530.

352 Materials Selection

Lecture #3 Atomic packing in crystal structures

Wednesday
September 14th, 2005

Page 1
Bookkeeping:
 Homework #1
• Posted, due Monday in class.
 Review periods
• Friday 2-3pm

Page 2
Arrangement of atoms in solids :

 Crystalline
• exhibit long range order
• position repeated over and over
 Amorphous
• no long range order
• not periodic
• usually does exhibit short range order.

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Pure metals :
 Assume:
• atoms are hard spheres
• of only one size
• non-directionally bonded
• geometrically packed

 Build up 3-D crystals by :

• packing atoms into 2-D atomic planes
• stacking these planes to get 3-D crystals
Page 4
4-fold packing :

a
a

Page 5
Cubic (volume fraction) :

Packing factor

# of atoms / cell = 8 x (1/8) = 1

a

Vcell = a3 ; Vatom = 4/3 πR3

a
a

Relation: 2R = a

PF = Vatom / Vcell = 4/3 πR3 /8R3

= π / 6 = 0.52 Page 6
Body centered cubic :

a
a

Page 7
BCC volume fraction:

Packing factor

atoms / cell = 8x(1/8)+1 = 2

a

Vcell = a3 ; Vatom = 4/3 πR3

a
a

Relation: 4R = (3)0.5 a

PF = 2 x 4/3 πR3 / (4 / 30.5 )3 R3

= (3)0.5 π / 8 = 0.68
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3-fold packing

Stacking :
-- A B C A B C A B C--
or
-- A B A B A B A B --

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Face Centered Cubic (FCC) :

a
a

-- A B C A B C A B C--

http://vims.ncsu.edu/Contents/Ch.03/Section.I/Subsection.B/FCC_Rotation.Moov Page 10
FCC volume fraction :

Packing factor

atoms / cell = 8x(1/8)+6x(1/2) = 4

a
Vcell = a3 ; Vatom = 4/3 πR3

a
a Relation: 4R = (2)0.5 a

PF = 4 x 4/3 πR3 / (4/ (2)0.5)3 R3

= (2)0.5 π / 6 = 0.74
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 Crystallographic directions :

[001]
Type : <100>

Specific directions:
[100], [010], and [001]

[010]

[100]

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 Crystallographic directions :

[001] [011]
Type : <110>

Specific directions:
[101] [110], [011], [101],
[-1-10], [0-1-1], [-10-1],
[-110], [0-11], [-101],
[1-10], [01-1], [10-1]
[010]

[100] [110]

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 Crystallographic planes :

[001]
Miller Indices:
x y z
Intercepts: 1 infinite infinite
Reciprocals 1 0 0
lowest integers 1 0 0

[010] Plane (100)

Type {100}
[100]

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 Crystallographic planes :

[001]
Miller Indices:
x y z
Intercepts: 1 1 infinite
Reciprocals 1 1 0
lowest integers 1 1 0

[010] Plane (110)

[100]

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 Crystallographic planes :

[001]
Miller Indices:
x y z
Intercepts: 1 1 1
Reciprocals 1 1 1
lowest integers 1 1 1

[010] Plane: (111)

[100]

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 Crystallographic planes :

[001]
Miller Indices:
x y z
Intercepts: 1/2 infinite -1
Reciprocals 2 0 -1
lowest integers 2 0 -1

[010] Plane: (20-1)

[100]

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