Beruflich Dokumente
Kultur Dokumente
and GEOMETRY
Space
lattice
Unit cell
Cubic
system
APF
Density
calculatio
Miller indices
Positions
Directions
Planes
Linear & planar
density
Structure
mapping
XRD, SEM, TEM
INTRODUCTION
Significant property differences
exist between the crystalline
and non-crystalline materials
having the same composition
Properties of some materials are directly related
to their crystal structures.
Crystallography is the branch of science that
deals with the geometric description of crystals
and their internal arrangement.
2
CYSTALLINE
-due to orderly structure of their atoms molecules or
ions possess well defined shaped.
Examples: metal, ceramic, polymer, alloy
AMORPHOUS
-poor or no long range order and do not
solidify with symmetry or cystalline solids
CRYSTALLINE
-atoms/ion arranged in a pattern that repeat itself in 3 dimensions
and they form a solid that has long range order (LRO)
AMORPHOUS
-atoms/ions are not arranged in a long range order, periodic and
repeatable manner and possess only short range order (SRO)
crystalline SiO2
Adapted from Fig. 3.22(a),
Callister 7e.
Noncrystalline materials...
atoms have no periodic packing
occurs for: -complex structures
-rapid cooling
"Amorphous" = Noncrystalline
Si
Oxygen
noncrystalline SiO2
Adapted from Fig. 3.22(b),
Callister 7e.
Crystal Systems
Unit cell: smallest repetitive volume which
contains the complete lattice pattern of a crystal.
7 crystal systems
(Table 3.1 Smith)
*stress on CUBIC only
14 crystal lattices
(Bravais lattices)
a, b, and c are the lattice constants
6
The 14 Bravais
Simple
Body Centered
Figure 3.2
Face centered
Tetragonal
a
=b c
= = = 900
Simple
Body Centered
10
Orthorhombic
a b c
= = = 900
Simple
Base Centered
Body
Centered
Face
Centered
Rhombohedral
a
=b = c
= = 900
Simple
11
Hexagonal
a b c
= = = 900
Simple
Monoclinic
a b c
= = = 900
Simple
Triclinic
a b c
= = = 900
Figure 3.2
Simple
12
13
Simple Cubic
a
R=0.5a
close-packed directions
contains 8 x 1/8 =
1 atom/unit cell
Adapted from Fig. 3.23,
Callister 7e.
APF =
volume
atom
4
(0.5a) 3
1
3
a3
volume
unit cell
SIMPLE CUBIC
where
This means that SC 52%
packed with 1 atom.
(48% empty space).
It is not a closed-packed
structure.
17
19
(8x1/8 ) + 1 = 2 atoms
Therefore, lattice
constant, a =
4R
3
20
Formula check!
Calculate 2 a
Calculate 3 a
X 2 a2 a2
X 2a
4R X 2 a 2
4 R 2 ( 2a ) 2 a 2
4 R 2 3a 2
2
4R
3
21
a
2a
Adapted from
Fig. 3.2(a), Callister 7e.
Close-packed directions:
length = 4R = 3 a
atoms
volume
4
( 3a/4) 3
2
unit cell
atom
3
APF =
volume
3
a
22
unit cell
Example Problem
Iron (Fe) at 20C is a BCC with atoms of atomic
radius 0.124 nm. Determine the lattice constant,
a of the cube edge of the iron unit cell.
4R=3 a
a = 4R/3
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Solution
Solution:
a =
4R
3
= 0.2864 nm
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Table 3.2 (Smith) Selected metals which have the BCC crystal
structure at room temperature (20C) and their lattice constants
and atomic radii
Metal
Lattice constant a, nm
*Atomic radii R, nm
Chromium
0.289
0.125
Iron
0.287
0.124
Molybdenum
0.315
0.136
Potassium
0.533
0.231
Sodium
0.429
0.186
Tantalum
0.330
0.143
Tungsten
0.316
0.137
Vanadium
0.304
0.132
4R = 3 a
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--Note: All atoms are identical; the face-centered atoms are shaded differently for
ease of viewing.
27
29
4R
2
30
atoms
2a
unit cell
APF =
a
Adapted from
Fig. 3.1(a),
Callister 7e.
4
3
( 2a/4) 3
a3
volume
atom
volume
unit cell
31
Vc a
3
2
APF 0.74
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APF of FCC
APF = 0.74, which is greater than BCC
(0.68)
This means that 74% of the FCC unit cell
volume is filled by 4 atoms.
Atoms in FCC are packed as close
together as possible.
It is a close-packed structure.
26% is empty space.
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34
APF = 0.74
2D Projection
A sites
Top layer
B sites
Middle layer
A sites
Bottom layer
Adapted from Fig. 3.3(a),
Callister 7e.
6 atoms/unit cell
ex: Cd, Mg, Ti, Zn
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(2 x 6 x 1/6) + (2 x ) + 3 = 6 atoms
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Class Exercise
1. Iron has an atomic radius of 0.124 nm
and a BCC crystal structure. Show that
APF for iron is 0.68.
2. Calculate the atomic radius of Nickel
having the lattice constant of 0.352422
nm and FCC crystal structure.
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Ceramics have...
less dense packing
often lighter elements
Polymers have...
(g/cm3 )
close-packing
(metallic bonding)
often large atomic masses
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
PTFE
Silicone
PVC
PET
PC
HDPE, PS
PP, LDPE
Glass fibers
GFRE*
Carbon fibers
CFRE*
Aramid fibers
AFRE*
Wood
Data from Table B1, Callister 7e.
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Density Calculation
mass unitcell
volume unitcell
n MW
Vc N A
Where:
n
=
MW =
Vc =
NA
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Theoretical Density,
Density = =
=
where
nA
VC NA
Theoretical Density,
Ex: Cr (BCC)
A = 52.00 g/mol
R = 0.125 nm
n=2
R
atoms
unit cell
=
volume
unit cell
a
2 52.00
a3 6.023 x 1023
a = 4R/ 3 = 0.2887 nm
g
mol
theoretical
= 7.18 g/cm3
actual
= 7.19 g/cm3
atoms
mol
41
Volume Density
Mass/Unit cell
Volume/Unit cell
42
Volume Density
Mass/Unit cell
Volume/Unit cell
4R
4 0.1278nm
= 0.361 nm
v
v
m
g
8.98 3
V
cm
43
Polymorphism or Allotropy
Metals exist in more than one crystalline form. This
is caller polymorphism or allotropy.
Temperature and pressure leads to change in
crystalline forms.
Example:- Titanium, Iron, Cobalt
- Iron exists in both BCC and FCC form
Liquid
depending on the temperature.
Iron
9120C
-2730C
Iron
BCC
13940C 15390C
Iron
FCC
Iron
BCC
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3-33
Tutorial
1. Molybdenum has a BCC crystal structure, an
atomic radius of 0.1363 nm, and an atomic
weight of 95.94 g/mol. Determine its density.
2. Calculate the radius of a palladium atom, given
that Pd has an FCC crystal structure, a density
of 12.0 g/cm3 , and an atomic weight of 106.4
g/mol.
3. Calculate the radius of a tantalum atom, given
that Ta has a BCC crystal structure, a density of
16.6 g/cm3 , and an atomic weight of 180.9
g/mol
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4.
Atomic
weight
(g/mol)
Density
(g/cm3)
Atomic
Radius (nm)
43.1
6.40
0.122
184.4
12.30
0.146
91.6
9.60
0.137
47