Chapter 2 Atomic Structures and Interatomic Bonding

Electron Configurations and Periodic Table Basics

o Atomic weight corresponds to the weighted average of the atomic
masses of the atoms naturally occurring isotopes.
o Isotopes atoms of an element with two or more different atomic
masses.
o Bohr Atomic Model electrons are assumed to revolve around the
atomic nucleus in discrete orbitals, and in which the position of any
particular electron is more or less well defined in terms of its orbital.
o Quantized electrons are permitted to have only specific values of
energy. An electron may change energy but in doing so, must make a
quantum jump either to an allowed higher energy (with absorption of
energy) or to a lower energy ( with emission of energy).
o Wave-mechanical model the electron is considered to exhibit both
wave-like and particle-like charicteristics.
o Quantum number shells are specified by quantum number n
o Electron States values of energy that are permitted for electrons
o Pauli Exclusion Principle each electron state can hold no more
than two electrons that must have opposite spins.
o Ground state When electrons occupy the lowest possible energies
in accord with foregoing restrictions.
o Electron configuration represents the manner in which the energy
states are occupied.
o Valence electron those that occupy the outermost shell.
o Electropositive elements that are capable of giving up their few
valence electrons to become positively charged ions.
o Electronegative elements that readily accept electrons to form
negatively charged ions, or sometimes they share electrons with other
atoms.
Briefly compare and contrast ionic, covalent, metallic, and secondary bonds
o

F Net =F A + F R

F A + F R=0

E= F dr

o
o

(Attractive and Repulsive)

When they are equal in magnitude + opposite in sign

Bonding energy represents the energy require to separate two

atoms to an infinite separation.
Ionic Bonding (Ceramics) Atoms of a metallic element easily give
up their valence electrons to the nonmetallic atoms. In the process, all
the atom acquire stable or inert gas configurations (completely filled
orbital shells) and, in addition, an electrical charge (they become
ions).NaCl, LiF, MgO, CaF2.

o
o

o
o

Coulumbic Force positive and negative ions, by virtue of their net

electrical charge, attract one another. For two isolated ions, the
attractive energy EA is a function of the interatomic distance.

A
r

EA=

E AR=

B
n
r

A = constant
B = constant

Bonding Energies and Melting Temp The higher the bonding energy,
the higher the melting temperature.
Covalent Bonding(Polymers) Found in materials whose atoms
have small differences in electronegativity that is, that lie near one
another in the periodic table. Stable electron configurations are
assumed by the sharing of electrons between adjacent atoms. Two
covalently bonded atoms will each contribute at least one electron to
the bond, and the shared electrons may be considered to belong to
both atoms. Good electrical insulators and semi-conductors. CH 4, H2O,
HNO3, HF, elemental solids such as diamond, silicon,, and germanium.
Metallic Bonding Found in metals and their alloys. Valence
electrons are not bound to any particular atom in the solid and are
more or less free to drift throughout the entire metal. They may be
thought of as belonging to the metal as a whole or forming a sea of
electrons or an electron cloud. The remaining non-valence electron
and atomic nuclei form what are called ion cores, which possess a net
positive charge equal in magnitude to the total valence electron
charge per atom. Bonding may be weak or strong. Metallic bonding is
found in the periodic table for group IA and IIA elements and, in fact,
for all elemental metals. Metals are good conductors of both electricity
and heat as a consequence of their free electrons.
Van der Waals Bonding (Molecular Solids) Are weak in
comparison to primary or chemical bonds. Secondary bonding may
exist between virtually all atoms or molecules, but its presence may be
overshadowed if any of the three primary bonds are present.
Secondary bonds are possible between atoms or groups of atoms
which are already bonded otherwise.
Dipole (electric) A pair of equal and opposite electrical charges
separated by a small distance. For secondary bonds.
Hydrogen Bonding Is found to exist between some molecules that
have hydrogen as one of the constituents.
Fluctuating Induced Dipole Bonds A dipole may be created or
induced in an atom or molecule that is normally electrically
symmetric that is the overall spatial distribution of the
electrons is symmetric with respect to the positively charged
nucleus. All atoms experience constant vibrational motion that

