PENGENALAN BAHAN II

IKHTISAR IKATAN KIMIA

STRUKTUR ATOM
orbital electrons:
n = principal
quantum number
1
n=3 2

Nucleus: Z = # protons

-Atom terdiri dari inti atom

yang merupakan pusat
massa dan muatan +
lintasan lintasan tertentu.
- Elektron hanya dapat
berada pada lintasannya
dan dapat pindah dari
lintasan lain.
- makin jauh dari inti makin
tinggi tingkat energinya

= 1 for hydrogen to 94 for plutonium

N = # neutronsAtomic weight
Atomic mass A Z + N Isotope
Atomic mass unit
(amu) = 1 g/mole

Fungsi Elektron:
1. Menentukan sifat-sifat kimia
2. Menentukan ikatan antar atom
(karakteristik mekanik dan kekuatan)
3. Mengedalikan ukuran atom dan
mempengaruhi konduktivitas listrik bahan
4. Mempengaruhi karakteristik optik

ELECTRON ENERGY STATES

Increasing energy

have discrete energy states

tend to occupy lowest available
energy state

4p

n=4

4s

n=3
n=2
n=1

3s
2s
1s

3p
2p

3d

Teori Atom Modern

- Elektron dalam atom bergerak mengelilingi inti
pada tingkat energi atau kulit elektron dengan
jumlah tertentu.
- Suatu kulit terdiri atas satu atau lebih sub kulit
dan dari sub kulit terdiri atas satu atau lebih
orbital
- Jadi, elektron dalam suatu atom terletak pada
lintasan-lintasan tertetnu yang tiap lintasan
mempunyai tingkat energi tertentu. Dalam
lintasan hanya diisi oleh dua elektron yang
mempunyai gerakan berbeda.

Untuk memudahkan dalam menganalisa

gerakan elektron maka dilakukan
kuantifikasi/memilah-milah berdasarkan
tingkat energinya.
Bilangan kuantum ada 4 yaitu:
1. Bilangan kuantum yang utama (n)
menyatakan tingkat energi lintasan
elektron dan dinyatakan dengan 1,2,3,4
atau K,L,M,N

2.Bil. Kuantum Azimut (l)

Dihubungkan dengan orbital anguler dari
lintasan elektron.
Bil. a/ 0 (n-1)
3. bil. Kuantum Magnetik (m)
Dihubungkan dengan momentum
magnetik dari gerakan elektron.
Bil. ; m dikaitkan dengan bil. l (0 l)
l=0 m=0

4. Bil. Kuantum spin (s) dihubungkan

dnegan gerakan elektronnya sendiri.
(s) 1/2
Contoh :
H memp. Elektron 1
n=1
l=0
m=0
s = +1/2, -1/2

Jika 0 s
1p
2d
3f
Jadi , H = 1s1

Quantum Numbers for Electrons

Principal quantum number n: distance of an electron from the
nucleus
Second quantum number l: shape of the electron subshell
Third quantum number ml: number of energy states for each
subshell
Forth quantum number ms: spin moment of an electron

STABLE ELECTRON CONFIGURATIONS

Stable electron configurations...
have complete s and p subshells
tend to be unreactive.
Z Element Configuration
Adapted from Table 2.2,
Callister 6e.
2
He
1s2
10
Ne
1s22s22p6
18
Ar
1s22s22p63s23p6
36
Kr
1s22s22p63s23p63d104s24p6

SURVEY OF ELEMENTS
Most elements: Electron configuration not stable.
Element
Atomic #
Hydrogen
1
Helium
2
Lithium
3
Beryllium
4
Boron
5
Carbon
6
...
Neon
10
Sodium
11
Magnesium
12
Aluminum
13
...
Argon
18
...
...
Krypton
36

Electron configuration
1s1
1s2
(stable)
1s22s1
1s22s2
1s22s22p1
Adapted from Table 2.2,
Callister 6e.
1s22s22p2
...
1s22s22p6
(stable)
1s22s22p63s1
1s22s22p63s2
1s22s22p63s23p1
...
1s22s22p63s23p6
(stable)
...
1s22s22p63s23p63d104s246 (stable)

g iv e u p 1 e
g iv e u p 2 e
g iv e u p 3 e

Columns: Similar Valence Structure

Li Be

Metal
Nonmetal
Intermediate

accept 2e
accept 1e
in e rt g a s e s

THE PERIODIC TABLE

He

Ne

Na Mg

Cl Ar

K Ca Sc

Se Br Kr

Rb Sr

Te

Cs Ba

Adapted
from Fig.
2.6, Callister
6e.

