKING FRACTION /EFFICIENCY

Relation between atomic radius (r) and


lattice parameter (a)

SC*

BCC*

FCC

HCP

a = 2r

Sqrt3*a
= 4r

Sqrt2*a =
4r

a = 2r
c 4r

Atoms / cell

Lattice points / cell

No. of nearest neighbours

12

12

Packing fraction

3
8

2
6

3
6

3
6

= 0.68

= 0.74

Crystal formed by monoatomic decoration of the lattice


DCDiamond Cubic
Chapter 3 -

2
3

METALLICMetals

Positive ions in a free electron cloud

Metallic bonds are non-directional


Each atoms tends to surround itself with as many neighbors as possible!
Usually high temperature(FCC) Low Temp. (BCCOpen
structure)

FCC Al, Fe (910 - 1410C), Cu, Ag, Au, Ni, Pd, Pt


BCC Li, Na, K , Ti, Zr, Hf, Nb, Ta, Cr, Mo, W, Fe (below 910C)
HCP Be, Mg, Ti, Zr, Hf, Zn, Cd
Others La, Sm-Po, -Mn, Pu

Have the simplest crystal structures


Chapter 3 -

Chapter 3 -

Periodic Table of The Elements

Chapter 3 -

Periodic Table of Metal Structures

Chapter 3 -

Theoretical Density,
Density = =

where

Mass of Atoms in Unit Cell


Total Volume of Unit Cell

nA
VC NA

n = # 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 3 - 23

Theoretical Density,
Ex: Cr (BCC)
A = 52.00 g/mol
R = 0.125 nm
n = 2 atoms/unit cell
Adapted from
Fig. 3.2(a), Callister &
Rethwisch 9e.

atoms
unit cell
=

volume
unit cell

a
2 52.00

a 3 6.022 x 1023

a = 4R/ 3 = 0.2887 nm
g
mol

theoretical

= 7.18 g/cm3

actual

= 7.19 g/cm3

atoms
mol
Chapter 3 - 24

Densities of Material Classes

In general
metals > ceramics > polymers
30
Why?
Metals have...

Ceramics have...
less dense packing
often lighter elements

Polymers have...

(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
1

0.5
0.4
0.3

Titanium
Aluminum
Magnesium

Graphite/
Ceramics/
Semicond

Polymers

Composites/
fibers

Based 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
Graphite

PTFE
Silicone
PVC
PET
PC
HDPE, PS
PP, LDPE

Glass fibers
GFRE*
Carbon fibers
CFRE*
Aramid fibers
AFRE*

Wood
Data from Table B.1, Callister & Rethwisch, 9e.
Chapter 3 - 25

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