o
o

can cause instantaneous and short- lived distortions of this

electrical symmetry for some of the atoms or molecules and the
creation of electric dipoles
Polar Molecule-Induced Dipole Bonds Permanent dipole
moments exist in some molecules by virtue of an asymmetrical
arrangement of positively and negatively charged regions; such
molecules are termed polar molecules. Polar molecules can
also induce dipoles in adjacent nonpolar molecules.
Permanent Dipole Bonds The strongest secondary
bonding type, the hydrogen bond is a special case of polar
molecule bonding. It occurs between molecules in which
hydrogen is covalently bonded to fluorine, oxygen, or
nitrogen. For each H-F, H-O, or H-N bond, the single
hydrogen electron is shared with the other atom. Thus,
they hydrogen end of the bond is essentially a positively
charged bare proton unscreened by any electrons. This
highly positively charged end of the molecule is capable
of a strong attractive force with the negative end of an
adjacent molecule.
Secondary Bond Phenomena adhesives, surfactants, emulsifiers,
desiccants.
Mixed Bonding Mixed metallic-ionic bonds are observed for
compounds composed of two metals when there is a significant
difference between their electronegativities. The predominant type of
bonding for semiconductor materials is covalent, with the possibility of
and ionic contribution (ceramic). Semi-metals = mixed covalentmetallic. Intermetallics = mixed metallic-ionic.

Chapter 3 The Structure of Crystalline Solids

Schematically diagram face-centered cubic, body-centered cubic and

hexagonal close-packed unit cells.
o Face-Centered Cubic Crystal Structures (copper, gold, silver,
aluminum) Atoms are located at all corner and face-centered
positions.

a( cube edge length)=2 R 2

N=N interior +

6 8
N=0+ + =4
2 8

Atomic Packing Factor=

N face N corner
+
2
8

volume of atomsa unit cell

total unit cell volume

For FCC, APF is 0.74, the max packing for all spheres having the
same diameter.
Given the atomic radius and atomic weight of an atom that forms into a
common cubic structure, compute its density.
Explain what is meant by coordination number and packing factor. Cite what
they are for FCC, BCC, and HCP unit cells.
Given a unit cell and three point coordinates, locate the point represented by
these indices with the unit cell.
Given a unit cell and three direction indices, draw the direction represented
by

Define the following terms: grain boundary, isotropy, anisotropy.

o Grain Boundary The boundary region separating two grains where
there is some atomic mismatch.
o Isotropy Substances in which measured properties are independent
of direction.
o Anisotropy The directionality dependence of properties. It is
associated with the variance of atomic or ionic spacing with
crystallographic direction.

Chapter 4 Imperfections in Solids

Describe both the vacancy and self-interstitial crystalline defects.

o Vacancy A normally occupied lattice site from which an atom or ion
is missing. All crystalline solids contain vacancies. The presence of
vacancies increases entropy.
o Self-Interstitial A host atom or ion positioned on an interstitial
lattice site.
Interstitial site a small void space that under ordinary
circumstances is not occupies.
Given the density and atomic weight of some material and Avogadros
number, compute the number of atomic sites per cubic meter.
o

NA
Aw

For some material, given the number of atomic sites per cubic meter, the
energy required for vacancy formation, and the value for the gas constant,
compute the number of vacancies at some specified temperature.
o

N=

N v =Nexp(

Qv
)
kT

Compare and contrast substitutional and interstitial solid solutions and

provide a schematic drawing of each.

Understand the Hume-Rothery rules for substitutional solid formation.

1. Atomic Size Factor. Appreciable quantities of a solute may be
accommodated in this type of solid solution only when the difference in
atomic radii between the two atom types is less than about

15 .

Otherwise, the solute atoms create substantial lattice distortions.

2. Crystal Structure. For appreciable solid solubility, the crystal
structures for metals of both types of atoms must be the same.
3. Electronegativity Factor. The more electropositive one element and
the more electronegative the other, the greater the likelihood that they
will form an intermetallic compound instead of a substitutional solid
solution.
4. Valences. Other factors being equal, a metal has more of a tendency
to dissolve another metal of higher valency than to dissolve one of a
lower valency.
Describe and make a drawing of an edge location.
Describe the atomic structure in the vicinity of a grain boundary and explain
the distinction between small-angle and large-angle grain boundaries.

Chapter 5 Diffusion

Briefly describe diffusion, self-diffusion, and interdiffusion.

o

Diffusion Mass transport by atomic motion.

Inter-Diffusion The process by which atoms of one metal diffuse into

another (changes occur over time).

Self-Diffusion Atomic migration in pure metals.

