Susunan Atom dan

Struktur Kristal

The world of materials

Steels
Cast irons
Al-alloys

Metals
Cu-alloys
Ni-alloys
Ti-alloys
PE, PP, PC
PA (Nylon)

Alumina
Si-Carbide

Polymers,
elastomers

Ceramics,
glasses

GFRP
CFRP

Soda-glass
Pyrex

Composites

Butyl rubber
Neoprene

KFRP
Plywood

Woods

Polymer foams
Metal foams

Natural
materials

Foams
Ceramic foams
Glass foams

Natural fibres:
Hemp,
Cotton

Material Teknik
Jumlah material teknik sangat besar:
40.000 - 80.000 jenis.
Desainer harus memilih dan
menseleksi dari jumlah tersebut.
Tanpa acuan dan rujukan serta
pengetahuan, memilih material
menjadi masalah rumit dan
kompleks.
3

FAKTOR DESAIN & PEMILIHAN MATERIAL

Selain Terdapat 40.000

80.000 Materials, juga

Terdapat Beribu
Processing Route

Meski Demikian Material

Selection Tidak Mudah

Faktor Faktor Yang

Mempengaruhi:

Selecting the Optimal

Combination

Cost

Performance

MATERIALS

Safety

SHAPE

Risk

MANUFACTURING
PROCESS

Aesthetics

Enviromental Impact

Recyclability

Lower Product Cost

Faster Time to Market

Reduces in Service Failures

Materials vs Process
Casting
Forging
Welding

Metal

Machining

Polimer

Pressing

Keramik

Injection

Komposit

Molding

Process Improvement : 10 20 % Penghematan Production

Cost
Substitusi Materials: 50 60 % Penghematan Production
Cost
5

Substitusi Aluminium Tuang ke Polimer

Subsitusi Material

Nylon 66

Aluminium
Keuntungan :

1. Lebih ringan dengan reject yg kecil

2. Tidak perlu proses machining
3. Bahan bakar lebih efisien
4. Cost produksi tereduksi

Properties a Designer Might Be

Interested In

Mechanical Strength
Ductility
Impact Resistance
Behavior at temperature extremes
Thermal Conductivity
Electrical Conductivity
Wear resistance
Corrosion Resistance
7

KARAKTERISTIK MATERIALS
Sifat Fisik

Sifat Mekanik

Density

Creep

Conductivity
(thermal dan
heat)

Fatique

Impact

Efek
Perlakuan
Panas Thd
Sifat Mekanik

Efek
Lingkungan
Thd Sifat
Mekanik

Melting Temp
Coeff thermal
expantion
Microstructure
Surface
characteristic

Corrosion/
Wear

Rate of
Corrosion
&
Errosion/
wear

Key Relationships
Material properties depend on the material
microstructure, which in turn results from its
composition and processing
Processing Microstructure Properties

10

(a) Silikon single kristal.

(b) Polikristalin stainless steel
menunjukan butir dan batas
butir.

11

Klasifikasi material berdasarkan tipe susunan atom.

12

13

Amorphous Materials
Amorphous materials - Materials, including
glasses, that have no long-range order, or
crystal structure.
Glasses - Solid, non-crystalline materials that
have only short-range atomic order.
Glass-ceramics - A family of materials typically
derived from molten inorganic glasses and
processed into crystalline materials with very
fine grain size and improved mechanical
properties.
14

Atomic arrangements in crystalline silicon and amorphous

silicon. (a) Amorphous silicon. (b) Crystalline silicon. Note
the variation in the inter-atomic distance for amorphous
silicon.

15

Lattice, Unit Cells, Basis, dan

Crystal Structures
Lattice - A collection of points that divide space
into smaller equally sized segments.
Basis - A group of atoms associated with a
lattice point.
Unit cell - A subdivision of the lattice that still
retains the overall characteristics of the entire
lattice.
Atomic radius - The apparent radius of an atom,
typically calculated from the dimensions of the
unit cell, using close-packed directions
(depends upon coordination number).
Packing factor - The fraction of space in a unit
cell occupied by atoms.16

 Struktur kristal adalah pola susunan tiga

dimensi yang teratur dari atom-atom dalam
suatu ruang.
Struktur kristal diidealisasikan sebagai kisi
ruang atau kisi kristal dengan pola susunan 3D
dari titik-titik lain yang sama/identik.
Pola terkecil dari susunan atom/titik dalam
suatu ruang disebut sel satuan.

