6. Crystal Structures I [annotated]
6. Crystal Structures I [annotated]
6. Crystal Structure I
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How does the crystal structure of a material affect its
mechanical properties?
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Learning objectives
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Lecture 7:
Crystal structure II
Lecture 6:
Crystal structure I
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Bond strength and crystal structure affect the
mechanical properties of the material
• Modulus of Elasticity
(Young’s modulus)
• Resilience
• Yield Strength
• Ultimate Tensile Strength
• % elongation
• % reduction in area
• Toughness
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Definitions for crystalline materials
In metals, many ceramics and certain polymers
Columnar grains
Equiaxed grains
Actual as-cast
microstructure
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The unit cell
The unit cell is the repeating entity that defines the structure
in a crystalline solid
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Body Centered Cubic (BCC) Structure
a = lattice parameter
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Face Centered Cubic (FCC) Structure
a = lattice parameter
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Hexagonal Closed Pack (HCP) Structure
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Characteristics of the unit cell
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BCC FCC HCP
Schematic
Examples Chromium, iron (α, below Copper, aluminum, silver, Cadmium, cobalt,
910 0C), molybdenum, gold titanium (α), zinc
tantalum
Number of
atoms per unit
cell
Coordination
number
Atomic packing
factor
12
Body centered cubic (BCC) structure
A. 1 atom
B. 2 atoms
C. 8 atoms
D. 9 atoms
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Body centered cubic (BCC) structure
A. 1
B. 2
C. 8
D. 9
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Derive the atomic packing factor (APF) for a BCC structure,
given its atomic radius is R.
𝑎𝑡𝑜𝑚𝑠 4 8
𝑉𝑎𝑡𝑜𝑚𝑠 = 2 × 𝜋𝑅3 = 𝜋𝑅3
𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 3 3
4𝑅 3 64𝑅3
𝑉𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 = 𝑎3 =( ) = 3
3 3
4R
𝑉𝑎𝑡𝑜𝑚𝑠
𝐴𝑃𝐹 = = 0.68
𝑉𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙
a
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Face centered cubic (FCC) structure
A. 3 atoms
B. 4 atoms
C. 6 atoms
D. 9 atoms
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Face centered cubic (FCC) structure
A. 4
B. 6
C. 8
D. 12
Are you able to show that the APF for a FCC crystal structure is 0.74?
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Hexagonal Closed Pack (HCP) structure
HCP
Close packed Along the
directions diagonals of the
hexagonal face
Number of atoms 6
per unit cell
Coordination 12
number
Atomic packing 0.74
factor
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BCC FCC HCP
Schematic
Examples Chromium, iron (α, below Copper, aluminum, silver, Cadmium, cobalt,
910 0C), molybdenum, gold titanium (α), zinc
tantalum
Number of 2 4 6
atoms per unit
cell
Coordination 8 12 12
number
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Theoretical density can be determined from
unit cell parameters
• Density ρ = mass per unit volume (kg/m3)
• Theoretical Density ρTh = mass of atoms in unit cell per
volume of unit cell
• Why is there a distinction between theoretical versus actual
density?
𝑛𝐴𝑖
ρ 𝑇ℎ =
𝑉𝑐 𝑁𝐴
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Checkpoint question:
𝑔
𝑛𝐴 4 × 63.5 𝑔
𝜌= = 𝑚𝑜𝑙 = 8.89
𝑉𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 𝑁𝐴 1023 𝑎𝑡𝑜𝑚𝑠 𝑐𝑚3
4.75 × 10−29 𝑚3 6.023 ×
𝑚𝑜𝑙
= 8.89 𝑔/𝑚𝐿
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Iron changes crystal structure with temperature
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Learning objectives
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