Compare and contrast the two atomic mechanisms of diffusion. Indicate which
occurs more rapidly and why.
o

Vacancy Diffusion the interchange of an atom from a normal lattice

position to an adjacent vacant lattice site or vacancy. Necessitates the
presence of vacancies, depends on number of vacancies present. Because
diffusing atoms and vacancies exchange positions, the diffusion of atoms

in one direction corresponds to the number of vacancies in the opposite

direction.
o

Interstitial Diffusion involves atoms that migrate from an interstitial

position to a neighboring one that is empty. The mechanism is found for
interdiffusion of impurities such as hydrogen, carbon, nitrogen, and
oxygen, which have atoms that are small enough.

In most metal alloys, interstitial diffusion occurs much more rapidly

than diffusion by the vacancy mode, because interstitial atoms are
smaller and thus more mobile. Furthermore, there are more empty
interstitial positions than vacancies; hence, the probability of
interstitial atomic movement is greater than for vacancy diffusion.

Given the mass of material diffusing through a cross-sectional area over a

specified time period, compute the diffusion flux.
o

Diffusion Flux (J) The quantity of mass diffusing through and

perpendicular to a unit cross-sectional area of material per unit time.

J=

M
At

For steady-state diffusion through a metal sheet, determine the diffusion flux for
given values for diffusion coefficient, sheet thickness, and concentrations of
diffusing species.

dC

J= D dx

dC
=concentration gradient
dx

dC C C A C B
=
=
dx x x A x B

For diffusion into a semi-infinite solid when the concentration of diffusing species
at the surface is held constant, compute the concentration at some position
after a specified time, given the pre-diffusion concentration in the solid, the
surface composition, and the diffusion coefficient of the diffusing species.
o

C
C
2 C
= D
=D
t x
x
x2

x
2 ( DT )
)
C x C0
=1erf
C sC 0

For t > 0, C= C s (the constant surface concentration) at x=0

For t > 0, C=C0 at x=infinity

Compute the value of the diffusion coefficient, given the pre-exponential, D 0, the
activation energy, the absolute temperature, and the gas constant.
o

D=D o e

QD
RT

Chapter 6 Mechanical Properties of Metals

Distinguish between elastic and plastic deformations, both by definition and in terms of behavior on a
stress-strain plot.
o Stress The instantaneous load applied to a specimen is divided by its cross-sectional area before
any deformation.
o

Strain The change in gauge length of a specimen (in the direction of an applied stress) divided
by its original length.

F
A

l il 0 l
=
l0
l0

Shear Stress The instantaneous applied shear load divided by the original cross-sectional area
across which it is applied.

F
=G
A ,
=E

Modulus of Elasticity constant of proportionality

Elastic Deformation deformation that is non-permanent that is totally recovered upon release
of a mechanical stress.
For non-linear behavior, the tangent or secant modulus is used.

E (

dF
)
dr r

The modulus is proportional to the slope of the interatomic force0

separation curve.
Plastic Deformation Deformation that is permanent or non-recoverable after the release of the
applied load. It is accompanied by permanent atomic displacements.
Understand Poissons ratio and the concept of engineering stress/strain vs. true stress/strain.
o

Poissons Ratio ( ) The ratio of the lateral and axial strains.

x y
= z
z

For isotropic materials, the relationship among elastic parameters

True Stress (

T ) The instantaneous applied load divided by the instantaneous cross-

sectional area of the specimen.

o

True Strain (

T = (1+ )

T ) The natural logarithm of the ratio of instantaneous gauge length of a

specimen being deformed by a uniaxial force.

E=2G(1+ )

T =ln ( 1+ )

Relationship between true stress and strain at the point of necking.

T =K nT

From a tensile stress-strain plot, determine elastic modulus; yield strength, tensile strength, percent
elongation, modulus of resilience, and toughness.
o Proportional Limit The point on a stress-strain curve at which the straight-line proportionality
between stress and strain ceases.
o
o
o

Yield Strength (

Y ) The stress required to produce a very slight yet specified amount of

plastic strain; a strain offset of 0.002 is commonly used.

Tensile Strength (TS) The maximum engineering stress, in tension, that may be sustained
without fracture.
Modulus of Resilience (UR) - the maximum elastic energy absorbed by a material when load is applied. The modulus
of resilience Ur is the area contained under the elastic portion of the stress-strain curve. It is the elastic energy that a material
absorbs during loading and subsequently releases when the load is removed.

y
2y
1
1
U R = y y= y
=
2
2
E
2E

( )

Toughness A mechanical characteristic that may be expressed in three contexts: (1) the measure
of a materials resistance to fracture when a crack is present; (2) the ability of a material to absorb
energy and plastically deform before fracturing; and (3) the total area under the materials tensile
engineering stress-strain curve.

o
Cite three reasons why hardness tests are performed more frequently than any other mechanical test on
metals.
1. They are simple and inexpensive-typically, no special specimen need be prepared, and the
testing apparatus is relatively inexpensive.
2. The test is nondestructive the specimen is neither fractured nor excessively deformed; a
small indentation is the only deformation.
3. Other mechanical properties often may be estimated form hardness data, such as tensile
strength.