Sel satuan BCC

Sel satuan FCC

17

Menurut A.J. Bravais, jenis kristal terbagi atas 7

sistem kristal, yaitu:
1. Kubik
2. Tetragonal
3. Rombohedral
4. Heksagonal
5. Ortorombik
6. Monoklik
7. Triklinik
Dari
masing-masing
sistem
kristal
terdapat
beberapa sel satuan hingga semuanya ada 14 sel
satuan.
Tetapi pada umumnya logam memiliki sel satuan:
1. BCC (body centered cubic/kubus pusat badan)
2. FCC (face centered cubic/kubus pusat muka)
3. HCP (hexagonal
susunan padat)

close
18

packed/heksagonal

7 sistem kristal
yang terbagi
menjadi 14 sel
satuan Bravais.

(c) 2003 Brooks/Cole Publishing / Thomson Learning

19

20

Definisi lattice
parameter atau
parameter kisi
pada sistem
kubik,
ortorombik dan
heksagonal.

21

Susunan atom pada kristal

BCC

FCC

HCP
22

Susunan atom pada kristal

BCC

FCC

HCP
23

24

(a)Pembagian
atom dalam
unit sel
(b)Contoh: simple
cubic (SC),
body centered
cubic (BCC),
and facecentered cubic

Example 1
Determining the Number of Lattice Points
in Cubic Crystal Systems
Determine the number of lattice points per cell in the cubic
crystal systems. If there is only one atom located at each
lattice point, calculate the number of atoms per unit cell.
Example 1 SOLUTION
In the SC unit cell: lattice point / unit cell = (8 corners)1/8 = 1
In BCC unit cells: lattice point / unit cell
= (8 corners)1/8 + (1 center)(1) = 2
In FCC unit cells: lattice point / unit cell
= (8 corners)1/8 + (6 faces)(1/2) = 4
The number of atoms per unit cell would be 1, 2, and 4, for the
simple cubic, body-centered cubic, and face-centered cubic,
unit cells, respectively.
25

Example 1
Determining the Number of Lattice Points
in Cubic Crystal Systems
Determine the number of lattice points per cell in the cubic
crystal systems. If there is only one atom located at each
lattice point, calculate the number of atoms per unit cell.
Example 1 SOLUTION
In the SC unit cell: lattice point / unit cell = (8 corners)1/8 = 1
In BCC unit cells: lattice point / unit cell
= (8 corners)1/8 + (1 center)(1) = 2
In FCC unit cells: lattice point / unit cell
= (8 corners)1/8 + (6 faces)(1/2) = 4
The number of atoms per unit cell would be 1, 2, and 4, for the
simple cubic, body-centered cubic, and face-centered cubic,
unit cells, respectively.
26

Kubus Pusat Badan/body centered cubic (BCC)

Pada sel satuan terlihat bahwa ada satu atom yang dikelilingi
oleh 8 atom lainnya sehingga kita bisa hitung berapa jumlah
atom pada sel satuan ini.
Pada BCC, ada satu atom lengkap bentuknya, kemudian ada 8
atom pada masing-masing ujung kisi.
Maka jumlah atom per sel satuan:
1 + (8 x 1/8) = 2 atom per sel satuan
27

Kubus Pusat Muka/face centered cubic (FCC)

Pada sel satuan FCC terdapat 4 atom yang terdiri

dari:
6 x = 3 atom
8 x 1/8 = 1 atom
28

Heksagonal Susunan Padat/hexagonal close packed (HCP)

Pada sel satuan HCP terdapat 6 atom yang terdiri dari:

3 atom dibagian tengah,
2 x 6 x 1/6 = 2 atom
Di bagian atas dan bawah: 2 x = 1 atom
29

Example.2
Determining the Relationship between
Atomic Radius and Lattice Parameters
Determine the relationship between the atomic radius
and the lattice parameter in SC, BCC, and FCC
structures when one atom is located at each lattice
point.

