Part 1

Materials Science and Engineering I
Manolis Doxastakis
University of Houston
Fall 2013
Manolis Doxastakis (University of Houston)
CHEE 3300
Fall 2013
1 / 146
Outline
1
Introduction
Atomic structure and interatomic bonding
The structure of crystalline solids
Imperfections in solids
Diffusion
Mechanical properties of metals
CHEE 3300
Fall 2013
2 / 146
Introduction
Materials drive our society

Development of many technologies associated with the accessibility of suitable
materials
Stone Age ( 2.5 million BC)
I
I
I
handmade tools and objects found in nature - sharpened stone,

bow and arrow, handaxe
hunting and gathering economy
mobile tribes
Bronze Age ( 3500 BC)

I
I
I
copper and bronze tools, potters wheel

agriculture, cattle breeding, craft trade
farmsteads
Iron Age ( 1000 BC)

I
I
iron tools
formation of cities
Now? (Silicon Age?,Polymer Age?)

CHEE 3300
Fall 2013
3 / 146
Introduction
What is materials science and engineering?

Structure (microscopic, macroscopic)
Property (mechanical, electrical, thermal, magnetic, optical, and
deteriorative)
Processing
Performance
CHEE 3300
Fall 2013
4 / 146
Introduction
Materials Science and Engineering
Example
Optical properties of
thin disk speciments
of aluminum oxide
CHEE 3300
Fall 2013
5 / 146
Introduction
Classification of Materials
Basic classification of solid materials

Metals
I
I
I
I
I
I
I
large number of free electrons

electrically conductive
thermally conductive
non-transparent to light
polished surface is mirror-like
often strong, deformable
variety of chemical reactivities, melting points
CHEE 3300
Fall 2013
6 / 146
Introduction

Ceramics
I
I
I
I
usually oxides, nitrides, carbides

usually low electrical conductivity (sometimes semiconductors)
usually poor thermal conductivity (exception:diamond)
hard and brittle
CHEE 3300
Fall 2013
7 / 146
Introduction

Polymers
I
I
I
usually complex organic structures

low density
usually electrically insulating (can also be conducting and
semiconducting)
CHEE 3300
Fall 2013
8 / 146
Introduction
Density
CHEE 3300
Fall 2013
9 / 146
Introduction
Stiffness
CHEE 3300
Fall 2013
10 / 146
Introduction
Strength
CHEE 3300
Fall 2013
11 / 146
Introduction
Resistance to fracture
CHEE 3300
Fall 2013
12 / 146
Introduction
Electrical conductivity
CHEE 3300
Fall 2013
13 / 146
Introduction
Advanced materials
Semiconductors
I
slight electrical conductors (trace, intentional impurities, called

dopants, drastically increase conductivity)
Composites
I
mixture of 2 or more materials from the above list (get the best of
the properties of both and/or new properties)
e.g. fiberglass (epoxy (polymer) + glass fibers)
Bio-materials
I
usually means biologically compatible materials (materials that can

be placed in the body)
can be made of any of the above materials
Nano-materials
I
material composed of small particles (1 to 100 nm size) that have

properties that are different from that of the bulk material (e.g.
small Si particles emit light when current is passed through them.
Bulk Si does not)
CHEE 3300
Fall 2013
14 / 146
Introduction
All solid materials are either:

Crystalline
I
single crystal - all the atoms in object are in a periodic, coherent

arrangement. [e.g. Si wafer, Si Transmission Electron Micrograph]
polycrystalline - object composed of many single crystals with
different orientations. [e.g. poly-Si, Nb-Hf-W plate. Boundaries
between crystallites called grain boundaries]
nanocrystalline - polycrystalline, only crystallites so small (1 to 10
nm dia.) that they have different properties than larger crystallites.
Amorphous
I
atoms have no long range order. Example: glass
Composites
I
composed of combinations of crystalline and/or amorphous,

different materials. Example: steel reinforced concrete.
CHEE 3300
Fall 2013
15 / 146
Introduction
The materials selection process
The materials selection process

1
Pick Application Determine required Properties

(mechanical, electrical, thermal, magnetic, optical, deteriorative)
Properties Identify candidate Material(s)
(structure, composition)
Material Identify required Processing
(casting, vapor deposition, doping forming, joining, annealing)
Example
Electrical Resistivity of Copper:
Adding impurity atoms to
Cu increases resistivity
Deforming Cu increases
resistivity
CHEE 3300
Fall 2013
16 / 146
Atomic structure - fundamental concepts
Atomic structure - fundamental concepts

atom
(electrons - 9.111031 kg, protons, neutrons - 1.671027 kg)
atomic number
= # of protons in nucleus of atom = # of electrons of neutral species
A [=] atomic mass unit = amu = 1/12 mass of 12 C
Atomic wt = wt of 6.023 x 1023 molecules or atoms
(1 amu/atom = 1 g/mol)
Models for atom
Bohr Model:
electrons orbit the
(+)-charged nucleus in discrete
orbits with quantized energy.
Too simplistic. Only works well
for principal energy levels of
H-atom
Wave mechanical model:

Electron wave clouds exist at discrete
energies. Electron positions can only be
described by probabilities. Solutions to
wave-mechanic equations yield
quantum numbers that describe the
energies of the electrons.
CHEE 3300
Fall 2013
17 / 146
Electrons in atoms
Bohr model:
CHEE 3300
Fall 2013
18 / 146
Electrons in atoms
(a) Bohr and (b) wave-mechanical model
CHEE 3300
Fall 2013
19 / 146
Quantum numbers
Quantum numbers
Electrons have wavelike and particulate properties.