Chapter 18 Electrical Properties

Given the electrical resistance, as well as length and cross-sectional area of a specimen, compute its
resistivity and conductivity.
o

Electrical Resistivity

Electrical Conductivity

Ohms Law

Electric Field Intensity -

RA
VA
=
l ,
Il

J = E , J= current density

E=

V
l

Describe the four possible electron band structures for solid materials.
o Four different types of band structures are possible at 0 K. In the first (Figure 12.4a), one outermost band is only partially filled

with electrons. The energy corre- sponding to the highest filled state at 0 K is called the Fermi energy Ef , as indicated. This
energy band structure is typified by some metals, in particular those that have a single s valence electron (e.g., copper). Each
copper atom has one 4s electron; however, for a solid comprised of N atoms, the 4s band is capable of accommodating 2N
electrons. Thus only half the available electron positions within this 4s band are filled.
For the second band structure, also found in metals (Figure 12.4b), there is an overlap of an empty band and a filled band.
Magnesium has this band structure. Each isolated Mg atom has two 3s electrons. However, when a solid is formed, the 3s and 3p
bands overlap. In this instance and at 0 K, the Fermi energy is taken as that energy below which, for N atoms, N states are filled,
two electrons per state.
The final two band structures are similar; one band (the valence band) that is completely filled with electrons is separated from
an empty conduction band; and an energy band gap lies between them. For very pure materials, electrons may not have
energies within this gap. The difference between the two band structures lies in the magnitude of the energy gap; for materials
that are insulators, the band gap is relatively wide whereas for semiconductors it is narrow.

o
Calculate the mobility of an electron, given its drift velocity and the magnitude of the electric field.
o Mobility The proportionality constant between the carrier drift velocity and applied electric
field; also the measure of the ease of charge carrier motion.

Drift Velocity (

v d ) - v d =e , e = electron mobility and is an indication of

the frequency of scattering events.

=n|e| e

Distinguish between intrinsic and extrinsic semiconducting materials.

o Intrinsic Semiconductors are those in which the electrical behavior is based on the electronic
structure inherent in the pure materiel.
o Extrinsic Semiconductors semiconducting material for which electrical behavior is determined
by impurities.
Compute the electrical conductivity of an intrinsic semiconductor given the electron and hole mobilities,
the electronic charge, and the intrinsic carrier concentration.
o

Intrinsic Conductivity

=nn|e| e =np|e| h , p=holes per cubic meter,

h=holemobility

n=p=ni

( e+ h)
o Intrinsic Carrier Concentration ( h+ e )=ni|e|
( e+ h)+ p|e|
n|e|
Chapter 19 Thermal Properties

Determine the linear coefficient of thermal expansion given the length alteration that accompanies a
specified temperature change.
o Linear Coefficient of Thermal Expansion

l f l 0
= l ( T f T 0 )
l0

l
= l T
l0

V
= V T
V0

Define heat capacity and specific heat.

o Heat Capacity ratio of energy change (energy gained or lost) and then the resulting temperature
change.
o

C=

dQ
J /mol K , cal/mol K
dT ,

Specific Heat the heat capacity per unit mass

J /kg K , cal/ g K

Btu /lb m F

Note the primary means by which thermal energy is assimilated by solid materials.
Define phonon.
o Phonon A quantum unit of electromagnetic energy
Make a qualitative comparison of the coefficients of thermal expansion for metals, ceramics, and
polymers.
o Values of coefficients of thermal expansion for polymers are typically greater than those for
metals, which in turn are greater than those for ceramic materials.
Define thermal conductivity.
o Thermal Conductivity (k) For steady-state heat flow, the proportionality constant between the
heat flux and the temperature gradient. Also, a parameter characterizing the ability of a material to
conduct heat.
For an isotropic solid material with its ends restrained by rigid supports, calculate the thermal stress that
results from a specified temperature change, given values of the elastic modulus and coefficient of thermal
expansion.
o

=E l ( T 0T f ) =E l T