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ISSUES TO ADDRESS...
• How do atoms assemble into solid structures?
(for now, focus on metals)
1
Energy and Packing
• Non dense, random packing Energy
typical neighbor
bond length
typical neighbor r
bond energy
typical neighbor
bond length
typical neighbor r
bond energy
Si Oxygen
Noncrystalline materials...
• atoms have no periodic packing
• occurs for: -complex structures
-rapid cooling
"Amorphous" = Noncrystalline noncrystalline SiO2
Adapted from Fig. 3.22(b),
Callister 7e.
3
Section 3.3 – Crystal Systems
Unit cell: smallest repetitive volume which
contains the complete lattice pattern of a crystal.
7 crystal systems
14 crystal lattices
vs.
6
Simple Cubic Structure (SC)
• Rare due to low packing denisty (only Po has this structure)
• Close-packed directions are cube edges.
• Coordination # = 6
(# nearest neighbors)
2a
Close-packed directions:
R length = 4R = 3 a
Adapted from
Fig. 3.2(a), Callister 7e.
a
atoms volume
4
unit cell 2 π ( 3a/4) 3 atom
3
APF =
volume
a3
unit cell 10
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.
A
• FCC Unit Cell B
C
13
Hexagonal Close-Packed Structure
(HCP)
• ABAB... Stacking Sequence
• 3D Projection • 2D Projection
nA
ρ =
VC NA
15
Theoretical Density, ρ
• Ex: Cr (BCC)
A = 52.00 g/mol
R = 0.125 nm
n=2
R
a a = 4R/ 3 = 0.2887 nm
atoms
g
unit cell 2 52.00 ρ = 7.18 g/cm3
mol theoretical
ρ = ρ = 7.19 g/cm3
a3 6.023 x 1023 actual
volume atoms
unit cell mol 16
Densities of Material Classes
In general Metals/
Graphite/
Composites/
ρ metals >ρ ceramics >ρ polymers Alloys
Ceramics/
Semicond
Polymers
fibers
30
Why? Platinum
Based on data in Table B1, Callister
*GFRE, CFRE, & AFRE are Glass,
20 Gold, W
Metals have... Tantalum Carbon, & Aramid Fiber-Reinforced
Epoxy composites (values based on
• close-packing 60% volume fraction of aligned fibers
10 Silver, Mo in an epoxy matrix).
(metallic bonding) Cu,Ni
Steels
• often large atomic masses Tin, Zinc
Zirconia
ρ (g/cm3 )
5
Ceramics have... 4
Titanium
Al oxide
Diamond
• less dense packing 3 Si nitride
Aluminum Glass -soda Glass fibers
• often lighter elements Concrete
Silicon PTFE GFRE*
2
Polymers have... Magnesium Graphite
Silicone
Carbon fibers
CFRE*
Aramid fibers
PVC
• low packing density PET
PC
AFRE*
1
(often amorphous) HDPE, PS
PP, LDPE
• lighter elements (C,H,O)
0.5
Composites have... 0.4
Wood
18
Polycrystals Anisotropic
• Most engineering materials are polycrystals.
20
Section 3.6 – Polymorphism
• Two or more distinct crystal structures for the same
material (allotropy/polymorphism)
iron system
titanium
liquid
α , β -Ti
1538ºC
BCC δ -Fe
carbon
diamond, graphite 1394ºC
FCC γ -Fe
912ºC
BCC α -Fe
21
Section 3.8 Point Coordinates
z
111 Point coordinates for unit cell
c center are
a/2, b/2, c/2 ½½½
000
y
a b
Point coordinates for unit cell
x • corner are 111
z 2c
•
x [uvw]
[110]
ex: linear density of Al in [110]
direction
a = 0.405 nm
# atoms
a 2
LD = = 3.5 nm −1
length 2a
24
HCP Crystallographic Directions
z
Algorithm
1. Vector repositioned (if necessary) to
pass
through origin.
a2 2. Read off projections in terms of unit
cell dimensions a1, a2, a3, or c
- 3. Adjust to smallest integer values
a3
4. Enclose in square brackets, no commas
a2
a1 [uvtw]
a2 -a3
Adapted from Fig. 3.8(a), Callister 7e.
2
26
Crystallographic Planes
27
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)
28
Crystallographic Planes
z
example a b c
1. Intercepts 1 1 ∞ c
2. Reciprocals 1/1 1/1 1/∞
1 1 0
3. Reduction 1 1 0 y
a b
4. Miller Indices (110)
x
z
example a b c
1. Intercepts 1/2 ∞ ∞ c
2. Reciprocals 1/½ 1/∞ 1/∞
2 0 0
3. Reduction 2 0 0
y
4. Miller Indices (100) a b
x
29
Crystallographic Planes
z
example a b c c
1. Intercepts 1/2 1 3/4 •
2. Reciprocals 1/½ 1/1 1/¾
2 1 4/3 • y
•
3. Reduction 6 3 4 a b
example a1 a2 a3 c
1. Intercepts 1 ∞ -1 1
2. Reciprocals 1 1/∞ -1 1
1 0 -1 1 a2
3. Reduction 1 0 -1 1
a3
31
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.
32
Planar Density of (100) Iron
Solution: At T < 912°C iron has the BCC structure.
2D repeat unit
(100) 4 3
a= R
3
area a2 4 3 nm 2
m2
R
2D repeat unit 3
33
Planar Density of (111) Iron
Solution (cont): (111) plane 1 atom in plane/ unit surface cell
2a atoms in plane
atoms above plane
nit
atoms below plane
tu
ea
r ep
3
h= a
2D 2
2
4 3 16 3 2
area = 2 ah = 3 a = 3 R =
2
R
atoms 3 3
2D repeat unit 1
atoms = atoms
Planar Density = = 7.0 0.70 x 1019
area 16 3 2
nm
2
m2
R
2D repeat unit 3
34
Section 3.16 - X-Ray Diffraction
”
“1
in -ra
co ys
X
y s reflections must
m
-ra be in phase for
in
”
“2
X
g
a detectable signal
“1
ng
”
extra
o i λ
“2
g Adapted from Fig. 3.19,
distance
θ ut θ
”
o Callister 7e.
travelled
by wave “2” spacing
d between
planes
Measurement of X-ray
intensity nλ
critical angle, θ c, d=
(from 2 sinθ c
allows computation of
detector)
planar spacing, d.
θ
θc
36
X-Ray Diffraction Pattern
z z z
c c c
y (110) y y
a b a b a b
Intensity (relative)
x x x (211)
(200)
Diffraction angle 2θ
37
SUMMARY
• Atoms may assemble into crystalline or
amorphous structures.
• Common metallic crystal structures are FCC, BCC, and
38
SUMMARY
39
ANNOUNCEMENTS
Reading:
Core Problems:
Self-help Problems:
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