Electrons are in orbitals defined by a probability.
Each orbital at discrete energy level determined by quantum
numbers.
Quantum Number
n = principal (energy level-shell)
l = subsidiary (orbitals)
ml = magnetic
ms = spin
CHEE 3300
Designation
K, L, M, N, O (1, 2, 3, etc.)
s, p, d, f (0, 1, 2, 3,. . ., n-1)
1, 3, 5, 7 (-l to +l)
1
1
2, 2
Fall 2013
20 / 146
Quantum numbers
principal quantum number, n (or shell: K, L, M, . . .)

n = 1 (K)
n = 2 (L)
n = 3 (M)
n = 4 (N)
increasing distance
from nucleus
increasing orbital
energy
increasing energy
to remove electron
from atom (i.e. to form
ion )
sub-shell quantum number, l (or s, p, d, . . . orbitals)

(l = 0, 1, . . ., n-1, l = 0 s, l = 1 p, l = 2 d, l = 3 f )
magnetic sub-levels (or sub-sub-shell) quantum number, ml
(ml = 0, 1, . . . , l. Therefore 2l + 1 mag. sub-levels per sub-shell)
l=0
ml = 0
l=1
ml = 0, 1
l=2
ml = 0, 1, 2
no magnetic field
(equal energy)
px , py , px
magnetic field
(energies split)
electron spin quantum number, ms = +1/2 , -1/2, for each ml

CHEE 3300
Fall 2013
21 / 146
Quantum numbers
Electron quantum number notation:

n, l, ml , (ms )
e.g. 2 1 1 (1/2)
Pauli exclusion principal: no 2 electrons in an atom can have the
same quantum numbers.
Hundss first rule: maximize the number of ml levels:
Orbitals fill from the bottom up (1s, 2s, 2p, . . .)

Highest unfilled shell called valence shell
Lower filled shells called core levels
Orbitals often hybridize, such as C 2s2 2p2 orbitals become sp3
where all 4 orbitals are equivalent. Forms tetrahedral (109
angles).
CHEE 3300
Fall 2013
22 / 146
Electron configuration
Electron energy states

Electrons have discrete energy states
tend to occupy lowest available energy state
CHEE 3300
Fall 2013
23 / 146
Most elements: electron configuration not stable
Why? Valence (outer) shell usually not filled completely.

Valence electrons determine all of the following properties:
Chemical, Electrical, Thermal, Optical
CHEE 3300
Fall 2013
24 / 146
Valence electrons those in unfilled shells

Filled shells more stable
Valence electrons are most available for bonding and tend to
control the chemical properties
Example
C (atomic number = 6)
CHEE 3300
Fall 2013
25 / 146
Example
Fe - atomic number = 26
1s2 2s2 2p6 3s2 3p6 3d6 4s2
CHEE 3300
Fall 2013
26 / 146
Periodic table
The Periodic Table

columns similar valence structure
CHEE 3300
Fall 2013
27 / 146
Periodic table
electronegativity ranges from 0.7 to 4.0

large values tendency to acquire electrons
CHEE 3300
Fall 2013
28 / 146
Atomic bonding in solids
Ionic bonding
Ionic bond
metal
donates electrons
nonmetal
accepts electrons
Dissimilar electronegativities
Example
Mg
1s2 2s2 2p6 3s2
1s2 2s2 2p4
1s2 2s2 2p6

[Ne]
MgO:
Mg
1s2 2s2 2p6

[Ne]
CHEE 3300
Fall 2013
29 / 146
Ionic bonding
Occurs between + and - ions (requires electron transfer)
Net charge remains zero.
All (+) ions surrounded by (-) ions and vice versa.
Example
CHEE 3300
Fall 2013
30 / 146
Isolated ion pair
Net force FN sum of both

attractive and repulsive
components:
FN = FA + FR
Net potential
energy EN
R
(E = Fdr F = dE
dr ):
EN = EA + ER
Z r
Z r
=
FA dr +
FR dr
CHEE 3300
Fall 2013
31 / 146
Isolated ion pair

Attractive energy:
A
EA =
r
z1 z2 e2
where A =
40
z1 , z2 : charges of (+) and
(-) ion (1, 2, . . .)
e : elementary charge =
1.602 1019 C
0 : permitivity of free
space = 8.85 1012 F/m
Repulsive energy:
B
ER = n
r
B: empirical constant
n: empirical constant
CHEE 3300
Fall 2013
32 / 146
Isolated ion pair

r0 is the equilibrium
bond length:
dEN
=0
F=
dr

d
A B
+ n
=0
dr
r r r=r0
(n+1)
Ar2
nBr0
=0
0
1
1n
A
r0 =
nB
E0 is the minimum
potential energy:
A B
E0 = + n
r0 r0
CHEE 3300
Fall 2013
33 / 146
Example
Calculate the attractive force between K+ and O2 at r = 1.5 nm
F=

d
A
A
dEA
z1 z2 e2
=
= 2 F=
dr
dr
r
r
40 r2
F=
2
(1)(2)(1.6 1019 C)2
10 C
=
2.05
10
Fm
4(8.85 1012 F/m)(1.5 109 m)2
F = 2.05 1010 N
CHEE 3300
Fall 2013
34 / 146
Covalent bonding
2 electrons are shared in single

bonds
Example
Unlike ionic bonding, covalent

bonds are directional
With the exception of single
element solids, all bonds are a
combination of ionic and covalent.
% ionic character =
{1 exp[(0.25)(XA XB )2 )} 100
CHEE 3300
Fall 2013
35 / 146
Metallic Bonding
Example
Electrons are not bound to a

particular atom
Good conductors of both
electricity and heat
CHEE 3300
Fall 2013
36 / 146
Secondary Bonding or van der Waals

Between atoms or molecules
Permanent Dipole Bonds
Example
Polar Molecule-Induced Dipole Bonds
Fluctuating Induced Dipole Bonds
CHEE 3300
Fall 2013
37 / 146
Introduction

The properties of solid materials are related to how atoms pack
(carbon graphite, diamond)
Non dense random packing
Dense ordered packing
Dense, ordered packed structures tend to have lower energies.

CHEE 3300
Fall 2013
38 / 146
Introduction
Materials and packing

Crystalline materials:
atoms pack in periodic, 3D
arrays
typical of:
I
I
I
Example
metals
many ceramics
some polymers
Noncrystalline materials. . .
atoms have no periodic
packing
occurs for:
I
I
complex structures
rapid cooling
Amorphous=Noncrystalline
CHEE 3300
Fall 2013
39 / 146
Introduction
Unit cell
Smallest repetitive volume which contains the complete lattice
pattern of a crystal
When translated 1 unit cell distance along each edge will create
the complete crystal.
CHEE 3300
Fall 2013
40 / 146
Metallic crystal structures

Tend to be densely packed
Reasons for dense packing:
I
Typically, only one element

is present, so all atomic radii
are the same.
Metallic bonding is not
directional.
Nearest neighbor distances
tend to be small in order to
lower bond energy.
Electron cloud shields cores
from each other
Have the simplest crystal

structures.
CHEE 3300
Fall 2013
41 / 146
Simple cubic structure (SC)

