03 The Structure of Crystalline Solids
03 The Structure of Crystalline Solids
03 The Structure of Crystalline Solids
ES011
SCIENCE AND
ENGINEERING
3 THE STRUCTURE OF
chapter
CRYSTALLINE SOLIDS
MATERIALS SCIENCE AND ENGINEERING
THE STRUCTURE OF CRYSTALLINE SOLIDS
• How do atoms assemble into solid structures?
• How does the density of a material depend on its
structure?
• When do material properties vary with the sample
(i.e., part) orientation?
CRYSTALLINE SOLIDS
• Crystallinity: Repeating or
periodic array over large atomic
distances. 3-D pattern in which
each atom is bonded to its nearest
neighbors
• Crystal structure: the manner in
which atoms, ions, or molecules
are spatially arranged.
ENERGY AND PACKING
Energy
Non dense, random packing
typical neighbor
bond length
typical neighbor r
bond energy
Dense, ordered packing
Energy
typical neighbor
• Dense, ordered packed bond length
Noncrystalline materials...
• atoms have no periodic packing
• occurs for: -complex structures
-rapid cooling noncrystalline SiO2
Adapted from Fig. 3.23(b),
Callister & Rethwisch 8e.
"Amorphous" = Noncrystalline
METALLIC CRYSTAL STRUCTURES
How can we stack metal atoms to minimize empty
space?
2-dimensions
vs
Coordination # = 6
(# nearest neighbors)
volume
a atoms atom
4
R=0.5a unit cell 1 p (0.5a) 3
3
APF =
close-packed directions a3 volume
contains 8 x 1/8 =
1 atom/unit cell
unit cell
Adapted from Fig. 3.24,
Callister & Rethwisch 8e.
BODY CENTERED CUBIC STRUCTURE (BCC)
• Atoms touch each other along cube diagonals.
ex: Cr, W, Fe (), Tantalum, Molybdenum
Coordination # = 8
2a
atoms volume
4
R unit cell 2 p ( 3a/4 ) 3
Adapted from
Fig. 3.2(a), Callister & a 3 atom
Rethwisch 8e.
APF =
volume
a3
unit cell
FACE CENTERED CUBIC STRUCTURE (FCC)
• Atoms touch each other along face diagonals.
ex: Al, Cu, Au, Pb, Ni, Pt, Ag
Coordination # = 12
Adapted from
Table, "Charac-
teristics of
Selected
Elements",
inside front
cover,
Callister 6e.
𝑛𝐴
𝜌=
𝑉𝐶 𝑁𝐴
THEORETICAL DENSITY
• Example:
Calculate the theoretical density of Chromium. R
a
Crystal Structure: BCC (2 atoms/unit cell) Adapted from
R=0.125 nm A=52.00g/mol
Fig. 3.2(a),
Callister &
Rethwisch 8e.
20 Platinum
B ased on data in Table B1, Callister
*GFRE, CFRE, & AFRE are Glass,
Gold, W
Metals have... Tantalum Carbon, & Aramid Fiber-Reinforced
Epoxy composites (values based on
(g/cm 3)
Titanium
4 Al oxide
Diamond
• less dense packing 3
Aluminum
Si nitride
Glass -soda
Concrete
Glass fibers
0.3
• intermediate values Data from Table B.1, Callister & Rethwisch, 8e.
POLYMORPHISM
• Capability of some materials to possess different
crystal structures
• Property changes accompany such
transformation(volume, density)
• Allotropy – elemental solids with more than one
crystal structure
POLYMORPHISM: GRAPHITE VS. DIAMOND
POLYMORPHISM: ALLOTROPY OF IRON
• Iron changes its structure
when heated.
• Iron has the ability to exist
as BCC or FCC depending
on the temperature.
• This ability is called the
allotropy of iron
MILLER INDEX
• notation used for expressing locations, directions
and planes in crystal lattice systems
−Example: the modulus of elasticity (E) ed., John Wiley and Sons,
1989.)
y (110) y y
a b a b a b
Intensity (relative)
x x x (211)
(200)
Diffraction angle 2q
Diffraction pattern for polycrystalline -iron (BCC) Adapted from Fig. 3.22, Callister 8e.
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