01-Unit Cell and Crystalline Metallic Structures - F17

The Unit Cell and Crystalline
Metallic Structures
J. Ernesto Indacochea
University of Illinois at Chicago
Materials Engineering
CME 470 J. Ernesto Indacochea UIC

Introduction
Video
2
Crystal Structures -- Description
Properties Crystalline Solids are related to the
crystal structure.
Crystal structure => arrangement of atoms, ions,
molecules in space
Atomic hard sphere model
Crystalline material:
atoms (or ions) are arranged in periodic groups
over large distances.
3
Lattice: Point array in space, such that each point
has identical surroundings. These points coincide
with atom positions.
4
Unit Cells:
Small group of atoms that form a repetitive pattern.
These are parallelepipeds or prisms with 3 sets of parallel faces.
5
Lattice Parameter (ao): describes the size
and shape of the unit cell.
For cubic crystal only the length of one
side is needed, to describe it.
ao
ao
ao
6
Metallic Crystal Structures
Face-Centered Cubic Crystal Structure (fcc):
Cu, Ag, Al, Au Atomic radius & lattice
# of atoms per unit cell = ?. parameter relationship
ao
r
4 r ao 2
ao 2 2 r
7
Cu, Ag, Al, Au Coordination Number = 12.
# of atoms per unit cell = ?.
8
Cu, Ag, Al, Au
# of atoms per unit cell = ?.
Atomic packing factor (APF)
APF
volume of all atoms
volumeof unit cell
9
Atomic Packing Factor (APF):
4 3 4 3
4 r 4 r
3 3
APF
ao3
2 2 r
3

16 3
r
3
APF 3
0.74
16 2 r 3 2
10
Body-Centered Cubic Crystal Structure (bcc):
Cr, Mo, W, Fe have this structure.

# of atoms per unit cell = 2.
Atomic radius and lattice parameter relationship:
4R
aO
3
Coordination Number = 8.
Atomic Packing Factor = 0.68
11
Metallic Crystal Structures:
Hexagonal Close-Packed (hcp)
Zn, Mg, Cd, Ti are some of the materials with this type of
structure.
#of atoms 2bases 1 atom corners
6
unit cell u.c. 6 corner base
3 int ernal atoms 1 center atom

2 bases 6
u.c. 2 base
Coordination Number = 12 (same as fcc)
Atomic Packing Factor = 0.74 (same as fcc)
Atomic radius & lattice parameter relationship: ao= 2R
12
Metallic Crystal Structures:
Hexagonal Close-Packed (hcp)
13
Density Calculations
m n A

V VC N A
n= # atoms/u.c.
A= at. weight
Vc= vol. of u.c.
NA= Avogadros #
14
Density Calculations
Al = ?; A = 26.98 gm/mole; r = 0.143 nm
Vc = ao 3

= 2 2 r
3
=6.617 x 1023 cm3
NA= 6.023 x 1023; n = 4;
Al = 2.707 gm/cm3
n A

VC N A
15
Crystal Systems
Unit Cells: small group of atoms that form a repetitive
pattern. These are parallelepipeds or prisms with 3 sets
of parallel faces.
16
Crystal Systems
17
Crystal Directions
18
Crystal Directions
F
Deformation of a metal
(crystalline structure)
at an atomic scale
19
Crystal Directions
20
Crystallographic Planes & Directions
Crystallographic Directions:
z
Metals deform along directions 0, 1, 1
in which atoms are in closest
contact.
Miller Indices: shorthand code 0, 0, 0 y
used to describe such directions.
Coordinates of Points: x 1, 0, 0 1, 1, 0
We can locate the atom positions, in the lattice or unit cell by

constructing a right-hand coordinate system.
The vector or direction distance is measured in terms of the number of lattice
parameters it must move in each of the x, y, and z coordinates to get from the
origin.
Notation: coordinates are written as the three distances, with commas
separating the numbers.
21
Crystallographic Planes & Directions
Crystallographic Directions:
Directions in the Unit Cell:
1. Use a right-hand coordinate system.
2. Determine the coordinates of two points
that lie on the direction. z
0, 1, 1
3. Subtract the coordinates of the "tail"
point from the coordinates of the "head"
point to obtain the number of lattice
parameters traveled in the direction of each
axis of the coordinate system. 0, 0, 0 y
4. Clear fractions and/or reduce the results
from the subtraction to lowest integers. x 1, 0, 0 1, 1, 0
5. Enclose integers in square brackets [ ]. If a
negative sign is produced, represent the
negative sign with a bar over the number.
22
Crystallographic Directions
Direction A
z 1. Two points are 1, 0, 0, and 0, 0, 0
2. 1,0,0-0,0,0=1,0,0
1, 1, 1 3. No fractions to clear or integers to reduce.
4. [100].
B C
A
y Direction B
0, 0, 0 1. Two points are 1, 1, 1 and 0, 0, 0
, 1, 0
2. 1,1,1-0,0,0=1,1,1
x 1, 0, 0 3. No fractions to clear or integers to reduce.
Direction C 4. [111].
1. Two points are 0, 0, 1 and , 1, 0
2. 0, 0, 1 , 1, 0 = , 1, 1
3. 2 (, 1, 1) = 1 2 2
4. [ 1 2 2 ]
23
Crystallographic Directions in
Hexagonal Crystals
Directions are denoted with
either 3-axis or 4-axis
system.
With the 3-axis system, the
procedure is the same as
for conventional Miller
indices.
Two basal plane axes, a1
and a2 and the normal z-
axis to the basal plane.
24
Hexagonal Crystals
The
coordinate system
consists of:
Three basal axes at 120
angles to one another: a1,
a2, a3.
c-axis normal to the basal
plane.
The Miller-Bravais
directional indices
25
Hexagonal Crystals
Directional indices denoted
by 4 digits:
[u v t w], where t = (u + v)
Conversion from 3-index
system to 4-index system:
[u,v,w] [u v t w]
1
u (2u 'v' ) t u v
3
1
v (2v'u ' )
3
w w'
26
Hexagonal Crystals
1
v (2v'u ' )
3
27
Hexagonal Crystals
Direction C
1. Two points are at 0, 0, 1 and 1, 0, 0.
2. (0, 0, 1) (1, 0, 0) = - 1, 0, 1
3. No fractions to clear or integers to
reduce.
4. [ 1 0 1 ] or [ 2 1 1 3 ]
Direction D
1. Two points are at 0, 1, 0 and 1, 0, 0.
(t)
2. (0, 1, 0) (1, 0, 0) = - 1, 1, 0
3. No fractions to clear or integers to
reduce.
4. [ 1 1 0 ] or [ 1 1 0 0 ]
(v)
(u) 1
v (2v'u ' )
3
28
Structure of Crystalline Materials:
Crystallographic Planes:
Metals favor deformation along planes