The relationships between the atomic radius and the Lattice

parameter in cubic systems

30

Example 2 SOLUTION
Referring to the Figure, we find that atoms touch along
the edge of the cube in SC structures.

a0

2r

In BCC structures, atoms touch along the body diagonal.

There are two atomic radii from the center atom and one
atomic radius from each of the corner atoms on the body
diagonal, so

a0

4r

In FCC structures, atoms touch along the face diagonal

of the cube. There are four atomic radii along this
lengthtwo radii from the face-centered atom and one
radius from each corner, so:

a0

4r

2
31

Radius atom vs parameter kisi

Panjang kisi (a):

3a 4 R
atau

4R
a
3
R = radius atom
32

Logam-logam dengan sel satuan BCC

Logam
Krom

Panjang kisi
(a, nm)
0.289

Radius atom
(R, nm)
0.125

Besi

0.287

0.124

Molibdenum

0.315

0.136

Potasium

0.533

0.231

Natrium

0.429

0.186

Tantalum

0.330

0.143

Tungsten

0.316

0.137

Vanadium

0.304

0.132

33

Kubus Pusat Muka/face centered cubic (FCC)

Panjang kisi
(a):

2a 4 R
atau

4R
a
2
34

Logam-logam dengan sel satuan FCC

Logam

Panjang kisi
(a, nm)

Radius atom
(R, nm)

Aluminum

0.405

0.143

Tembaga

0.3615

0.128

Emas

0.408

0.144

Timah hitam

0.495

0.175

Nikel

0.352

0.125

Platina

0.393

0.139

Perak

0.409

0.144

35

Logam-logam dengan sel satuan HCP

Logam
Cadminu
m
Seng
Magnesiu
m
Cobalt
Zirkon

Panjang kisi,
nm
a
0.297
3
0.266
5
0.320
9
0.250
7
0.323
1

c
0.561
8
0.494
7
0.520
9
0.406
9
0.514
8 36

Jari-jari
atom

rasio
c/a

R, nm
0.149

1.89

0.133

1.856

0.16

1.623

0.125

1.623

0.16

1.593

Illustration of coordinations in (a) SC and (b) BCC unit cells.

Six atoms touch each atom in SC, while the eight atoms
touch each atom in the BCC unit cell.

37

Atomic Packing Factor (APF)

Perbandingan volume atom didalam sel satuan
terhadap volume sel satuan dinyatakan sebagai
faktor kepadatan atom atau atomic packing factor
(APF).
Volume atom pada sel satuan
APF =
Volume sel satuan

38

Example 3
Calculating the Packing Factor
Calculate the atomic packing factor for the FCC cell.
Example 3 SOLUTION
In a FCC cell, there are four lattice points per cell; if there is
one atom per lattice point, there are also four atoms per cell.
The volume of one atom is 4r3/3 and the volume of the unit
cell is a 3.
0

4 3
(4 atoms/cell)( r )
3
Packing Factor

a03
Since, for FCC unit cells, a 0 4r/
4 3
(4)( r )
3
Packing Factor

3
( 4r / 2 )
39

0.74
18

Example 4
Determining the Density of BCC Iron
Determine the density of BCC iron, which has a lattice
parameter of 0.2866 nm, Atomic mass = 55.847 g/mol.
Example 4 SOLUTION
Atoms/cell = 2, a0 = 0.2866 nm = 2.866 10-8 cm
3

Volume of unit cell =a = (2.866 10-8 cm)3 = 23.54 10-24

0
cm3/cell
Avogadros number NA = 6.02 1023 atoms/mol

(number of atoms/cell)(atomic mass of iron)

Density
(volume of unit cell)(Avogadro' s number)
(2)(55.847)
3

7
.
882
g
/
cm
(23.54 10 24 )(6.02 10 23 )
40

The hexagonal close-packed (HCP) structure (left) and its

unit cell.

41

42

Allotropic or Polymorphic
Transformations
Allotropy - The characteristic of an element being able to
exist in more than one crystal structure, depending on
temperature and pressure.
Polymorphism - Compounds exhibiting more than one
type of crystal structure.

