MKT 1122 MATERIALS SCIENCE

Lecture-2
(Structure of Solids)

Umut KARAGÜZEL

Yıldız Technical University

Mechanical Engineering Department
• Solid materials may be classified according to the regularity of
their atoms.
• Long-Range ordered structures in solids are called crystalline
structures.
• In a crystalline material, the atoms are situated in a repeating
order over large atomic distances.
• During solidification, the atoms take position in a repetitive three-
dimensional pattern, in which each atom is bonded to its nearest-
neighbor atoms.
• All metals, many ceramic materials form crystalline structures
under normal solidification conditions.
• For others long-range atomic order is absent and these orderless
structures are called noncrystalline or amorphous structures.
• Glasses and polymeric materials normally have amorphous
structures.
The term lattice is used to define crystal structures. Unit cell is
the smallest crystal structures exhibiting all properties belong to
the types of crystals

LATTICE Unit Cell

Lattice
Lattice Point
Parameter

The unit cell geometry is completely defined in terms of 6

parameters:
3 edge lengths a, b, and c, and 3 interaxial angles α, β, and γ.
7 crystal
systems
Important Crystal Structures in Metals and Alloys

A. Face Centered Cubic (fcc) Structure

Fcc Unit cell

 Coordination Number (CN) is the number of the nearest-neighbor (touching)
atoms for an atom in the crystal

4 touching atoms (white) in

Reference the upper plane (not seen!)
atom

4 touching atoms (red)

in the same plane

4 touching atoms (white)

in the lower plane

FCC Unit Cell contains:

• 1/2 atoms at the centers of surface planes (for 6 atom) = 1/2 x 6 =

3 atoms on surface centers,

• 1/8 atoms at the corners (for 8 atoms) = 1/8 x 8 = 1 atom at corners

Total: 4 atoms/unit cell

The relationship between lattice parameter (a) and atom radius (R) can be
obtained by using a geometrical relationship on the atomically densest plane.

Face plane is
the densest

Al, Ni, Cu, Pb, Fe (γ) ...

 Atomic Packing Factor (APF):

The sum of the atom volumes of all atoms in a unit cell divided by the unit
cell volume. (Atoms are assumed to be hard-spheres!)

B. Body Centered Cubic (bcc) Structure

The relationship between lattice parameter and atom radius:

Diagonal plane is
the densest
z

Fe (α), Cr, Mo ...

 Coordination Number: 8

4 touching atoms (red) in

the upper plane

Reference 4 touching atoms (red) in

Atom the lower plane

Atomic Packing Factor:

BCC Unit Cell contains:

• 1 atom at the center = 1 atom

• 1/8 atoms at the corners (for 8 atoms) = 1/8 x 8 = 1 atom

Total: 2 atoms/unit cell

 C. Hexagonal Close-Packed (hcp) Structure

1
2

Midplane

Basal
Planes

• 3 hexagonal cells, each contains an atom at its center, are brought

together in close-packed form.
• The top and bottom faces (Basal Planes) of the unit cell consist of 6
atoms at the corners and 1 atom at the center.
• There is 1 midplane containing 3 atoms.
• Coordination number for hcp structure is 12 and APF is 0.74
• Zn, Mg, Ti...
Iron (γ) (Austenite) FCC 0.1241

1 nm = 10-9 m !!!

Calculation of Theoretical Density of Solids:

# of atoms in Atomic weight,
unit cell (g/mol)

Theoretical
Density, (g/cm3) Avagadro’s number
(6.023 x 1023 atoms/mol)
Unit cell
volume, (cm3)
EXAMPLE (For Copper):

Crystal Structure: FCC, 4 atoms/unit cell

Atomic Weight = 63.55 g/mol (1 amu = 1 g/mol)

Atomic Radius = 0.128 nm (1 nm = 10-7 cm)

Volume of unit cell = VC = a3 = 4.75 x 10-23 cm3 (for FCC copper)

Theorethical Density of Copper = ρ = 8.89 g/cm3

 Points, Directions and Planes in Crystals

For cubic systems, labeling conventions are designated

by three numbers (indices) for points, directions, and
planes (Miller Indices).