Xe

Po At Rn

Fr Ra

Electropositive elements:
Readily give up electrons
to become + ions.

Electronegative elements:
Readily acquire electrons
to become - ions.
6

METALS

CERAMICS

POLYMERS

SEMICONDUCTOR

ELECTRONEGATIVITY
Ranges from 0.7 to 4.0,

Large values: tendency to acquire electrons.

H
2.1
Li
1.0
Na
0.9

Be
1.5
Mg
1.2

K
0.8
Rb
0.8

Ca
1.0

Cs
0.7
Fr
0.7

Ba
0.9
Ra
0.9

Cl
3.0
Br
2.8

He
Ne
Ar
Kr
-

I
2.5
At
2.2

Xe
Rn
-

F
4.0

Ti
1.5

Cr
1.6

Fe
1.8

Sr
1.0

Smaller electronegativity

Ni
1.8

Zn
1.8

As
2.0

Larger electronegativity

Adapted from Fig. 2.7, Callister 6e. (Fig. 2.7 is adapted from Linus Pauling, The Nature of the
Chemical Bond, 3rd edition, Copyright 1939 and 1940, 3rd edition. Copyright 1960 by Cornell
University.
7

Ko =1/4o = 9 X 109
V.m/C

IONIC BONDING

Occurs between + and - ions.

Requires electron transfer.
Large difference in electronegativity required.
Example: NaCl
Na (metal)
unstable

Cl (nonmetal)
unstable
electron

Na (cation)
stable

Coulombic
Attraction

Cl (anion)
stable

EXAMPLES: IONIC BONDING

Predominant bonding in Ceramics

H
2.1
Li
1.0
Na
0.9
K
0.8
Rb
0.8
Cs
0.7
Fr
0.7

NaCl
MgO
CaF 2
CsCl

Be
1.5

O
F
3.5 4.0
Cl
3.0

Mg
1.2
Ca
1.0
Sr
1.0

Ti
1.5

Cr
1.6

Ba
0.9

Fe
1.8

Ni
1.8

Zn
1.8

As
2.0

Br
2.8
I
2.5
At
2.2

He
Ne
Ar
Kr
Xe
Rn
-

Ra
0.9

Give up electrons

Acquire electrons

Adapted from Fig. 2.7, Callister 6e. (Fig. 2.7 is adapted from Linus Pauling, The Nature of the
Chemical Bond, 3rd edition, Copyright 1939 and 1940, 3rd edition. Copyright 1960 by Cornell
University.
9

COVALENT BONDING
Requires shared electrons
Example: CH4
C: has 4 valence e,
needs 4 more

CH 4

H: has 1 valence e,
needs 1 more

Electronegativities
are comparable.

shared electrons
from carbon atom
H
shared electrons
from hydrogen
atoms

Adapted from Fig. 2.10, Callister 6e.

10

EXAMPLES: COVALENT BONDING

H2
H
2.1
Li
1.0
Na
0.9
K
0.8

Be
1.5
Mg
1.2
Ca
1.0

Rb
0.8
Cs
0.7

Sr
1.0
Ba
0.9

Fr
0.7

Ra
0.9

c o lu m n IV A

H2O
C(diamond)
SiC
Ti
1.5

Cr
1.6

Fe
1.8

Ni
1.8

Zn
1.8

Ga
1.6

C
2.5
Si
1.8
Ge As
1.8 2.0
Sn
1.8
Pb
1.8

F2
He
O
2.0

F
4.0
Cl
3.0
Br
2.8
I
2.5
At
2.2

Ne
-

Cl2

Ar
Kr
Xe
Rn
-

GaAs

Adapted from Fig. 2.7, Callister 6e. (Fig. 2.7 is

adapted from Linus Pauling, The Nature of the Chemical Bond, 3rd edition,
Copyright 1939 and 1940, 3rd edition. Copyright 1960 by Cornell University.