43

Sensor gas oksigen pada kendaraan yang

terbuat dari Zirkonia.

44

Example 5
Calculating Volume Changes in Polymorphs of
Zirconia
Calculate the percent volume change as zirconia
transforms from a tetragonal to monoclinic
structure.
The lattice constants for the monoclinic unit cells are: a =
5.156, b = 5.191, and c = 5.304 , respectively. The
angle for the monoclinic unit cell is 98.9.
The lattice constants for the tetragonal unit cell are a =
5.094 and c = 5.304 , respectively.
Does the zirconia expand or contract during this
transformation? What is the implication of this
transformation on the mechanical properties of zirconia
ceramics?
45

Example 5 SOLUTION
The volume of a tetragonal unit cell is given by
V = a2c = (5.094)2 (5.304) = 134.33 3.
The volume of a monoclinic unit cell is given by
V = abc sin = (5.156) (5.191) (5.304) sin(98.9) = 140.25 3.
Thus, there is an expansion of the unit cell as ZrO2 transforms
from a tetragonal to monoclinic form.
The percent change in volume
= (final volume initial volume)/(initial volume) 100
= (140.25 - 134.33 3)/140.25 3 * 100 = 4.21%.
Most ceramics are very brittle and cannot withstand more than a
0.1% change in volume. The conclusion here is that ZrO 2 ceramics
cannot be used in their monoclinic form since, when zirconia does
transform to the tetragonal form, it will most likely fracture.
Therefore, ZrO2 is often stabilized in a cubic form using different
additives such as CaO, MgO, and Y2O3.

46

Kedudukan atom dalam sel satuan

Untuk mengetahui posisi atom di dalam suatu sel
satuan digunakan sumbu x, y dan z.

47

Mengetahui keberadaan atom-atom dalam suatu sel satuan

sangatlah penting, karena dengan mengetahuinya dapat
diketahui mudah tidaknya logam dideformasi.
Akibat adanya gaya dari luar, maka atom-atom logam akan
bergerak dimana pergerakannya sangat tergantung dari
kerapatan dan posisi atom di dalam sel satuan, sehingga
perlu diketahui di mana arah dan bidangnya.
48

Indeks Miller
Untuk mengetahui bidang suatu bidang kisi dari sel satuan
digunakanlah notasi Miller atau Indeks Miller.
Indeks Miller: kebalikan dari perpotongan suatu bidang dengan
ketiga sumbu yang dinyatakan dengan bilangan untuk bukan
pecahan atau kelipatan bersama.
Langkah yang dilakukan:
1.Tentukan titik potong yang akan diberi indeks dengan sumbu
(x,y,z).
2.Tentukan harga kebalikannya (resiprokal).
Contoh:
No
.
1

2
3

Langkah yang harus

dilakukan
Tentukan titik potong yang
akan diberi indeks dengan
sumbu
Tentukan harga
kebalikannya
Harga indeks Miller

49

1/1

1/~

1/~

Notasi dalam indeks Miller:

( ) = indeks bidang yang bersangkutan
[ ] = indeks dari arah bidang yang bersangkutan
< > = semua kumpulan arah yang sama
{ } = semua bidang yang sama
Contoh:
[100], [010], [0-10], [00-1], [-100] = <100>

50

Example 6
Determining Miller Indices of Directions
Determine the Miller indices of directions A, B, and C

Arah A
1. Titik: 1, 0, 0, and 0, 0, 0
2. 1, 0, 0, -0, 0, 0 = 1, 0, 0
4. [100] indeks Miller
Arah B
1. Titik: 1, 1, 1 and 0, 0, 0
2. 1, 1, 1, -0, 0, 0 = 1, 1, 1
3. [111]
Arah C
1. Titik: 0, 0, 1 and 1/2, 1, 0
2. 0, 0, 1 -1/2, 1, 0 = -1/2,
-1, 1
3. 2(-1/2, -1, 1) = -1, -2, 2
51

Persamaan arah kristal

52

53

Example 7
Determining Miller Indices of Planes
Determine the Miller indices of planes A, B, and C

Bidang A
1. x = 1, y = 1, z = 1
2.1/x = 1, 1/y = 1,1 /z
=1
3. (111)
Bidang B

54

1. x = 1, y = 2, and z
=~
2.1/x = 1, 1/y =1/2,
1/z = 0
3. (210)

55

Example 8
Drawing Direction and Plane
Draw (a) the [1 2 1] direction and (b) the
cubic unit cell.