2D:
Rare due to low packing density (only Po has this structure)
Read more:
http://mathworld.wolfram.com/CirclePacking.html
http://en.wikipedia.org/wiki/Sphere_packing
CHEE 3300
Fall 2013
42 / 146

Coordination number=6
(# nearest neighbors)
1 Atom per unit cell (8 1/8)
Definition
Atomic Packing Factor (APF) =
Volume of atoms in unit cell

Volume of unit cell
For SC: APF = (atoms/cell) (volume/atom) / (volume/unit cell) =

= 1 43 (0.5a)3 /a3 = 0.52
CHEE 3300
Fall 2013
43 / 146

Definition

Volume of unit cell

= 1 34 (0.5a)3 /a3 = 0.52
CHEE 3300
Fall 2013
43 / 146

Definition

Volume of unit cell

= 1 34 (0.5a)3 /a3 = 0.52
CHEE 3300
Fall 2013
43 / 146
Three crystal structures are found for most of the common metals:
face-centered cubic (FCC)
body-centered cubic (BCC)
hexagonal close-packed (HCP)
CHEE 3300
Fall 2013
44 / 146
Face Centered Cubic Structure (FCC)
e.g. Al, Cu, Au, Pb, Ni, Pt, Ag

Coordination # = 12
4 atoms/unit cell: 6 face 1/2
+ 8 corners 1/8
CHEE 3300
Fall 2013
45 / 146
Atomic packing factor: FCC
a2 + a2 = (4R)2 a = 2R 2
Unit cell volume Vc = a3 = 16R3 2

Volume of unit cell
APF=4 34 R3 /(16R3 2) = 0.74

APF =
CHEE 3300
Fall 2013
46 / 146
Body Centered Cubic Structure (BCC)
e.g.Cr, W, Fe, Tantalum, Molybdenum

Coordination # = 8
2 atoms/unit cell: 1 center + 8 corners 1/8
CHEE 3300
Fall 2013
47 / 146
Atomic packing factor: BCC
4R =
3a

Volume of unit cell
APF=2 34 ( 3a/4)3 /a3 = 0.68
APF =
CHEE 3300
Fall 2013
48 / 146
Hexagonal Close-Packed Crystal Structure
e.g.Cd, Mg, Ti, Zn

Coordination # = 12
6 atoms/unit cell:
1/6 12 top and bottom
planes + 1/2 over 2 face
and 3 interior
APF=0.74
c/a = 1.633
CHEE 3300
Fall 2013
49 / 146
Density computations
Density computations
A knowledge of the crystal structure permits computation of
theoretical density :
nA
=
VC NA
where
n =number of atoms associated with each unit cell
A =atomic weight
VC =volume of the unit cell
NA =Avogadros number 6.023 1023 atoms/mol
Example
Cr: A=52 g/mol, BCC, R=0.125 nm
252 g/mol
=
= 7.17g/cm3
8
3
NA (41.2510 m/ 3)
CHEE 3300
Fall 2013
50 / 146
Polymorphism
polymorphism: two or more distinct crystal structures for the

same material (allotropy/polymorphism)
CHEE 3300
Fall 2013
51 / 146
Crystal systems
Crystal systems
Lattice parameters: a, b, c, , ,
All crystal systems can be described by these parameters
Seven different combinations: cubic, tetragonal, hexagonal,
orthorhombic, rhombohedral, monoclinic, and triclinic
CHEE 3300
Fall 2013
52 / 146
Crystal systems
Seven Crystal Systems
CHEE 3300
Fall 2013
53 / 146
Crystallographic points, directions and planes
Crystallographic points or lattice points

Specify a particular point within a unit cell
Right-handed coordinate system x, y, and z (not always mutually
perpendicular)
point coordinates: q (along x), r (along y), and s (along z), are
multiples or fractions of unit cell lengths.
e.g. unit cell center:
1 1 1
2 2 2,
corner 1 1 1
CHEE 3300
Fall 2013
54 / 146
Crystallographic directions
Vector connecting two points q r s and q0 r0 s0 . The length q0 q,
r0 r and s0 s define the vector components
Position such that it passes through origin.
Measure length in unit cell dimensions a, b and c.
Reduce to smallest integer values u, v and w.
Enclose in brackets [u v w]. Negative - overbar.
CHEE 3300
Fall 2013
55 / 146
For unit cells with rotational symmetry, some non-parallel

directions are equivalent. The more symmetry, the more
directions that are equivalent.
For example for cubic unit cells (FCC, BCC, SC): [100], [010], [001],
[001]
are equivalent
[100],
[010],
[1 10],
[10
1],
[01 1]
etc.
and [110], [101], [011], [110],
[101],
[011],
Families, grouped together, enclosed in brackets: < 100 > and
< 110 >.
CHEE 3300
Fall 2013
56 / 146
Crystallographic planes
Defined with Miller indices h, j k, enclosed with ( )

To assign Miller indices to a plane:
if plane intersects origin, move the plane parallel within the unit
cell or move the origin to the corner of another unit cell.
find plane-axes intercepts in units of lattice lengths.
take recriprocals of intercepts.
divide to get smallest integers
enclose in ( ).
CHEE 3300
Fall 2013
57 / 146
Example
Intercepts
Reciprocals
Reduction
Miller indices
a
1
1/1
1
(110)
b
1
1/1
1
1/
0
CHEE 3300
Fall 2013
58 / 146
Example
Intercepts
Reciprocals
Reduction
Miller indices
a
1/2
1/ 12
2
(100) equiv. to (200) ?
CHEE 3300
1/
0
1/
0
Fall 2013
59 / 146
Example
Intercepts
Reciprocals
Reduction
Miller indices
a
1/2
1/ 12
2
6
(634)
b
1
1/1
1
3
c
3/4
1/ 34
4/3
4
CHEE 3300
Fall 2013
60 / 146
Example
What if plane passes through origin?
CHEE 3300
Fall 2013
61 / 146
Crystallographic planes
all parallel planes are
equivalent, e.g. (010) and
(010).
as with directions,
symmetry makes many
planes equivalent.
e.g. for cubic lattices (BCC,
FCC, SC) (100), (010), (001),
and (001)
are
(100),
(010),
an equivalent family of
planes, {100}
(hjk) perpendicular to [h j k]
for cubic lattices only
CHEE 3300
Fall 2013
62 / 146
Construction of specified crystallographic plane

if no zeros, take reciprocals and construct a plane from 3 points.
If 1 zero, take other 2 reciprocals, connect them with a line and
slide the line 1 lattice unit along the zero direction. Close the
rectangle.
If 2 zeros, take other 1 reciprocal, and slide point 1 lattice unit
along the 2 zero directions. Close the rectangle.
Example
CHEE 3300
Fall 2013
63 / 146
Atomic arrangement
Reduced-sphere FCC unit cell with (110) plane