Molecules with nonmetals

Molecules with metals and nonmetals
Elemental solids
Compound solids (about column IVA)

11

METALLIC BONDING

Arises from a sea of donated valence electrons

(1, 2, or 3 from each atom).

Adapted from Fig. 2.11, Callister 6e.

Primary bond for metals and their alloys

12

SECONDARY
BONDING
Arises from interaction between dipoles
Fluctuating dipoles

ex: liquid H2
H2
H2

asymmetric electron
clouds

- secondary +
bonding

H H

H H

secondary
Adapted from Fig. 2.13, Callister 6e. bonding

Permanent dipoles-molecule induced

-general case:

+ -

secondary
bonding

-ex: liquid HCl

H Cl

secondary
bonding

+ H Cl

Adapted from Fig. 2.14,

Callister 6e.

Adapted from Fig. 2.14,

Callister 6e.

-ex: polymer
13

PROPERTIES FROM BONDING: TM

Bond length, r
F

Melting Temperature, Tm
Energy (r)

r
ro

Bond energy, Eo

Energy (r)
unstretched length
ro

smaller Tm
r

E o=
bond energy

larger T m
Tm is larger if Eo is larger.

15

PROPERTIES FROM BONDING: E

Elastic modulus, Ecross

sectional
area A o

length, L o

undeformed

deformed

Elastic modulus
F
L
=E
Ao
Lo

E ~ curvature at ro
Energy
unstretched length
ro

E is larger if Eo is larger.

smaller Elastic Modulus

larger Elastic Modulus

16

PROPERTIES FROM BONDING:

Coefficient of thermal expansion,
coeff. thermal expansion

length, L o

unheated, T1

L
=(T2-T1)
Lo

heated, T2

~ symmetry at ro
Energy
ro

is larger if Eo is smaller.

larger
smaller
17

SUMMARY: PRIMARY BONDS

Ceramics

Large bond energy

(Ionic & covalent bonding):

Metals
(Metallic bonding):

Polymers

large Tm
large E
small

Variable bond energy

moderate Tm
moderate E
moderate

Directional Properties

(Covalent & Secondary): Secondary bonding dominates

small T
small E
large

18

PERTEMUAN KE - 3
SUSUNAN ATOM DALAM
BAHAN PADAT

ENERGY AND PACKING

Tidak padat , random packing Energy
typical neighbor
bond length
typical neighbor
bond energy

Dense, regular packing

Energy
typical neighbor
bond length

typical neighbor
bond energy

Dense, regular-packed structures tend to have

lower energy.
2

14 kisi kristal

SIMPLE CUBIC STRUCTURE (SC)

Rare due to poor packing (only Po has this structure)
Close-packed directions are cube edges.
Coordination # = 6
(# nearest neighbors)

(Courtesy P.M. Anderson)

STRUCTURE OF COMPOUNDS: NaCl

Compounds: Often have similar close-packed structures.
Structure of NaCl
Close-packed directions
--along cube edges.

(Courtesy P.M. Anderson)

(Courtesy P.M. Anderson)

13

ATOMIC PACKING FACTOR

Volume of atoms in unit cell*
APF =
Volume of unit cell
*assume hard spheres
APF for a simple cubic structure = 0.52
atoms
unit cell

a
R=0.5a
close-packed directions
contains 8 x 1/8 =
1 atom/unit cell
Adapted from Fig. 3.19,
Callister 6e.

APF =

volume
atom
4
(0.5a)3
1
3
a3

volume
unit cell
6

METALLIC CRYSTALS
tend to be densely packed.
have several reasons for dense packing:
-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.

have the simplest crystal structures.

