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Outline
Fundamental concepts
Unit cells
Metallic crystal structure
Density and polymorphism
Crystal systems
Fundamental concepts
• Lattice: a three-dimensional
array of points coinciding
with atom position
1
Unit cells
2
Atomic packing factor (APF)
3
The FCC crystal structure
4
FCC stacking sequence
B B
C
A
A sites B B B
C C
B sites B B
C sites
A
• FCC Unit Cell B
C
5
Atomic packing factor: BCC
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
3 atom
APF =
volume
a3
unit cell
• 6 atoms/unit cell
• Coordination # = 12 ex: Cd, Mg, Ti, Zn
• APF = 0.74
• c/a = 1.633
6
Theoretical density and polymorphism
• Density computation
Mass of Atoms in Unit Cell
Density = ρ =
Total Volume of Unit Cell
nA
ρ =
VC NA
where n = number of atoms/unit cell
A = atomic weight
VC = Volume of unit cell = a3 for cubic
NA = Avogadro’s number
= 6.023 x 1023 atoms/mol
• Polymorphism: a phenomenon that material has more than
one crystal structure
ο Ex: Cr (BCC)
ο A = 52.00 g/mol
ο R = 0.125 nm
ο n=2
R
a
a = 4R/ 3 = 0.2887 nm
atoms
g
unit cell 2 52.00 ρtheoretical = 7.18 g/cm3
mol
ρ= ρactual = 7.19 g/cm3
a3 6.023 x 1023
volume atoms
unit cell mol
7
Densities of material classes
In general Graphite/
ρmetals > ρceramics > ρpolymers
Metals/ Composites/
Ceramics/ Polymers
Alloys fibers
Semicond
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 Carbon fibers
Polymers have... Magnesium Graphite
Silicone 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
Crystal systems
• 7 crystal systems
• 14 crystal lattices
8
Crystal systems
Crystal systems
9
Crystal Systems
Hexagonal:
Cubic: Tetragonal:
Emerald
Lead ore Rhombic: idocrase
Topaz
Monoclinic: Triclinic:
Gypsum Axinite
10