CHEE 3300
Fall 2013
64 / 146
Atomic arrangement
Reduced-sphere BCC unit cell with (110) plane

CHEE 3300
Fall 2013
65 / 146
Linear and planar densities

Definition
Linear Density (LD)=
number of atoms centered on direction vector

length of direction vector
Example
Linear density of the [110] direction for FCC
LD110 = 2
+1+
4R
1
2
1
2R
CHEE 3300
Fall 2013
66 / 146
Linear and planar densities

Definition
Planar Density (PD)=
number of atoms centered on a plane

area of plane
Example
Planar density of the (110) for FCC
PD110 =
1
4R2
1
4
+2
1
2
2R 2 4R
CHEE 3300
Fall 2013
67 / 146
Example
Planar Density of (100) Iron
Solution: At T < 912 C iron has the BCC structure.
Radius of iron R = 0.1241 nm

1
1
Planar density = 2 = 2 = 12.1 atoms/nm2 = 1.21019 atoms/m2
a
4 3
3 R
CHEE 3300
Fall 2013
68 / 146
Example
2
area= 2ah = 3a2 = 3 4 3 3 R =
Planar Density =
16 3 2
3 R
=7
16 3 2
3 R
atoms/nm2 =0.71019
CHEE 3300
atoms/m2
Fall 2013
69 / 146
Example
CHEE 3300
Fall 2013
70 / 146
Close-packed crystal structures

FCC
HCP
CHEE 3300
Fall 2013
71 / 146
Closed-pack stacking sequences
CHEE 3300
Fall 2013
72 / 146
HCP
Stacking sequence: ABABABAB . . .
CHEE 3300
Fall 2013
73 / 146
FCC
Stacking sequence: ABCABCABCABC . . .
CHEE 3300
Fall 2013
74 / 146
Crystalline and noncrystalline materials
Crystalline and noncrystalline materials

Single Crystal - recently
extremely important
I
Properties vary with

direction: anisotropic e.g.
elastic modulus, index of
refraction
Polycrystalline
I
Properties may/may not

vary with direction.
If grains are randomly
oriented: isotropic.
If grains are textured,
anisotropic.
Grain sizes typ. range from
1 nm to 2 cm
Noncrystalline solids
CHEE 3300
Fall 2013
75 / 146
Determination of crystal structures
X-ray diffraction
n = 2dhkl sin
For cubic symmetry dhkl =
a
h2 +k2 +l2
CHEE 3300
Fall 2013
76 / 146
Determination of crystal structures
X-ray diffraction
CHEE 3300
Fall 2013
77 / 146
There is no such thing as a perfect crystal.
Many of the important properties of materials are due to the
presence of imperfections.
Imperfection:
Chemical - foreign element - e.g. Ni in Cu, P in Si
Structural
I
0D - missing or extra atom (point defects)

F
F
F
I
I
Vacancy atoms
Interstitial atoms
Substitutional atoms
1D - dislocation
2D - grain boundary, surface
CHEE 3300
Fall 2013
78 / 146
Point defects
Vacancies and Self-interstitials

vacant atomic sites in a structure:
extra atoms positioned between atomic sites.
CHEE 3300
Fall 2013
79 / 146
Point defects
Vacancies and Self-interstitials
All crystalline solids contain vacancies

Equilibrium number of vacancies Nv :

Qv
Nv = N exp
kT
where:
N: total number of atomic sites
Qv : energy required for the formation of a vacancy site
T: absolute temperature
k: Boltzmanns constant (1.381023 J/atom-K)
CHEE 3300
Fall 2013
80 / 146
Point defects
Example
Estimating vacancy concentration:
Find the equil. number of vacancies in 1 m3 of Cu at 1000 C
Given:
= 8.4 g/cm3 , ACu = 63.5 g/mol, NA = 6.02 1023 atoms/mol,
QV = 0.9 ev/atom.
NA
N =
= 8.0 1028 atoms/m3
ACu
At 1000 C (1273 K):

Qv
Nv = N exp
= 2.2 1025 vacancies/m3
kT
CHEE 3300
Fall 2013
81 / 146
Point defects
Impurities in solids
Pure metal is not possible.

intentional or unintentional
intentional (e.g. copper in silver): alloy = solid solution
benefits:
I
I
I
I
I
increased strength
increased hardness
corrosion resistance
increased electrical conductivity (for semiconductors)
desired optical properties
CHEE 3300
Fall 2013
82 / 146
Point defects
If impurity (B) added to host (A):

Solid solution of B in A
Solid solution and/or

Second phase:
(different composition
and/or structure)
solvent/solute terminology
solvent-major component
solute-minor component
(sometimes more or less equal concentrations)
CHEE 3300
Fall 2013
83 / 146
Point defects
Conditions for substitutional solid solution (S.S.)

W. Hume-Rothery rule
1
r (atomic radius) < 15%
Proximity in periodic
table i.e., similar
electronegativities
Same crystal structure

for pure metals
Valency
Example
Copper and Nickel?
Carbon and Iron?
CHEE 3300
Fall 2013
84 / 146
Point defects
Specification of composition
Definition
Weight Percent, wt%
i.e. for two components
m1
100
m1 + m2
C1 =
where mi mass of component i
Definition
Atom Percent, at%
i.e. for two components
C01 =
nm1
100
nm1 + nm2
where nm,i number of moles of component i, nm,i =

CHEE 3300
mi
Ai
Fall 2013
85 / 146
Point defects
Sometimes it is necessary to convert, i.e. conversion of weight percent

to atom percent for a two element alloy:
C01 =
C1 A2
100 where Ai atomic weight of i
C1 A2 + C2 A1
Proof: If total alloy mass M0 = m01 + m02 :

nm1
100 =
C01 =
nm1 + nm2
C01 =
C1 M0
100A1
C1 M0
C2 M0
100A1 + 100A2
m01
A1
m01
A1
100 =
CHEE 3300
m02
100
m01 =C1 M0 /100
A1
C1 A2
100
C1 A2 + C2 A1
Fall 2013
86 / 146
Point defects
Example
Alloy is 3wt% C, 48wt% Fe, 49wt% Ni.
Calculate atom (mole) percent composition.
Assume 100g total mass:
moles C =
3g
12.01 g/mole
moles Fe =
48 g
55.85 g/mole
moles Ni =
49 g
58.69 g/mole
% moles C =
ntotal = 0.250 + 0.859 + 0.835 = 1.944