We will look at three such structures...

BODY CENTERED CUBIC STRUCTURE

(BCC)

Close packed directions are cube

diagonals.

--Note: All atoms are identical; the center atom is shaded

differently only for ease of viewing.

Coordination # = 8

Adapted from Fig. 3.2,

Callister 6e.
(Courtesy P.M. Anderson)

ATOMIC PACKING FACTOR: BCC

APF for a body-centered cubic structure = 0.68
Close-packed directions:
length = 4R
= 3a

R
Adapted from
Fig. 3.2,
Callister 6e.

Unit cell contains:

1 + 8 x 1/8
=2 atoms/unit cell
a

atoms
volume
4
( 3a/4)3
2
unit cell
atom
3
APF =
volume
a3
unit cell

Logam yang termasuk BCC:

Cr
Fe
Mo
K
Na
Ta
Wo
V

APF = 0,68 artinya, sulit dibentuk krn memiliki sedikit

bidang geser dan sifatnya keras

FACE CENTERED CUBIC STRUCTURE

(FCC)

Close packed directions are face diagonals.

--Note: All atoms are identical; the face-centered atoms are shaded
differently only for ease of viewing.

Coordination # = 12

Adapted from Fig. 3.1(a),

Callister 6e.
(Courtesy P.M. Anderson)

ATOMIC PACKING FACTOR: FCC

APF for a body-centered cubic structure = 0.74
Close-packed directions:
length = 4R
= 2a

Adapted from
Fig. 3.1(a),
Callister 6e.

Unit cell contains:

6 x 1/2 + 8 x 1/8
=4 atoms/unit cell
atoms
volume
4
3
( 2a/4)
4
unit cell
atom
3
APF =
volume
3
a
unit cell
10

Atom yang mempunyai struktur

FCC

AL
Cu
Au
Pb
Ni
Pt
Ag

APF = 0,74 artinya, mudah dibentuk karena lebih rapat dan

memiliki banyak bidang geser, sifatnya lunak dan ulet

HEXAGONAL CLOSE-PACKED
STRUCTURE (HCP)
ABAB... Stacking Sequence
3D Projection

2D Projection

A sites

Top layer

B sites

Middle layer

A sites

Bottom layer

Adapted from Fig. 3.3,

Callister 6e.

Coordination # = 12
APF = 0.74
12

Atom yang termasuk HCP:

Cad
Zn
Mg
Co
Zr
Ti
Be

FCC STACKING SEQUENCE

ABCABC... Stacking Sequence
2D Projection
A
B
B
C
A
B
B
B
A sites
C
C
B sites
B
B
C sites
FCC Unit Cell

A
B
C

11

THEORETICAL DENSITY,

#atoms/unit cell

nA
Volume/unit cell Vc NA
(cm3/unit cell)

Atomic weight (g/mol)

Avogadro's number
(6.023x 1023 atoms/mol)

Example: Copper

Data from Table inside front cover of Callister (see next slide):
crystal structure = FCC: 4 atoms/unit cell
atomic weight = 63.55 g/mol (1 amu = 1 g/mol)
-7 10 cm)
atomic radius R = 0.128 nm (1 nm =
-23cm3
Vc = a3 ; For FCC, a = 4R/ 2 ;Vc = 4.75 x 10

3
Result: theoretical Cu = 8.89 g/cm
3
Compare to actual: Cu = 8.94 g/cm
14

Characteristics of Selected Elements at 20C

At. Weight
Element
Symbol (amu)
Aluminum Al
26.98
Argon
Ar
39.95
Barium
Ba
137.33
Beryllium
Be
9.012
Boron
B
10.81
Bromine
Br
79.90
Cadmium
Cd
112.41
Calcium
Ca
40.08
Carbon
C
12.011
Cesium
Cs
132.91
Chlorine
Cl
35.45
Chromium Cr
52.00
Cobalt
Co
58.93
Copper
Cu
63.55
Flourine
F
19.00
Gallium
Ga
69.72
Germanium Ge
72.59
Gold
Au
196.97
Helium
He
4.003
Hydrogen H
1.008