where atoms are most tightly packed.
29
30
Structure of Crystalline Materials
Miller Indices-- shorthand notation to identify

planes:
1. Identify the points at which the plane intercepts the
x, y, and z coordinates.
z
0, 1, 1
0, 0, 0 y
x 1, 0, 0 1, 1, 0
31
Miller Indices are a shorthand notation to
identify planes:
2. What about if the plane passes through the origin?
z
0, 1, 1
The origin of the

coordinate system
0, 0, 0 y must be moved!
x 1, 0, 0 1, 1, 0
32
Miller Indices, a shorthand notation to identify

planes:
3.Take reciprocals of these intercepts.
z

0, 1, 1
x y z
1 1 -1
0, 0, 0 y
1/1 1/1 1/-1
x 1, 0, 0 1, 1, 0
33
Miller Indices, a shorthand notation to identify
planes:
4. Clear fractions by reducing to lowest integers by
common factor 1, 1, -1
5. Enclose the resulting numbers in parentheses ( h k l ).

Again, negative numbers should be written with a bar
over the number
(111)
34
Linear and Planar Atomic Densities
Atomic linear density (LD).
The direction vector passes through atom centers.
Lc
LD = fraction of line length intersected by these atoms
Ll
z
Lc = 2R
4 R
L1= ao ao
3
y LD[100] Lc 2R 2R 3 0.866
Ll ao 4R 2
3
x
LD [111 ] 1.0
35
Linear and Planar Atomic Densities:
Atomic Planar Density (PD):
Plane of interest passes through atom centers.
PD = fraction of the total crystallographic plane occupied by
atoms. Planar density of (110) plane:
z
ao 2 ao
ao
y
Aatoms 2 ( R ) 2R 2
2
PD 0.555
x Aplane a o ao 2 2
2 2R 2
36
Linear and Planar Atomic Densities
Atomic Planar Density (PD): (111)
PD = fraction of total crystallographic
(geometric) plane occupied by atoms.
z ao 2
2 R 2 2
y PD(111) 0.906
3 4 3
ao 2 ao
2
x 2
37
Close-Packed Crystal Structures
Both fcc and hcp

A A A A A have an APF =
B B B B
C C C C 0.74
A A A A A
B B B B fcc close-packed
C C C C plane sequence.
A A A A A
B B B B
C C C C hcp close-packed
A A A A A plane sequence.
B B B B
C C C C
A A A A A
38
fcc close-packed
A A A A A plane sequence.
B B B B
C
C
C
C C C
A A A C A
C
A B
B B B B A
C
C C
C C
C C
C C
A A A A A B
B
B B
B B
B B
B A
C
C C
C C
C C
C
A A A A A C
B
B B
B B
B B
B B
C C C
C C
C A
A A A A A
39
hcp close-packed
A
A A
A A
A A
A A
A plane sequence.
B B B B
C C C C
A
A A
A A
A A
A A
A
B B B B
C C C C A
A
A A
A A
A A
A A
A B
B
B B
B B
B B
B A
C C C C B
A
A A
A A A A
A A
B
B B
B B
B B
B B
C C C C A
A
A A
A A
A A
A A
A
40
X-Ray Diffraction
Determination of Crystal Structures
Nature of X-Rays:
q
X-rays are electromagnetic
waves with wavelengths ~ 0.05 K
- 0.25 nm (0.5 -2.5).
Wavelength of visible light is
~ 600 nm (6000).
c
E h h

K
c
h
E x ray x ray vl
;
Evl h
c x ray
vl
41
Exercises

43
44
45
46
47
48
49
50
51
52
53

01-Unit Cell and Crystalline Metallic Structures - F17

Uploaded by

Document Information

Original Title

Copyright

Available Formats

Share this document

Share or Embed Document

Sharing Options

Did you find this document useful?

Is this content inappropriate?

Copyright:

Available Formats

01-Unit Cell and Crystalline Metallic Structures - F17

Uploaded by

Copyright:

Available Formats

The Unit Cell and Crystalline

CME 470 J. Ernesto Indacochea UIC

Atomic packing factor (APF)

Cr, Mo, W, Fe have this structure.

3 int ernal atoms 1 center atom

Atomic radius & lattice parameter relationship: ao= 2R

We can locate the atom positions, in the lattice or unit cell by

Metals favor deformation along planes

Miller Indices-- shorthand notation to identify

The origin of the

Miller Indices, a shorthand notation to identify

5. Enclose the resulting numbers in parentheses ( h k l ).

Both fcc and hcp

CME 470 J. Ernesto Indacochea UIC

You might also like