= 0.859
= 0.835
= 0.250
0.250
1.944
100 = 12.9%
% moles Fe =
0.859
1.944
100 = 44.2%
% moles Ni =
0.835
1.944
100 = 42.9%
CHEE 3300
( check sum=100 ! )
Fall 2013
87 / 146
Point defects
Example
Alloy has 1 g C, 2 moles Fe and 0.1 moles Ni per cm3 of alloy.
Find wt%. Given: C = 2.25 g/cm3 , Fe = 7.87 g/cm3 , Ni = 8.90 g/cm3 .
1 g of C
2 moles of Fe 55.85 g/mole =111.7 g Fe
wNi g of Ni: 0.1 moles/cm3 alloy 58.69 g/mole = 5.869 g/cm3 alloy =
Assume Va = V1 + V2 + V3 =
Va = 14.6375 +
w
5.869 = VNia
wNi
8.90
w1
1
wNi
5.869
+ w22 +
w3
3
= 14.6375 +
1g C
2.25 g/cm3
wNi
8.90
wNi
Va
111.7 g Fe
7.87 g/cm3
+ 8.90 gNi/cm3
wNi = 252 g
1
111.7
wt% C= 1+111.7+252
100 = 0.27, wt% F= 364.7
100 = 30.6,
252
wt% Ni= 364.7 100 = 69.1
CHEE 3300
Fall 2013
88 / 146
Line defects
Line defects
One dimensional defects around which atoms are misaligned.

Edge dislocation:
I
I
extra half-plane of atoms inserted in a crystal structure

b to dislocation line
Screw dislocation:
I
I
spiral planar ramp resulting from shear deformation

b|| to dislocation line
Burgers vector, b: measure of lattice distortion
CHEE 3300
Fall 2013
89 / 146
Line defects
Edge dislocation
CHEE 3300
Fall 2013
90 / 146
Line defects
Screw dislocation
CHEE 3300
Fall 2013
91 / 146
Planar defects
Planar defects
Boundaries that have two dimensions and normally separate regions
of materials that have different crystallographic orientations:
external surfaces
grain boundaries
stacking faults (e.g. for FCC metals an error in ABCABC packing
sequence :ABCABABC)
phase boundaries
twin boundaries
CHEE 3300
Fall 2013
92 / 146
Planar defects
Grain boundaries
CHEE 3300
Fall 2013
93 / 146
Microscopic examination
Optical microscopy
Useful up to 2000 magnification.
Polishing removes surface features (e.g., scratches)
Etching changes reflectance, depending on crystal orientation.
Other techniques: electron microscopy (transmission and scanning)

and scanning probe microscopy.
CHEE 3300
Fall 2013
94 / 146
Scanning probe micrograph showing a (111)-type surface for silicon
CHEE 3300
Fall 2013
95 / 146
Grain size determination

Grain size is often determined in polycrystalline materials in terms of
average grain volume, diameter or area.
Intercept Method:
Draw straight lines of same length
Count grains intersected by each line
Average grain diameter = average of line length over number of
grains intersected (divided by magnification)
ASTM: n grain size number (1-10). Magnification of 100. If N the
average number of grains per square inch at 100:
N = 2n1
CHEE 3300
Fall 2013
96 / 146
Diffusion
Introduction
Diffusion
Material transport by atomic motion

Mechanisms in solids:
Vacancy diffusion
Interstitial diffusion
Along grain boundaries
CHEE 3300
Fall 2013
97 / 146
Diffusion
Introduction
Interdiffusion
In an alloy, atoms tend to migrate from regions of high concentration
to regions of low concentration
CHEE 3300
Fall 2013
98 / 146
Diffusion
Introduction
Self-diffusion
In an elemental solid, atoms also migrate.
CHEE 3300
Fall 2013
99 / 146
Diffusion
Diffusion mechanisms
Vacancy diffusion
atoms exchange with vacancies
applies to substitutional impurities atoms
rate depends on:
I
I
number of vacancies
activation energy to exchange.
CHEE 3300
Fall 2013
100 / 146
Diffusion
Interstitial diffusion
Smaller atoms can diffuse between atoms.
More rapid than vacancy diffusion
CHEE 3300
Fall 2013
101 / 146
Diffusion
Example
Case Hardening:
Diffuse carbon atoms into the
host iron atoms at the surface.
Example of interstitial
diffusion is a case hardened
gear.
Result: The presence of C
atoms makes iron (steel)
harder.
CHEE 3300
Fall 2013
102 / 146
Diffusion
Steady-state diffusion
Definition
J = Flux =
kg
moles (or mass) diffusing
mol
=
or 2
2
(surface area)(time)
cm s
m s
Measured empirically:
Make thin film (membrane) of known surface area
Impose concentration gradient
Measure how fast atoms or molecules diffuse through the
membrane
M
1 dM
=
J=
At A dt
If the diffusion flux does not change with time, a steady-state condition
exists.
CHEE 3300
Fall 2013
103 / 146
Diffusion
Ficks first law - Steady state
Flux proportional to concentration gradient

dC C CB CA
=
dx
x
xB xA
Ficks first law: J = D
dC
dx
CHEE 3300
Fall 2013
104 / 146
Diffusion
Example
Methylene chloride is a common ingredient of paint removers. Besides
being an irritant, it also may be absorbed through skin. When using
this paint remover, protective gloves should be worn. If butyl rubber
gloves (0.04 cm thick) are used, what is the diffusive flux of methylene
chloride through the glove? Given data:
diffusion coefficient in butyl rubber: D = 110 108 cm2/s
surface concentrations: C1 = 0.44 g/cm3 , C2 = 0.02 g/cm3
Assuming linear concentration gradient:
J = D
dC
C2 C1
D
with x2 x1 =0.04 cm
dx
x2 x1
J = (110 108 cm2/s)
0.02 g/cm3 0.44 g/cm3

= 1.16 105 g/cm2 s
0.04 cm
CHEE 3300
Fall 2013
105 / 146
Diffusion
Factors that influence diffusion