The basis for determining index values is the unit cell,

with a right-handed coordinate system consisting of three
(x, y, and z) axes.

For some crystal systems (i.e. hexagonal close-packed),

the three axes are not mutually perpendicular, as in the
case of Cartesian coordinate system and more than three
numbers are needed (i.e. 4 for hexagonal) to define
directions and planes.
Points in Crystals
 Directions in Crytals

A crystallographic direction is defined as a line between two points, or a

vector. Rules for determining Miller Indices of Directions:

1. The coordinates of starting point of the direction vector in the unit

cell are determined.
2. The coordinates of ending point of the direction vector in the unit cell
are determined.
3. Coordinates of starting point will be subtracted arithmetically from the
coordinates of ending point.
4. The determined numbers are multiplied or divided by a common factor
to reduce them into the smallest integer values (if needed).
5. The three indices are enclosed by square brackets without commas
between them [uvw].
6. If negative values are present, bars are placed on top of them in
order to designate the indices
7. All directions which have the same characteristics are grouped together
into a family of directions and the numbers are enclosed by angle
brackets <uvw>.
EXAMPLES
z

C
D

A B

x
 Planes in Crystals

Rules for determining Miller Indices for Planes:

1. If the plane passes through the origin, another parallel plane
must be constructed by an appropriate translation, or a new origin
must be established at the corner of another unit cell.
2. The crystallographic plane either intersects or lies parallel each of the
three axes. The coordinates of intersection points for each axis are
determined.
3. The reciprocals of these numbers are taken. A plane that parallels an
axis may be considered to have an infinite intercept, and, therefore, a
zero index.
4. If necessary, these three numbers are changed to the set of smallest
integers by multiplication or division by a common factor.
5. The integer indices are enclosed within parentheses ( h k l ) without
using commas!!!
6. An intercept on the negative side of the origin is indicated by a bar or
minus sign positioned over the index number.
7. Planes having the same characteristics are assumed as plane family
the indices are taken into big parentheses without using commas
 EXAMPLES

z
z z z’

A B

y o’
o y

y
x
x
x
x’

x
 LINEAR and PLANAR (Atomic) DENSITIES

Linear density (LD): The number of atoms per unit length,

whose centers lie on the direction vector for a specific
crystallographic direction.

Planar density (PD): The number of atoms per unit area

limited by unit cell. Atoms should always be centered on
the crystallographic plane.
FCC Crystal ½ atom on line segment
in the unit cell
a

1 atom on line segment

in the unit cell

½ atom on line segment

in the unit cell

(001)

Totally 2 atoms are present

on the line segment in [110]
direction for fcc crystal.
 FCC Crystal

1/6 th of the atom in equilateral

(111) z triangular (111) plane

½ of the atom in
equilateral triangular
y (111) plane

At corners: 3 x 1/6 Atoms = ½ atoms

At the center of edges: 3 x ½ Atoms = 3/2 atoms

Total atoms in the plane area: 2 atoms

 SINGLE and POLY CRYSTALS

Grown
Nucleus
Liquid Unit
cell

Crystal
Nucleus

Irregular Shaped Grain

Grain Boundaries
(mono crystal) Grain

Multi grain (poly crystal) Structure

 X-RAY DIFFRACTION of CRYSTAL STRUCTURES

If parallel, monochromatic beam of x-rays of known wavelength is

incident on these two planes at an angle ɵ and diffracted with the same
angle; they are regarded as in phase and Bragg’s law is ensured.

n : an integer (1, 2, 3, ),
λ : wave length of the rays,
dhkl : interplanar spacing
ɵ : Bragg angle
 The distance between two adjacent, parallel planes of atoms (i.e., the
interplanar spacing dhkl) is a function of the Miller indices (h, k, and l)
andthe lattice parameter (a).

If λ is known and ɵ is measured properly, dhkl can be calculated and

the lattice parameter is found. Lattice parameter is a function of
atomic radius R, the element of specimen can be determined.
 NON-CRYSTALLINE SOLIDS

Noncrystalline solids lack of a systematic and regular arrangement of

atoms over relatively large atomic distances.

Sometimes such materials are also called amorphous (i.e.“without form”).