56

[ 2 10] plane in a

Example 8
Drawing Direction and Plane
Draw (a) the [1 2 1] direction and (b) the
cubic unit cell.

57

[ 2 10] plane in a

Bidang A
Arah dan bidang pada HCP:
1. a = a = a

=~ ,c=1
2. 1/a1 = 1/a2 = 1/a3 = 0, 1/c
=1
3. (0001)
1

Bidang B
1. a1 = 1, a2 = 1, a3 = -1/2, c
=1
2. 1/a1 = 1, 1/a2 = 1, 1/a3 = -2,
1/c = 1
3. (11-21)
Arah C
1. Titik: 0, 0, 1 and 1, 0, 0.
2. 0, 0, 1, -1, 0, 0 = -1, 0, 1
3. [-101]
Arah D
58 1. Titik: 0, 1, 0 and 1, 0, 0.
2. 0, 1, 0, -1, 0, 0 = -1, 1, 0

59

The ABABAB
stacking sequence
of close-packed
planes produces
the HCP structure.

60

The ABCABCABC stacking sequence of close-packed

planes produces the FCC structure.

61

Interstitial Sites
Interstitial sites - Locations between the normal atoms
or ions in a crystal into which another - usually different
- atom or ion is placed. Typically, the size of this
interstitial location is smaller than the atom or ion that is
to be introduced.
Cubic site - An interstitial position that has a
coordination number of eight. An atom or ion in the
cubic site touches eight other atoms or ions.
Octahedral site - An interstitial position that has a
coordination number of six. An atom or ion in the
octahedral site touches six other atoms or ions.
Tetrahedral site - An interstitial position that has a
coordination number of four. An atom or ion in the
tetrahedral site touches four other atoms or ions.
62

The location of the interstitial sites in cubic unit cells.

63

Example 9
Calculating Octahedral Sites
Calculate the number of octahedral sites that uniquely
belong to one FCC unit cell.
Example 9 SOLUTION
The octahedral sites include the 12 edges of the unit cell,
with the coordinates

1
,0,0
2
1
0, ,0
2
1
0,0,
2

1
1
1
,1,0
,0,1
,1,1
2
2
2
1
1
1
1, ,0 1, ,1 0, ,1
2
2
2
1
1
1
1,0,
1,1,
0,1,
2
2
2

plus the center position, 1/2, 1/2, 1/2.

64

Example 9 SOLUTION (Continued)

Each of the sites on the edge of the unit cell is shared
between four unit cells, so only 1/4 of each site belongs
uniquely to each unit cell.
Therefore, the number of sites belonging uniquely to each
cell is:
(12 edges) (1/4 per cell) + 1 center location
= 4 octahedral sites

65

66

Example 10
Design of a Radiation-Absorbing Wall
We wish to produce a radiation-absorbing wall composed of
10,000 lead balls, each 3 cm in diameter, in a facecentered cubic arrangement. We decide that improved
absorption will occur if we fill interstitial sites between the
3-cm balls with smaller balls. Design the size of the
smaller lead balls and determine how many are needed.

Calculation of an
octahedral interstitial site

67

Example 10 SOLUTION
First, we can calculate the diameter of the octahedral
sites located between the 3-cm diameter balls. Figure
3.30 shows the arrangement of the balls on a plane
containing an octahedral site.
Length AB = 2R + 2r = 2R 2
r = 2 R R = ( 2 - 1)R
r/R = 0.414
This is consistent with Table 3-6. Since r = R = 0.414, the
radius of the small lead balls is
r = 0.414 * R = (0.414)(3 cm/2) = 0.621 cm.
From Example 3-12, we find that there are four
octahedral sites in the FCC arrangement, which also has
four lattice points. Therefore, we need the same number
of small lead balls as large lead balls, or 10,000 small
balls.

68