Density
(g/cm3)
2.71
-----3.5
1.85
2.34
-----8.65
1.55
2.25
1.87
-----7.19
8.9
8.94
-----5.90
5.32
19.32
-----------

Crystal
Structure
FCC
-----BCC
HCP
Rhomb
-----HCP
FCC
Hex
BCC
-----BCC
HCP
FCC
-----Ortho.
Dia. cubic
FCC
-----------

Atomic radius
(nm)
0.143
-----0.217
0.114
------ Adapted from
Table, "Charac------ teristics of
0.149 Selected
0.197 Elements",
inside front
0.071 cover,
0.265 Callister 6e.
-----0.125
0.125
0.128
-----0.122
0.122
0.144
----------15

DENSITIES OF MATERIAL CLASSES

metalsceramicspolymers
Why?

30

Metals have...

(g/cm3)

close-packing
(metallic bonding)
large atomic mass

Ceramics have...

less dense packing

(covalent bonding)
often lighter elements

Polymers have...

Metals/
Alloys

20

Platinum
Gold, W
Tantalum

10

Silver, Mo
Cu,Ni
Steels
Tin, Zinc

5
4
3
2

1
poor packing
(often amorphous)
lighter elements (C,H,O)0.5

Composites have...

intermediate values

0.4
0.3

Graphite/
Ceramics/ Polymers
Semicond

Titanium
Aluminum
Magnesium

Composites/
fibers

Based on data in Table B1, Callister

*GFRE, CFRE, & AFRE are Glass,
Carbon, & Aramid Fiber-Reinforced
Epoxy composites (values based on
60% volume fraction of aligned fibers
in an epoxy matrix).
Zirconia
Al oxide
Diamond
Si nitride
Glass-soda
Concrete
Silicon
Graphite

PTFE
Silicone
PVC
PET
PC
HDPE, PS
PP, LDPE

Glass fibers
GFRE*
Carbon fibers
CFRE *
Aramid fibers
AFRE *

Wood
Data from Table B1, Callister 6e.
16

POLYCRYSTALS
Most engineering materials are polycrystals.

1 mm

Adapted from Fig. K,

color inset pages of
Callister 6e.
(Fig. K is courtesy of
Paul E. Danielson,
Teledyne Wah Chang
Albany)

Nb-Hf-W plate with an electron beam weld.

Each "grain" is a single crystal.
If crystals are randomly oriented,
overall component properties are not directional.

Crystal sizes typ. range from 1 nm to 2 cm

(i.e., from a few to millions of atomic layers).

18

SCANNING TUNNELING
MICROSCOPY
Atoms can be arranged and imaged!
Photos produced from
the work of C.P. Lutz,
Zeppenfeld, and D.M.
Eigler. Reprinted with
permission from
International
Business Machines
Corporation,
copyright 1995.

Carbon monoxide
molecules
arranged on a
platinum (111)
surface.

Iron atoms
arranged on a
copper (111)
surface. These
Kanji characters
represent the word
atom.
21

DEMO: HEATING AND

COOLING OF AN IRON WIRE
Demonstrates "polymorphism"
Temperature, C
1536

The same atoms can

have more than one
crystal structure.

Liquid
BCC Stable

1391
longer
heat up
FCC Stable

914
Tc 768

BCC Stable

cool down

shorter!
longer!
magnet falls off
shorter
22

SINGLE VS POLYCRYSTALS
Single Crystals

E (diagonal) = 273 GPa

-Properties vary with

direction: anisotropic.
-Example: the modulus
of elasticity (E) in BCC iron:

Polycrystals
-Properties may/may not
vary with direction.
-If grains are randomly
oriented: isotropic.
(Epoly iron = 210 GPa)

-If grains are textured,

anisotropic.

