Material Science and

Engineering

ES 10: Chemistry for Engineers

David A. Agbayani

Note: These lecture slides are not meant to be published.

 Why study materials?
Performance

Materials Engineering
Materials Science

Processing

Properties

Structure
 Classification
• Metals

• Ceramics

• Polymers
 Metals
• one or more metallic elements
• often with nonmetallic elements
• dense, stiff, strong, ductile, resistant to fracture
• good conductors of electricity
• some are magnetic

• e.g. Fe, Al, Cu, Ti, steel

 Ceramics
• between metallic and nonmetallic elements
• oxides, nitrides, carbides
• stiff, strong, hard, brittle (not ductile),
susceptible to fracture
• poor conductors of heat and
electricity
• more resistant to high
temperatures

• e.g. porcelain, cement, glass

 Polymers
• organic compounds chemically based on C,
H, and other nonmetallic elements
• very large molecular structures
• low densities, not as stiff or strong, some
are ductile and pliable
• poor conductors of electricity
• soften/decompose in high
temperatures

• e.g. PE, PVC, PS, rubber

 Classification
• Metals

• Ceramics

• Polymers

• Composites
 Atomic Structure
• Bohr Model
 Atomic Structure
• Wave-Mechanical Model
electron
cloud
 Atomic Bonding
• Metallic Bonding

• Ionic Bonding

• Covalent Bonding
 Metallic Bonding
• valence electrons are not bound to any
particular atom
• “sea of electrons”
• nonvalence electrons and atomic nuclei →
ion cores

• found in metals
Metallic Bonding
Metallic Bonding

electricity!
 Ionic Bonding
• between metallic and nonmetallic elements
• metallic element gives up valence electron
to nonmetallic element
• all atoms acquire stable configurations and
an electrical charge → ions

• predominant in ceramics
Ionic Bonding
 Covalent Bonding
• electrons are shared
• directional
• number of possible bonds is dependent on
number of valence electrons
NB = 8 - N V

• predominant in polymers, elemental solids

Covalent Bonding
 Secondary Atomic Bonding
• van der Waals bonding
• physical bonds → weaker
• electric dipoles
 Secondary Atomic Bonding
• Hydrogen bonding
• between molecules in which H is
covalently bonded with F, O, N
• H － F or H － O or H － N
 Secondary Atomic Bonding
• Hydrogen bonding

ice water
 Crystal Structures
• A crystalline material - atoms are situated
in a repeating or periodic array over large
atomic distances

• Crystal structure - the manner in which

atoms, or ions, or molecules are spatially
arranged
 Crystal Structures
• Unit cell - basic structural unit of the crystal
structure
• parallelepipeds or prisms having the
highest level of symmetry

• Hard sphere model

 Metallic Crystal Structures
• minimal restrictions as to number and position of
nearest-neighbor atoms
 large numbers of nearest atoms,
dense atomic packings

• each sphere represents an ion core

• coordination number - number of nearest-neighbor

atoms
 Metallic Crystal Structures
• Face-Centered Cubic (FCC)

• Body-Centered Cubic (BCC)

• Hexagonal Close-Packed (HCP)

 Face-Centered Cubic (FCC)
• for many metals, unit cell: cube

• atoms are located at each of the corners

and the centers of all cube faces

• Cu, Al, Ag, Au

Face-Centered Cubic (FCC)

coordination number: 12
Face-Centered Cubic (FCC)

3
V C  a

a
R
a  2R 2

3
VC  16R 2
a
a
 Body-Centered Cubic (BCC)
• atoms are located at each of the corners
and at the center of the cube

• Cr, Fe, Mo, W

Body-Centered Cubic (BCC)

coordination number: 8
 Body-Centered Cubic (BCC)

3
V C  a

a 4R
a
3

3
R 64R
VC 
a 3 3
a
Hexagonal Close-Packed (HCP)
• top and bottom faces of the unit cell
consist of six atoms that form regular
hexagons and surround a single atom
in the center