Diffusing species
CHEE 3300
Fall 2013
106 / 146
Diffusion

Temperature
Diffusion coefficient increases with increasing T

Qd
D = D0 exp
RT
where
D
D0
Qd
R
T
= diffusion coefficient (m2/s)

= pre-exponential (m2/s)
= activation energy (J/mol or eV/atom)
= gas constant (8.314 J/molK)
= absolute temperature (K)
CHEE 3300
Fall 2013
107 / 146
Diffusion
Example
CHEE 3300
Fall 2013
108 / 146
Diffusion
Example
At 300 C the diffusion coefficient and activation energy for Cu in Si
are:
D(300 C) = 7.8 1011 m2/s
Qd = 41.5 kJ/mol
What is the diffusion coefficient at 350 C?
T1 = 273 + 300 = 573 K,

Q
ln D2 = ln D0 Rd T12

Q
ln D1 = ln D0 Rd T11
T2 = 273 + 350 = 623 K

Qd 1
D2
1
ln
D
ln
D
=
ln
=
2
1
D1
R T2 T1
D2 = 15.7 1011 m2/s

CHEE 3300
Fall 2013
109 / 146
Diffusion
Nonsteady-state diffusion
The concentration of diffusing species is a function of both time
and position C = C(x, t)
Time-dependent (non-steady-state) is described by Ficks second
law. In 1D:
!
J
C
C
=
=
D
t
x x
x
If D is not a function of x (1D), then:
C
2 C
=D 2
t
x
Can solve equations for a number of different boundary
conditions and geometries. Numerical methods can often be used
when analytical solution not possible.
CHEE 3300
Fall 2013
110 / 146
Diffusion
Example
Semi-infinite slab
Boundary Conditions (B.C.):

at t = 0, C = C0 for 0 x
at t > 0, C = CS for x = 0 (const. surf. conc.)
C = C0 for x =
CHEE 3300
Fall 2013
111 / 146
Diffusion
Example
Semi-infinite slab
x
Cx C0
= 1 erf
Cs C0
2 Dt
where erf(z)=Gaussian
error function defined by
Z z
2
2
erf(z) =
ey dy
0
CHEE 3300
Fall 2013
112 / 146
Diffusion
x
Cx C0
= 1 erf
Cs C0
2 Dt
Example
Compute Cx /Cs at t = 100 s, x = 1 104 cm, for D = 1 108 cm2/s,
C0 = 0:
4 cm
10
Cx
= 1 erf(0.05) 1 0.05 = 0.95
= 1 erf p
Cs
2 1 108 cm2/s 100 s
CHEE 3300
Fall 2013
113 / 146
Diffusion
For some desired, constant Cx , (Cx C0 )/(Cs C0 ) = constant

Therefore right hand side of semi-inf. Slab eq. = constant
Therefore x = constant
2 Dt
Example
Suppose you want to know how long it will take for a species to
diffuse a distance x, such that the concentration Cx is half that of the
surface concentration:
(C0 = 0):
!
!
Cx (x, t) C0 1
x
x
1
= = 1 erf
erf
=
Cs C0
2
2
2 Dt
2 Dt
from table 5.1 with interpolation, when erf(z)=0.5, z=0.48:
1
x
x Dt
2 2 Dt
CHEE 3300
Fall 2013
114 / 146
Diffusion
Example
Cadmium (Cd) is sometimes used as p-type dopant in indium phospide
(InP), a semiconductor. Start with an InP wafer that is doped with zinc (Zn),
an n-type dopant. The Zn atom concentration throughout the wafer is
uniform and equal to 1 1018 cm3 . Now instantaneously introduce Cd vapor
on one side of the wafer and instantaneously heat the wafer to 650 C (923K)
such that the concentration of Cd at the surface is 2 1018 cm3 . Since this Cd
concentration exceeds the Zn concentration, the surface now is p-type. As
time passes, the surface Cd concentration remains fixed at 2 1018 cm3 ,
while Cd diffuses increasingly deeper into the InP wafer. The sub-surface
planar boundary separating p-type and n-type InP occurs at a depth at which
the concentration of Cd equals that of Zn (i.e. 1 1018 cm3 ). The distance
between the plane and the surface is referred to as the p-n junction depth.
Given that the diffusion coefficient of Cd in InP is 2.7 1011 cm2/s, what are
the p-n junction depths at times of 10 seconds, 20 minutes and 2 hours after
introducing Cd vapor at the surface?
CHEE 3300
Fall 2013
115 / 146
Diffusion
Example
(cont.)
Surface concentration of Cd: Cs = 2 1018 cm3
Cs
p-n junction at concentration: 1 1018 cm3 =
2
distance given in previous example... x Dt
q
10 seconds: x = 2.7 1011 cm2/s 10 s = 1.64 105 cm
q
20 minutes: x = 2.7 1011 cm2/s 20 60 s = 1.8 104 cm
q
2 hours: x = 2.7 1011 cm2/s 2 3600 s = 4.4 104 cm
CHEE 3300
Fall 2013
116 / 146
Diffusion
Example
A surface hardening process requires that an impurity diffuses into a work
piece. Starting with a surface concentration, Cs = 2 1019 cm3 independent
of temperature, and no impurity in the work piece initially (C0 = 0), it is
observed that 30 minutes is required at 500 C to achieve the desired result of
Cx = 1 1019 cm3 at x = 104 cm. It is further observed that the same result
can be obtained in 20 minutes at 550 C.
Assuming the usual Arrhenius temperature-activated behavior for the
diffusion coefficient a) first find Qd /R, the activation energy for diffusion
divided by the gas constant. For the manufacturing of this treated work piece
to be profitable, the diffusion step must be completed in 10 minutes b) What
temperature should be used to complete the diffusion step with the desired
result in 10 minutes?
Cx =
Cs
, x Dt
2
t1 = 30 min T1 = 773 K
t2 = 20 min T2 = 823 K
t3 = 10 min T3 =?K
CHEE 3300
D1 t1 = D2 t2 = D3 t3
Fall 2013
117 / 146
Diffusion
Example
(cont.)
Q
d