E (edge) = 125 GPa

200 m

Data from Table 3.3,

Callister 6e.
(Source of data is
R.W. Hertzberg,
Deformation and
Fracture Mechanics
of Engineering
Materials, 3rd ed.,
John Wiley and Sons,
1989.)

Adapted from Fig.

4.12(b), Callister 6e.
(Fig. 4.12(b) is
courtesy of L.C.
Smith and C. Brady,
the National Bureau
of Standards,
Washington, DC [now
the National Institute
of Standards and
Technology,
Gaithersburg, MD].)

19

Arah Kristal
z

Kristal adalah susunan

atom-atom secara teratur
dan kontinu pada arah
tiga dimensi
Satuan sel adalah
susunan terkecil dari
kristal
Parameter kisi struktur
kristal
Panjang sisi a, b, c
Sudut antara sumbu

y
a

Sistem Kristal
Parameter kisi diklasifikasikan dalam tujuh
sistem kristal dan empat belas kisi kristal
Arah kristal
z
dinyatakan sebagai
vektor dalam [uvw]
uvw merupakan
[111]
bilangan bulat
c
[100]
a
Himpunan arah
[110]
<111> terdiri dari
b
x
[111], [111], [111],
[111], [111], [111],
[111], [111]

Bidang Kristal
Dinyatakan dengan
(hkl)
hkl merupakan
bilangan bulat

Bid (110)
mengacu titik asal
O

a
b

Bid. (110) ekivalen

Bid (111)
mengacu titik asal
O

c
x

a
b

Bid. (111) ekivalen

Menentukan Indeks Miller

Bidang Kristal
z
Prosedur menentukan bidang
kristal
x
y z
Perpotongan ~a -b c/2
Perpotongan (dlm a, b dan c)
~ -1
Resiprokal
0 -1 2/1
Penentuan
(012)

1/2
c

a y
b

bid.(012)

Menentukan Indeks Miller

Arah Kristal
z

Prosedur menentukan arah

kristal
x y z
Proyeksi
a/2 b 0
Proyeksi (dlm a, b, c)
1 0
Reduksi
1 2 0
Penentuan
[120]

Proyeksi pd sb y:
Proyeksi pd b
sb x: a/2
y

CRYSTALS AS BUILDING BLOCKS

Some engineering applications require single crystals:
--diamond single
crystals for abrasives
(Courtesy Martin
Deakins,
GE Superabrasives,
Worthington, OH. Used
with permission.)

--turbine blades
Fig. 8.30(c), Callister 6e.
(Fig. 8.30(c) courtesy
of Pratt and Whitney).

Crystal properties reveal features

of atomic structure.
--Ex: Certain crystal planes in quartz
fracture more easily than others.
(Courtesy P.M. Anderson)

17

X-RAYS TO CONFIRM CRYSTAL STRUCTURE

Incoming X-rays diffract from crystal planes.

extra
distance
travelled
by wave 2

Measurement of:
Critical angles, c,
for X-rays provide
atomic spacing, d.

reflections must
be in phase to
detect signal

Adapted from Fig.

3.2W, Callister 6e.

spacing
d between
planes

x-ray
intensity
(from
detector)

d=n/2sinc

20

SUMMARY
Atoms may assemble into crystalline or
amorphous structures.
We can predict the density of a material,
provided we know the atomic weight, atomic
radius, and crystal geometry (e.g., FCC,
BCC, HCP).
Material properties generally vary with single
crystal orientation (i.e., they are anisotropic),
but properties are generally non-directional
(i.e., they are isotropic) in polycrystals with
randomly oriented grains.
23

MATERIALS AND PACKING

Crystalline materials...
atoms pack in periodic, 3D arrays
typical of: -metals
-many ceramics
-some polymers
crystalline SiO2
Adapted from Fig. 3.18(a),
Callister 6e.

Noncrystalline materials...
atoms have no periodic packing
occurs for: -complex structures
-rapid cooling
"Amorphous" = Noncrystalline

Si

Oxygen

noncrystalline SiO2
Adapted from Fig. 3.18(b),
Callister 6e.
3