• another plane between top and bottom

faces with three additional atoms
Hexagonal Close-Packed (HCP)

coordination number: 12
Hexagonal Close-Packed (HCP)
• Cd, Mg, Ti, Zn

• Ideally, c/a ratio: 1.633 or 8

3
 Atomic Packing Factor (APF)
• atomic packing factor (APF)

volumeof atomsina unitcell

APF
total unitcellvolume

VS
APF 
VC
 Atomic Packing Factor (APF)
• Show that the atomic packing factor for the
FCC crystal structure is 0.74.
VS
APF  VS  (4) 34 πR 3
VC
3
VC 16R 2
3
V (4)
4
πR
 S  33
APF
VC 16R2
APF
0
.74
 Density
• theoretical density (ρ, g/cm3)
nA

VC N A
• n = number of atoms in unit cell (atoms)
• A = atomic weight (g/mol)
• VC = volume of unit cell (cm3)
• NA = Avogadro's number (atoms/mol)
• 6.022 x 1023 atoms/mol
 Density Computation
• Copper has an atomic radius of 0.128 nm, an FCC crystal
structure, and an atomic weight of 63.5 g/mol. Compute its
theoretical density.

n  4 atoms
A  63.5 g/mol
VC  4.75  10 -29 m 3

3
ρ  8.89 g/cm
 Ceramic Crystal Structures
• Review: cations vs anions

• Magnitude of electrical charge

– CaF2, NaCl
• Relative sizes of the cations and anions
 Ceramic Crystal Structures
• coordination number: closely related to
cation-anion radius ratio (rC/rA)

<0.155 0.155-0.225 0.225-0.414

0.414-0.732 0.732-1.0
 Ceramic Crystal Structures
• AX-Type
• AmXp-Type
• AmBnXp-Type
 AX-Type
• Rock Salt Structure

 NaCl
 MgO
 FeO
 AX-Type
• Cesium Chloride Structure

 CsCl
 AX-Type
• Zinc Blende Structure

 ZnS
 SiC
 Density
• theoretical density (ρ, g/cm3)
n'(  AC   AA )

VC N A
• n' = number of formula units in unit cell (atoms)
• ΣAC = sum of atomic weights of all cations in formula unit
(g/mol)
• ΣAA = sum of atomic weights of all anions in formula unit
(g/mol)
• VC = volume of unit cell (cm3)
• NA = Avogadro's number (atoms/mol)
• 6.022 x 1023 atoms/mol
 Density Computation
• Sodium ion has an ionic radius of 0.102 nm and chloride
ion has an ionic radius of 0.181 nm. NaCl maintains the
rock salt crystal structure, and the atomic weights of Na
and Cl are 22.99 g/mol and 35.45 g/mol respectively. What
is its theoretical density?
n' = 4 atoms
ΣAC + ΣAA = 58.44 g/mol
VC = 1.813 x 10-28 m3
NA = 6.022 x 1023 atoms/mol

3
ρ  2.14 g/cm
 Silicate Ceramics
• Silica

• Silica Glasses

• Silicates
 Carbon
• Diamond

• Graphite

• Fullerene
 Polymer Structures
• Hydrocarbon Molecules

saturated
unsaturated
 Polymer Structures
• Polymer Molecules

ethylene active center

 Polymer Structures
• Polymer Molecules
Polymer Structures
polyethylene
 Polymer Structures
monomer polymer

ethylene polyethylene

tetrafluoroethylene polytetrafluoroethylene
Teflon
 Polymer Structures
monomer polymer

vinyl chloride poly(vinyl chloride)

 Molecular Weight
• Number-average molecular weight ( M n )

xi: number fraction

M n   x iM i Mi: mean molecular weight

• Weight-average molecular weight (M w )

wi: weight fraction

M w   wi Mi Mi: mean molecular weight
 Molecular Weight
• Degree of polymerization (DP) -
represents the average number of repeat
units in a chain
Mn
DP 
m

m = molecular weight of the repeat unit (g/mol)

 Molecular Weight
• Number-average molecular weight ( M n )
 Molecular Weight
• Number-average molecular weight ( M n )
 Molecular Weight
• Weight-average molecular weight (M w )
 Molecular Weight
• Weight-average molecular weight (M w )
 Molecular Weight
• Assume that the molecular weight distributions
shown previously are for poly(vinyl chloride).
Calculate its degree of polymerization.

Mn
DP 
m

m = 62.50 g/mol
DP = 338