Qd
Qd
D1 t2 D0 exp RT1
20
20
Q =
=
=
exp
D2 t1 D0 exp d
30
RT2 RT1
30
RT2

Qd
Qd 1
1
2
= ln
= 5158.9 K
R T2 T1
3
R
Q
!
d
Qd
Qd
20
D3 t2 D0 exp RT3
=

=
=
exp
=2
D2 t3 D0 exp Qd
10
RT3 RT2
RT2
Qd
Qd /R
Qd
=
ln 2 T3 =
= 924 K
RT3 RT2
Qd /RT2 ln 2
CHEE 3300
Fall 2013
118 / 146
Diffusion
Example
An FCC iron-carbon alloy initially containing 0.20 wt% C is carburized
at an elevated temperature and in an atmosphere that gives a surface
carbon concentration constant at 1.0 wt%. If after 49.5h the
concentration of carbon is 0.35 wt% at a position 4.0 mm below the
surface, determine the temperature at which the treatment was carried
out.
! z= x
Cx (x, t) C0 0.35 0.20
x
2 Dt
= 1 erf
erf(z) = 0.8125
=
Cs C0
1.0 0.20
2 Dt
Table z = 0.90 : erf(z) = 0.7970, z = 0.95 : erf(z) = 0.8209, interpolation:
0.8125 0.7970
z 0.90
=
z = 0.93
0.95 0.90 0.8209 0.7970
(4 103 m)2
x
x2
1h
= 2.6 1011 m2/s
= 0.93 D = 2 =
2 (49.5 h) 3600 s
4z
t
(4)(0.93)
2 Dt
CHEE 3300
Fall 2013
119 / 146
Diffusion
Example
(cont.)
To solve for temperature we rearrange the following equation:

Qd 1
Qd
Qd
ln D = ln D0
T=
D = D0 exp
RT
R T
R(ln D0 ln D)
from Table 5.2, for diffusion of C in FCC Fe:
D0 = 2.3 105 m2/s, Qd = 148, 000 J/mol
T=
D=2.61011 m2/s
148, 000 J/mol
(8.314 J/molK)(ln 2.3 105 m2/s ln 2.6 1011 m2/s)

T = 1300 K = 1027 C
CHEE 3300
Fall 2013
120 / 146
Concepts of stress and strain

different ways to apply a load
COMPRESSION
TENSION l
TORSIONAL
SHEAR
CHEE 3300
Fall 2013
121 / 146
Tension Tests
American Society for Testing and

Materials (ASTM)
CHEE 3300
Fall 2013
122 / 146
Engineering stress
Shear stress
Tensile stress
lbf
N
Ft
=
or 2
A0 in2
m
=
A0 : original area before loading
Fs
A0
SI units: MPa, US units: psi

CHEE 3300
Fall 2013
123 / 146
Engineering strain
li l0 l
=
l0
l0
Shear strain
Lateral strain
x
L
=
= tan
L =
y
w0
=
Tensile strain
=
L0
Strain is always dimensionless

CHEE 3300
Fall 2013
124 / 146
Stress is usually a combination of shear and tensile. Consider the stress

on a plane inside a rod:
A0 = r20
F0 r0
= 0
cos =
F
r
Area of ellipse:
r0
A0 = r0 r0 = r0 (
)
cos
A0
=
cos
0 =
F0
F cos
= A
0
0
A
cos
0 = cos2 =
1 + cos 2
2
0 = sin cos =
CHEE 3300
sin 2
2
Fall 2013
125 / 146
Elastic deformation
Deformation
Elastic deformation (reversible)
Plastic deformation (non-reversible)
CHEE 3300
Fall 2013
126 / 146
Elastic deformation
Elastic deformation
Described by the modulus of elasticity, E (or Youngs modulus)
Hookes law:
= E E =
For shear stress and strain, the shear modulus, G, is defined as:
G=
Bulk modulus K: P = K V
V0
CHEE 3300
Fall 2013
127 / 146
Elastic deformation
For some materials the stress-strain curve is not linear
CHEE 3300
Fall 2013
128 / 146
Elastic deformation
Slope of stress-strain plot (which is proportional to the elastic

modulus) depends on bond strength of metal

E, G
dF
dr

r=r0
modulus: ionic > metallic van der Waals

CHEE 3300
Fall 2013
129 / 146
Elastic deformation
Anelasticity for metals

small. For polymers
significant
viscoelastic behavior
CHEE 3300
Fall 2013
130 / 146
Elastic deformation
Example
A 500 lb pendulum is to be hung from the ceiling in the large foyer of a
Science and Technology museum. The plan is to hang it, using a 100 ft. long,
1/8 inch diameter, steel rod. How much will the rod expand (in inches) when
the pendulum is attached to it? The modulus of elasticity (aka Youngs
modulus) for steel is 3 107 psi.
=
F
=
A0
40744 psi
500 lbs
= 40744 psi = =
= 0.001358
2
E 3 107 psi
1
16
in2
` = `0 = 100 ft 12 in/ft = 1.63 inches
r=
1
16
2.54
= 1.5875 103 m
100
mg 500 0.45359 kg 9.8 m2/s
F
=
=
=
= 2.807 108 N/m2 = 0.2807 GPa
A0
A0
(1.5875 103 m)2
0.2807 GPa
= =
= 1.356 103 ` = `0 = 1.356 103 100 12 = 1.63
E
207 GPa
CHEE 3300
Fall 2013
131 / 146
Elastic deformation
Poissons ratio
=
y
x
=
z
z
metals 0.33
ceramics 0.25
polymers 0.40
> 0.5 density increases
< 0.5 density decreases
(voids form)
For isotropic materials:
E = 2G(1 + )
E = 3K(1 2)
CHEE 3300
Fall 2013
132 / 146
Elastic deformation
Example
A tensile stress is to be applied along the axis of a cylindrical brass rod that
has a diameter of 10 mm (0.4in). Determine the magnitude of the load
required to produce a 2.5 103 mm (104 in.) change in diameter if the
deformation is entirely elastic ( = 0.34, E = 97 103 MPa for brass)
d 2.5 103 mm
= 2.5 104
=
d0
10 mm
2.5 104
x
z = =
= 7.35 104
0.34
= z E = (7.35 104 )(97 103 MPa = 71.3 MPa
2
d0
=
F = A0 =
2
!2
10 103 m
6N 2
(71.3 10 /m )
= 5600 N
2
x =
CHEE 3300
Fall 2013
133 / 146
Plastic deformation
Plastic deformation
Simple tension experiment:
Different from non-linear elastic deformation, which is reversible

