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2019 08 21 Lecture
Chapter 1
1.1 Atomic Structure and Atomic Number
1.2 Atomic Mass and Mole
1.3 Bonding and Types of Solids
1.4 - 1.4.2 Thermal Expansion
1.8 Review of Crystal Systems and Lattice
For example, oxygen occurs in nature as a mixture of isotopes16O,17O and 18O having atomic
masses of 15.995 u, 16.999 u and 17.999 u respectively. The relative abundance of the three
isotopes is 99.763%,0.037% and 0.2%.
Thus the atomic mass of oxygen is expressed as the weighed average of the atomic masses of
these three isotopes.
Figure 2.8 The periodic table of the elements. The numbers in parentheses are the atomic
weights of the most stable or common isotopes.
Fig 1.1 The shell model of the atom in which electrons are confined to live
within certain shells and in subshells within shells
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Simplified Bohr Atomic Model
One early outgrowth of quantum mechanics
was the simplified Bohr atomic model,
1) electrons to revolve around the atomic
nucleus in discrete orbitals,
2) the energies of electrons are quantized.
An electron may change energy, but in doing
so, it must make a quantum jump either
to an allowed higher energy (with
absorption of energy) or to a lower
energy (with emission of energy).
Figure 2.2
(a) The first three
electron energy states for
the Bohr hydrogen atom.
(b) Electron energy states
for the first three shells of
the wave-mechanical
hydrogen atom.
Quantum # Designation
n = principal (energy level-shell) K, L, M, N, O (1, 2, 3, etc.)
l = subsidiary or secondary
(orbital angular momentum) s, p, d, f (0, 1, 2, 3,…, n-1)
ml = magnetic 1, 3, 5, 7 (-l to +l)
ms = spin ½, -½
Four Quantum Numbers (Definition)
• Principal quantum number, n, specifies electron shell
• Second quantum number, l, specifies the subshell
• Third quantum number, ml, specifies the specific orbital within the subshell
• Fourth quantum number, ms, specifies electron spin moment
Table 2.2
Expected Electron
Configurations for
Some Common
Elements
Fig 1.3 (a) Force vs. interatomic separation, (b) Energy vs. interatomic separation
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General Bonding
Illustration
▪ General principle of molecule
formation
hybridization
Fig 1. 8 The formation of ionic bond between Na and Cl atoms in NaCl. The
attraction is due to coulombic forces.
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The Periodic Table
▪ The cation Na+ looks like inert element Ne, but with a positive charge.
▪ The anion 𝐶𝑙 − looks like inert element Ar, but with a negative charge.
(a) (b)
Fig 1.9 (a) A schematic illustration of a cross section from solid NaCl. NaCl is made of Cl-
and Na+ ions arranged alternatingly so that the oppositely charged ions are closest to each other
and attract each other. There are also repulsive forces between the like ions. In equilibrium the
net force acting on any ion is zero. (b) Solid NaCl.
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A Unit Cell of NaCl
▪ A FCC unit cell ▪ A unit cell of NaCl (rock salt,
sodium chloride)
Fig 1.10 Sketch of the potential energy per ion-pair in solid NaCl. Zero energy
corresponds to neutral Na and Cl atoms infinitely separated.
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Secondary Bonding
Fig 1.11 (a) A permanently polarized molecule is called an electric dipole moment.
(b) Dipoles can attract or repel each other depending on their relative orientations.
(c) Suitably oriented dipoles can attract each other to form van der Walls bonds.
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Secondary Bonding - Example
▪ Although each H2O is neutral overall, the molecules attract each other to form
liquid below 100°C and solid below 0C.
▪ The van der Waals-London force : a net eletcrostatic attraction between the
election distribution of one atom and the positive nucleus of the other.
Fig 1.14 (a) Applied forces F stretch the solid elastically from L0 to δL. The force is divided
amongst chains of atoms that make the solid. Each chain carries a force δFN. (b) In
quilibrium, the applied force is balanced by the net force δFN between the atoms as a
result of their ncreased separation.
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Elastic Modulus (II)
▪ Modulus is proportional to the slope of the interatomic force–separation curve at the
𝑑𝐹
equilibrium spacing: 𝐸 ∝
𝑑𝑟 𝑟0
Figure 6.7 Force versus interatomic separation for weakly and strongly bonded atoms. The
magnitude of the modulus of elasticity is proportional to the slope of each curve at the
equilibrium interatomic separation 𝑟0 .
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Bond Energy vs. Modulus
▪ The bonding energy is the minimum of E versus r at 𝑟0 . Solids with higher bond
energies tend to have higher elastic moduli among the same type of bonds
Fig. 1.18 The potential energy PE curve has a minimum when the atoms in the solid attain the
interatomic separation r = ro. Due to thermal energy, the atoms will be vibrating and will have
vibrational kinetic energy. At T = T1, the atoms will be vibrating in such a way that the bond will be
stretched and compressed by an amount corresponding to the KE of the atoms. A pair of atoms will
be vibrating between B and C. This average separation will be at A and greater than ro.
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Vibrations of atoms about their equilibrium positions
▪ Atoms executing simple harmonic motion and maintaining E = U + KE= constant
Fig. 1.19 Vibrations of atoms in the solid. We consider, for simplicity a pair of atom. Total
energy E = PE + KE and this is constant for a pair of vibrating atoms executing simple
harmonic Motion. At B and C KE is zero (atoms are stationary and about to reverse direction
of oscillation) and PE is maximum.
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Thermal Expansion (III)
▪ Thermal coefficient of linear expansion, or simply, thermal expansion coefficient λ is
defined as,
1 𝛿𝐿
𝜆= ×
𝐿0 𝛿𝑇
= thermal coefficient of linear expansion or thermal expansion coefficient, Lo =
original length, L = length at temperature T
Thermal Expansion
L = Lo [1+ (T − To )]
L = length at temperature T, Lo = length at temperature To
X10-6
▪ Polymers, with weak, secondary, intermolecular bonds (low melting points) have
very high expansion coefficients.
▪ Ceramics which are strongly bonded (i.e., ionic or network covalent) have low
thermal expansion coefficients.
▪ Metals with high melting points (strong bonding) have low thermal expansion
coefficients. Low melting point metals have high thermal expansion coefficients.
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Six Lattice Paramters
Fig 1.32 Example: Alkali metals (Li, Na, K, Rb), Cr, Mo, W, Mn, α-Fe (< 912
˚C), β-Ti (> 882 ˚C) Body centered cubic crystal (BCC) crystal structure.
(a) A BCC unit cell with closely packed hard spheres representing the Fe atoms.
(b) A reduced-sphere unit cell.