CHEE 3300
Fall 2013
134 / 146
Plastic deformation
Plastic deformation
permanent
deformation
proportional limit,
yielding
yield strength (stress
at which noticeable
plastic deformation
has occurred - 0.002)
yield point
phenomenon
CHEE 3300
Fall 2013
135 / 146
Plastic deformation
Yield Strength, comparison
CHEE 3300
Fall 2013
136 / 146
Plastic deformation
Tensile Strength
The tensile strength (TS) is the stress at the maximum on the
engineering stress-strain curve
CHEE 3300
Fall 2013
137 / 146
Plastic deformation
Tensile Strength, comparison
CHEE 3300
Fall 2013
138 / 146
Plastic deformation
Example
Mechanical properties from stress-strain plot (Ex. 6.3)
1
E = slope = 22
1 = 0.00160 =
93.8 GPa
yield strength at strain offset of
0.002 250 MPa
maximum load F of cylindrical
specimen with d0 = 12.8 mm
2
F = A0 = (450 MPa) d20 =
57, 900 N
(1500) MPa
change in length of 250mm

specimen under = 345 MPa
l = l0 = (0.06)(250 mm) =
15 mm
CHEE 3300
Fall 2013
139 / 146
Plastic deformation
Ductility
Measure of degree of plastic deformation
Percent elongation (l0
commonly 50mm):
!
lf l0
%EL =
100
l0
Percent reduction in
area:
!
A0 Af
%RA =
100
A0
Brittle materials are approximately considered to be those having a
fracture strain of less than about 5%.
indicates degree of plastic deformation before fracture
specifies allowable deformation during fabrication
CHEE 3300
Fall 2013
140 / 146
Plastic deformation
Resilience
Ability of a material to store energy (best in elastic region)
Modulus of resilience
Z y
Ur =
d
0
Linear:
!
2y
1
1 y
Ur y y =
=
2
2 y
2E
Units: F/A=g cm s2 /cm2 =
g cm2 s2 /cm3 (energy/volume)
Resilient materials are those having high yield strenghts and low
moduli of elasticity
Toughness: measure of ability to absorb energy up to fracture
CHEE 3300
Fall 2013
141 / 146
Plastic deformation
True stress and strain

T =
F
Ai
T = ln
li
l0
Consider stress applied in

discrete increases, such that
the length starts at l0 and
then increases slightly to l1 ,
and then to l2 , etc.:
T =
l1 l0
l0
l2 l1
l1
l2 l1
l1
+ ... =
Pi
j=1
lj lj1 li li1 0
lj1
T =
R l0
l0
dl
l
= ln
l
i
l0
If no volume change (Ai li = A0 l0 ), T = (1 + ) T = ln(1 + )

For some metals and alloys, from plastic deformation to necking
T = KnT (strain hardening exponent n, 0.15 steels, 0.5 copper)
CHEE 3300
Fall 2013
142 / 146
Plastic deformation
Example
Cylindrical specimen of steel with original diameter d0 = 12.8 mm,
engineering fracture strength f = 460 MPa. If cross sectional diameter
at fracture is 10.7 mm:
Ductility in terms of percent reduction in area

%RA =

12.8 mm 2

10.7 mm 2
2

2
12.8 mm
100 = 30%
True stress at fracture
T =
f A0
F
=
= 660 MPa
Af
Af
CHEE 3300
Fall 2013
143 / 146
Plastic deformation
Hardness
Measure of materials resistance to localized plastic deformation. Push
a very hard ball or pyramid into the material and measure its
indentation. The smaller the indentation, the harder the material.
CHEE 3300
Fall 2013
144 / 146
Plastic deformation
Hardness measurements
CHEE 3300
Fall 2013
145 / 146
Plastic deformation
Rule of thumb:
TS(MPa)=3.45HB
TS(psi)=500HB
CHEE 3300
Fall 2013
146 / 146

Part 1

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

Part 1

Uploaded by

Copyright:

Available Formats

Materials Science and Engineering I

Manolis Doxastakis (University of Houston)

Atomic structure and interatomic bonding

The structure of crystalline solids

Mechanical properties of metals

Manolis Doxastakis (University of Houston)

Materials drive our society

handmade tools and objects found in nature - sharpened stone,

Bronze Age ( 3500 BC)

copper and bronze tools, potters wheel

Iron Age ( 1000 BC)

Now? (Silicon Age?,Polymer Age?)

What is materials science and engineering?

Manolis Doxastakis (University of Houston)

Materials Science and Engineering

Manolis Doxastakis (University of Houston)

Basic classification of solid materials

large number of free electrons

Manolis Doxastakis (University of Houston)

Basic classification of solid materials

usually oxides, nitrides, carbides

Manolis Doxastakis (University of Houston)

Basic classification of solid materials

usually complex organic structures

Manolis Doxastakis (University of Houston)

Manolis Doxastakis (University of Houston)

Manolis Doxastakis (University of Houston)

Manolis Doxastakis (University of Houston)

Manolis Doxastakis (University of Houston)

Manolis Doxastakis (University of Houston)

slight electrical conductors (trace, intentional impurities, called

usually means biologically compatible materials (materials that can

material composed of small particles (1 to 100 nm size) that have

Manolis Doxastakis (University of Houston)

All solid materials are either:

single crystal - all the atoms in object are in a periodic, coherent

atoms have no long range order. Example: glass

composed of combinations of crystalline and/or amorphous,

Manolis Doxastakis (University of Houston)

The materials selection process

The materials selection process

Pick Application Determine required Properties

Manolis Doxastakis (University of Houston)

Atomic structure and interatomic bonding

Atomic structure - fundamental concepts

Atomic structure - fundamental concepts

Wave mechanical model:

Atomic structure and interatomic bonding

Manolis Doxastakis (University of Houston)

Atomic structure and interatomic bonding

(a) Bohr and (b) wave-mechanical model

Manolis Doxastakis (University of Houston)

Atomic structure and interatomic bonding

Electrons have wavelike and particulate properties.

Manolis Doxastakis (University of Houston)

Atomic structure and interatomic bonding

principal quantum number, n (or shell: K, L, M, . . .)

sub-shell quantum number, l (or s, p, d, . . . orbitals)

magnetic sub-levels (or sub-sub-shell) quantum number, ml

(ml = 0, 1, . . . , l. Therefore 2l + 1 mag. sub-levels per sub-shell)

electron spin quantum number, ms = +1/2 , -1/2, for each ml

Atomic structure and interatomic bonding

Electron quantum number notation: