ME2200: Materials and Design

Ratna Kumar Annabattula

Department of Mechanical

Structure of Materials Engineering

IIT Madras
[email protected]
Phone: +91-44-2257-4719

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 Learning Outcomes

❖ Identify platonic solids and define a solid geometrically

❖ Prove that there can only be 5 types of regular solids
❖ Identify Lattice parameters for different crystal systems
❖ Define a crystal system based on the symmetry level
 Structure (from sub atomic to
atomic)

❖ Interatomic bonding is determined by the electron

structures of individual atoms
❖ Reading assignment: Callister's Chapter 2 (Atomic
Structure and Interatomic Bonding)
❖ Today, we will discuss the structure at atomic level, i.e.,
arrangement of atoms in solid state
 Platonic Solids

❖ Tetrahedron
❖ Hexahedron
❖ Octahedron
❖ Dodecahedron
❖ Icosahedron

Regular Convex Polyhedra

 Platonic Solids

❖ Tetrahedron
❖ Hexahedron
❖ Octahedron
❖ Dodecahedron
❖ Icosahedron
 Platonic Solids

Pythagoras
❖ Tetrahedron (4 faces)
Pythagoras
❖ Hexahedron (6 faces)
❖ Octahedron (8 faces) Theaetetus

❖ Dodecahedron (12 faces) Pythagoras

❖ Icosahedron (20 faces)

Theaetetus

Read this article for more information: https://en.wikipedia.org/wiki/Platonic_solid

 Platonic Solids

❖ Tetrahedron
❖ Hexahedron
❖ Octahedron
❖ Dodecahedron
quasi crystals, bucky balls
❖ Icosahedron
quasi crystals, bucky balls

Plato (left) with his student Aristotle (right)

Source: wikipedia
Source: Robert Webb’s Stella software http://www.software3d.com/Stella.php.
 Platonic Solids (Pancha Boothas)

Fire
❖ Tetrahedron
❖ Hexahedron Earth

❖ Octahedron Air
❖ Dodecahedron Sky (Ether)
quasi crystals, bucky balls
❖ Icosahedron
Water
quasi crystals, bucky balls

Source: Robert Webb’s Stella software http://www.software3d.com/Stella.php.

 What is a regular solid ?

❖ A regular solid is formed when more than two regular

polygons meet at a corner and the total internal angle at
the corner is less than 3600

http://www.mathsisfun.com/geometry/platonic-solids-why-five.html
 How many types of regular solids are
possible?
Total
Geometry Number Solid
angle
Triangle
3 180 Tetrahedron
(600)
4 240 octahedron

5 300 Icosahedron

6 360 X
Square Hexahedron
3 270
(900) (cube)
4 360 X
Pentagon Dodecahedr
3 324
(1080) on

Source: Robert Webb’s Stella software http://www.software3d.com/Stella.php.

 How about a Hexagon?

❖ Hexagon’s internal angle is 1200 and hence 3 times 120

is 3600. Hence, it can’t be a solid, but a tiling.
❖ How is a soccer/volley ball made? (Hexagons?)
 Crystalline Solids
❖ Solid materials : regularity of the atomic/ionic arrangement
❖ Crystalline material is one in which the atoms (lattice points) are
arranged in a repeating or periodic array over large atomic
distances
❖ Long-Range order exists
❖ Each atom is bonded to its nearest neighbour
❖ Some of the properties depend on the crystal structure
❖ All metals, many ceramics and some polymers form crystalline
structure under normal conditions
 Why should we care about Crystal
structure?

❖ Important Physical Properties depend on crystal

structure
❖ Conductivity
❖ Magnetic properties
❖ Stiffness
❖ Strength
❖ Properties also depend on crystal orientation
 Crystalline Structure

❖ Characterised by repeating structures in three

dimensions
❖ Lattice
❖ Lattice Points
❖ Unit Cell
 How to identify a lattice?

❖ Choose an arbitrary reference point

❖ Mark the points identical to the reference point in the
pattern
❖ The set of identical points is the lattice
 Identify the Lattice

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Identify the Lattice
Identify the Lattice
Lattice
 Unit cell
❖ Repeated elements (unit cells) in three dimensions
❖ Unit cells are the building blocks of crystal structure
❖ Primitive and non-primitive unit cells
❖ Primitive: only one lattice point per unit cell
❖ non-primitive: more than one lattice point per unit cell

http://www.doitpoms.ac.uk/tlplib/crystallography3/unit_cell.php
Unit cell
 Unit cell

• All the parallelograms are valid unit cells

• Square is the smallest with most symmetry
 Unit Cell

• Smallest unit cell might not reflect symmetry

• Larger unit cell is chosen
• Primitive or non-primitive
Unit Cells
 Crystal vs Lattice

Lattice Crystal
A translationally periodic A translationally periodic
arrangement of points in arrangement of atoms in
3D 3D
 Crystal vs Lattice
Lattice Crystal
A translationally periodic arrangement of points A translationally periodic arrangement of atoms
in 3D in 3D

Crystal = Lattice + basis/motif

• Lattice: the periodicity or order of the crystal
• Basis/Motif: atom/group of atoms associated with each
lattice point
• Lattice: How to repeat
• Basis: What to repeat
 Crystal vs Lattice

Six lattice Lattice

parameters Cell
Lattice Crystal

Motif
 Lattice+Motif = Crystal

+ =

Lattice + Motif = Love Crystal

(Heart)

Concept Courtesy: Prof. Rajesh Prasad, IIT Delhi

 Unit cell

❖ In 2D: any parallelogram whose vertices are lattice points

❖ In 3D: any parallelepiped whose vertices are lattice points
❖ Infinite number ( of units cells) possible
❖ Smallest unit cell is chosen as a reference
 Symmetry of a Crystal Structure
❖ Two types of symmetry
❖ Rotational Symmetry
❖ Translational Symmetry
❖ A material which has the both types of symmetry
❖ Crystal
❖ Materials that do not possess both the symmetries
❖ Amorphous
❖ What if it has rotational symmetry and no translational symmetry?
❖ Quasicrystal (special 5-fold symmetry)
Cube (Rotational Symmetry, 4
fold)
 Cube (Rotational Symmetry, 4
fold)

• Ifwe rotate by45 0 then we generate new points

• For 900, we don't generate new points, hence 4
fold symmetry.
Cube (Translational Symmetry)
 Bravais Lattices
❖ Brvais in 1850 has shown that crystals could be divided
into 14 unit cells (and only 14)
❖ The unit cell is the simplest repeating unit in the
crystal
❖ Opposite faces of a unit cell are parallel
❖ The edge of the unit cell connects equivalent points
❖ More than one unit cell may be chosen for a particular
crystal structure
 Bravais lattices

❖ Cubic (a=b=c, all angles=900)

❖ Tetragonal (a=b≠c, all angles=900)
❖ Orthorhombic (a≠b≠c, all angles=900)
❖ Rhombohedral or Trigonal (a=b=c, three equal angles≠900)
❖ Hexagonal (a=b≠c, two angles=900,third angle=1200)
❖ Monoclinic (a≠b≠c, two angles=90o, third angle=any)
❖ Triclinic (a≠b≠c, no angle=90o and none of them are equal)
 Only 14 ways of filling a 3d space with long range order
(Bravais Lattice)

𝑎 ≠ 𝑏 ≠ 𝑐,
𝛼 ≠ 𝛽 ≠ 𝛾 ≠ 90°
𝑎 ≠ 𝑏 ≠ 𝑐,
𝛼 = 𝛾 = 90° ≠ 𝛽

𝑎 ≠ 𝑏 ≠ 𝑐,
𝛼 = 𝛽 = 𝛾 = 90°

𝑎 = 𝑏 ≠ 𝑐,
𝛼 = 𝛽 = 𝛾 = 90°
𝑎 = 𝑏 = 𝑐,
𝛼 = 𝛽 = 𝛾 ≠ 90°
𝑎 = 𝑏 ≠ 𝑐,
𝛼 = 𝛽 = 90°, 𝛾 = 120°

𝑎 = 𝑏 = 𝑐,
𝛼 = 𝛽 = 𝛾 = 90°
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 14 Bravais Lattices into 7 Crystal
Systems
Crsytal system Bravais Lattices
Cubic P I F P Primitive
Tetragonal P I Body
I
Orthorhombic P I F C Centre
Hexagonal P Face
F
Rhombohedral (Trigonal) P Centre
Monoclinic P C End
C
Triclinic P Centre
14 Bravais Lattices with 7 Crystal
Systems
Crsytal system Bravais Lattices
Cubic P I F ?
Tetragonal P I
Orthorhombic P I F C
Hexagonal P
Rhombohedral (Trigonal) P
Monoclinic P C
Triclinic P
 Why not End Centered Cubic in Bravais
Lattice?

Cubic C is equivalent to Tetragonal P

14 Bravais Lattices with 7 Crystal
Systems
Crsytal system Bravais Lattices
Cubic P I F ?
Tetragonal P I
Orthorhombic P I F C
Hexagonal P
Rhombohedral (Trigonal) P
Monoclinic P C
Triclinic P
Symmetry of 7 Crystal Systems
Crsytal system Required Symmetry Level
Cubic Three 4-fold axis
Tetragonal One 4-fold axis
Orthorhombic Three 2-fold axis
Hexagonal One 6-fold axis
Rhombohedral (Trigonal) One 3-fold axis
Monoclinic One 2-fold axis
Triclinic None
 Unit cell
z

𝛼
𝛽 y
c 𝛾 a

b
x
 Unit cell-Summary

•Unit Cell is the basic building block of a crystal

structure.
•A Unit Cell represents the symmetry of the crystal
structure.
•All the atom positions in the crystal may be
generated by translation of unit cell by integral
multiple distance along its edges.
•More than a single unit cell may be possible for a
given crystal structure.
 Crystallographic Points
𝑧
❖ The position of any point 𝑏
within a unit cell is specified in 𝑎
terms of its coordinates as
fractional multiples of unit cell 𝑐
edge lengths (i.e., in terms of a, 𝑃 𝑞𝑟𝑠
b, c) 𝑦
𝑠𝑐
❖ The point P is q r s.
𝑟𝑏
❖ No commas to separate
coordinates (usual convention) 𝑥
 Crystallographic Points
𝑧
0.56 nm

❖ Locate the point

0.5 nm
𝑞𝑟𝑠
𝑃
𝑠𝑐 𝑦

𝑟𝑏

𝑥
 Crystallographic Points
𝑧
0.56 nm

❖ Locate the point

0.5 nm
❖ x = 0.48*0.25 = 0.12 𝑃
❖ y = 0.56 * 1 = 0.56 𝑦
❖ z = 0.5 * 0.5 = 0.25

𝑥
Point Coordinates for atom positions in
BCC
𝑧
𝑎 9
𝑎 6

7 8

5
𝑎
𝑦
1 4

2 3
𝑥
 Point Coordinates for atom positions in
BCC
𝑧 Poin Fractional Lengths Coordinate
𝑎 t X- axis Y-axis Z-axis s
9
𝑎 6 1 0 0 0 000
8
2 1 0 0 100
7
5
3 1 1 0 110
𝑎 4 0 1 0 010
4
𝑦 5 ½ ½ ½ ½½½
1
6 0 0 1 001
2 3 7 1 0 1 101
𝑥
8 1 1 1 111
9 0 1 1 011
Point Coordinates for FCC ?

❖ Work it out now

 Crystallographic Directions
❖ Line between two points or a vector
❖ How do we determine directional indices?
❖ Vector (arbitrary length) is positioned to pass through the origin
❖ Translation is possible without alteration if parallelism is maintained
❖ Length of the vector projected on each axis measured in terms of unit cell
dimensions a, b, and c
❖ The three numbers are multiplied by a common factor to reduce to a smallest
integer
❖ The three indices are enclosed in a square brackets (no commas again): [uvw]: u,
v and w correspond to the reduced projections along the x, y and z axes,
respectively
 Crystallographic Directions
❖ A right-handed x-y-z coordinate system is first constructed. For convenience, the origin may
be located at a unit cell corner.
❖ Let’s say that the coordinates of two points that lie on the direction vector—for example, for
the vector tail, point 1: 𝑥1 , 𝑦1 and 𝑧1 ; whereas for the vector head, point 2: 𝑥2 , 𝑦2 , and 𝑧2 .

❖ Tail point coordinates are subtracted from head point components—that is, 𝑥2 − 𝑥1 , 𝑦2 −
𝑦1 , and 𝑧2 − 𝑧1 .

❖ The coordinate differences are normalized in terms of their respective lattice dimensions
𝑥 −𝑥 𝑦 −𝑦 𝑧 −𝑧
𝑎, 𝑏, 𝑐, i.e., 2 1 , 2 1 , 2 1 resulting in a set of 3 numbers.
𝑎 𝑏 𝑐

❖ The above 3 numbers are multiplied/divided by a common factor to reduce them to smallest
integer values.

❖ The three resulting indices, not separated by commas and enclosed in square brackets as
[uvw] will form the representation of the crystallographic direction.
𝑛 𝑥2 −𝑥1 𝑛 𝑦2 −𝑦1 𝑛 𝑧2 −𝑧1
❖ 𝑢= ,𝑣= ,𝑤=
𝑎 𝑏 𝑐
 Crystallographic Directions
❖ 𝑥1 = 𝑎, 𝑦1 = 0𝑏, 𝑧1 = 0𝑐
𝑐
❖ 𝑥2 = 0𝑎, 𝑦2 = 𝑏, 𝑧2 =
2
𝑐
❖ 𝑥2 − 𝑥1 = −𝑎, 𝑦2 − 𝑦1 = 𝑏, 𝑧2 − 𝑧1 =
2

𝑥2 −𝑥1
𝑢=2 = −2
𝑎

𝑦2 −𝑦1
𝑣=2 =2
𝑏

𝑧2 −𝑧1
𝑧=2 =1
𝑐

❖
 Crystallographic Directions
𝑧

[111]
❖ Draw [100], [110] and [111]
directions in a unit cell
𝑦
[110]
[100]

𝑥
 Crystallographic Directions
𝑧

❖ Determine the indices for the figure.

𝑥
x y z
Projections a/2 b 0
Projections in terms of (a, b and c) ½ 1 0
Reduction 1 2 0
Enclosure [120]
Crystallographic Directions: Negative Indices are also
possible

𝑥
 Crystallographic Directions

❖ For Crystal Structures, several non-parallel directions with

different indices are equivalent
❖ Spacing of atoms along each direction is same
❖ For cubic crystals:
❖ Equivalent directions are grouped into a family: <100>
❖ Equivalent without regard to order and sign

❖ The above conditions need not be true for other crystals (e.g., tetragonal)
Crystallographic directions in HCP
𝑧

𝑎2

𝑎1
Crystallographic directions in HCP
𝑧

❖ Problem with 3 index notation

❖ Some equivalent crystallographic
𝑎2 directions will not have the same set of
indices
❖

❖ No permutations possible for equivalent directions

𝑎1
 Crystallographic directions in HCP
𝑧

❖ The problem with 3 index notation

is circumvented by using a four-
axis or Miller-Bravais co-ordinate
system
❖ a1, a2 and a3 axes are all in one
𝑎2 plane (basal plane)
❖ Four directional indices [uvtw]
❖ First three digits: projections along axes
𝑎3 in the basal plane
❖ Fourth digit corresponds to projection
along z axis
𝑎1
 Crystallographic Directions (HCP)
❖ Conversion from three-index system to four-index
system
𝑧

𝑎2

𝑎3
[1 1 2ത 0]

𝑎1
[1 1ത 0 0]
 Crystallographic Directions (HCP)
𝑧
❖ Reduced-scale coordinate
axis system may be helpful
to plot crystallographic
directions in HCP
n
❖ The basal plane is discretized
in such a way that every
intersection of two axes is m
𝑎2
trisected by the other axis
❖ Also along z axis, m and n
are at 1/3 and 2/3 distance 𝑎3
from origin

𝑎1
 Example
1. Convert [111] direction in a hexagonal crystal to 4-index
notation.
2. Draw the direction in both the systems and show the
equivalence.
Conversion from 3 to 4 index
 Example Problem
𝑧

n
3-index notation: [1 1 1]
4-index notation: [1 1 2ത 3]
m
𝑎2

𝑎3

𝑎1
 Crystallographic Planes
❖ The orientation of planes is described similar to directions
❖ Except for hexagonal system, crystallographic planes are specified by three Miller
indices as (hkl)
❖ Any two parallel planes are equivalent and have identical indices
❖ How do we determine?
❖ If the plane passes through the selected origin, either another parallel plane must be constructed
within the unit cell by translation, or a new origin must be established
❖ At this point the plane either intersects or parallels each of the axes; the length of the intercept is
determined as a fraction of lattice parameters
❖ The reciprocals of these numbers are taken. A plane parallel to an axis is considered to be intersecting
at infinity
❖ Scale the indices to nearest integers (not always !)
❖ Collect them as (hkl)
 Crystallographic Planes

❖ (hkl) - Crystallographic Plane

❖ {hkl} - Family of crystallographic planes
❖ e.g. (hkl), (lhk), (khl), …..
❖ In the cubic system, planes having same indices,
regardless of the order or sign are equivalent
❖ Hexagonal crystals are expressed in four index system :
(hkil), where i = -(h+k)
 Crystallographic Planes
Determine Miller Indices of the plane shown below
z

O
c
y
a
b
x
 Crystallographic Planes
Determine Miller Indices
z
of the plane shown below
z’

O’ y

x
x’
Crystallographic Planes
z
z’

O
O’ y
x
x’
x y z
Intercept ∞𝑎 -b c/2
Intercept ∞ -1 1
fraction 2
Reciprocal 0 -1 2
Reduction No No No need
need need
 Crystallographic Plane
❖ Construct 0 2ത 1 plane
𝑧

𝑂 𝑦

𝑎
𝑏
𝑥
 Crystallographic Plane
❖ Construct 0 2ത 1 plane

•Remove the parenthesis

•Compute reciprocals to find the 𝑧
intercepts
•X intercept = 1/0 implies parallel to
x-axis
•Y-intercept = -1/2*b = -b/2 𝑐
𝑏
•Z-intercept = 1*c = c 𝑦
𝑂
𝑎
𝑏
𝑥
Crystallographic Planes (Hexagonal)
𝑧

𝑎1 𝑎2 𝑎3 𝑧
Indices 0 0 0 1
Reciprocal ∞ ∞ ∞ 1
𝑎2
s
intercept // //
Indices 1 0 -1 1// 1
𝑎3
Reciprocal 1 ∞ -1 1
s 𝑎1
 Crystallographic Planes (Hexagonal)
𝑧

𝑎1 𝑎2 𝑎3 𝑧
Indices -1 0 1 0
Reciprocals -1 ∞ 1 ∞ 𝑎2

intercept -1 // 1 //
𝑎3

𝑎1
 Crystallographic Planes (Hexagonal)
𝑧

𝑎1 𝑎2 𝑎3 𝑧
Intercepts 1 -1 ∞ 1
Reciprocals 1 -1 0 1 𝑎2

Indices 1 -1 0 1
𝑎3

𝑎1
 Crystallographic Planes (Hexagonal)
𝑧

𝑎1 𝑎2 𝑎3 𝑧
Intercepts -1/2 1 1 1/2
𝑎2
Reciprocals -2 1 1 2
Indices -2 1 1 2
𝑎3

𝑎1
 Crystallographic Equivalent Planes

Useful website: http://www.doitpoms.ac.uk/tlplib/miller_indices/lattice_draw.php

 Crystallographic Planes
[001]

(001)

In a cubic system, plane and direction with same indices are

orthogonal to each other
 Linear Density (LD)

x
R
y

x z
y
z
[110]

2 atoms 1
LD 110 = =
4𝑅 2R
 Planar Density (PD)

C
B
A B C A

D E F

F
E

D
Only 1/4 of A, C, D, F and 1/2 of B and E are available effectively and hence

2 atoms 1
PD(110) = =
8𝑅2 2 4𝑅2 2
 Linear and Planar Density

❖ The knowledge of linear and planar density is

important for understanding crystallographic slip
mechanisms (during deformation mechanisms!)
❖ For every crystal system, it is important to know the
densely packed crystal plane and crystal direction
❖ Check for BCC and FCC!
 Exercise
❖ What is the planar density of Cu on (111)
❖ Atomic radius of Copper is 0.128 nm

1/6

1/2
Face Centred Cubic Structure
Metals like Au, Cu, Al, Ag, Pb, Pt, and γ-Fe have FCC structure

(Source: Materials Science and Engineering, Callister & Rethwisch)

 Video on Crystal Structures

❖ https://www.youtube.com/watch?v=Rm-i1c7zr6Q
❖ https://www.youtube.com/watch?v=CsnNbuqxGTk
 FCC
❖ The coordination number is 12
❖ Each corner atom is shared by
eight unit cells
4R
❖ Each face atom is shared by
two unit cells
a
❖ Effectively there are
(8*(1/8)+6*(1/2) =) 4 atoms per
unit cells
❖ Atomic packing density is 74%
Body Centered Cubic Structure
Metals like Cr, W, α-Fe, δ-Fe, Mo, V, Na, Ta have BCC structure

BCC Structure and its unit cell

(Source: Materials Science and Engineering, Callister&Rethwisch)
 BCC
❖ Coordination Number (number of
nearest neighbours): 8
❖ Each corner atom is shared by eight
unit cells
❖ One centre atom
❖ Effectively there are 2 atoms per unit
cell (Source: Materials Science and Engineering, Callister & Rethwisch)

❖ Atomic packing density (ratio of volume

of atoms in unit cell to the volume of unit
cell) ~ 68%
 Hexagonal Closed Packed
Structure
Metals like Cd, Mg, Zn, α-Ti, α-Sn, Co, Be, Hf have HCP structure

HCP Structure and its unit cell

(http://www.ndt ed.org/EducationResources/CommunityCollege/Materials/Structure/metallic structures.htm )
 HCP

❖ Coordination number: 12
❖ Atomic packing density ~
74%

(Source: Materials Science and Engineering, Callister & Rethwisch)

Crystal structure of elements

BCC: 21; FCC: 27; HCP: 27

[..] are predicted
Source: wikipedia
 Theoretical Density

❖ Compute the
theoretical density
of Copper. The
atomic radius is g/mol
0.128 nm and
atomic weight is
63.5 gm/mol
Close Packed Structure

A A A A
B B B
C C C C
A A A A A
B B B B
C C C C C
A A A A A A
Close Packed Structure

B B B
C C C C

B B B B
C C C C C
Close Packed Structure

B B B
C C C C

B B B B
C C C C C
Vacant site Types in CCP

(Source: Materials Science and Engineering, Callister & Rethwisch)

Close Packed Crystal Structures

(Source: Materials Science and Engineering, Callister & Rethwisch)

Close Packed Crystal Structures

HCP Structure

(Source: Materials Science and Engineering, Callister & Rethwisch)

Close Packed Crystal Structures

(Source: Materials Science and Engineering, Callister & Rethwisch)

Close Packed Crystal Structures

FCC Structure

(Source: Materials Science and Engineering, Callister & Rethwisch)

 Stacking Faults and Stacking Fault Energy (SFE)

❖ A stacking fault is an irregularity in the packing sequence

of atoms in a crystal
❖ e.g., in FCC usual stacking is ABCABCABC…, but with a
stacking fault, it may be ABCBCABC…
❖ Energy associated with stacking fault is called stacking
fault energy (SFE)
❖ High SFE (narrow SF) materials deform by dislocation
glide (aluminium: 160-200 J/m2)
❖ Low SFE materials (wider SF) deform by twinning (copper:
70-80 J/m2)
For more information: https://en.wikipedia.org/wiki/Stacking-fault_energy
 Crystalline and Non-crystalline
Materials
❖ Single Crystals
❖ Semiconductors (single crystal silicon etc) for
microelectronics
❖ High strength materials with low thermal creep, e.g.
turbine blades*
❖ Single crystal copper has better conductivity than
polycrystalline copper
❖ Single crystal Sapphire for lasers
 Crystalline and Noncrystalline
Materials

❖ Polycrystalline Materials
❖ Most crystalline solids
are collection of many
small crystals or
grains
❖ Grain Boundary

(Source: Materials Science and Engineering, Callister & Rethwisch)

 Crystalline and Noncrystalline
Materials
❖ Anisotropy
❖ Physical properties of
single crystals might
depend on crystallographic
orientation (Source: Materials Science and Engineering, Callister & Rethwisch)

❖ For polycrystals (with no

texture) this variation
averages out and may
behave as isotropic
 X-Ray Diffraction
❖ Used for determining crystal structures
 X-Ray Diffraction

❖ Diffraction occurs when a wave

❖ hits regularly spaced obstacles and
❖ the spacing is the same order as wavelength of
incident wave and
❖ obstacle is capable of scattering
❖ Diffraction is a consequence of phase relations between
the scattered waves
X-Ray Diffraction (Two
Extremes)

In-Phase

Out of Phase

(Source: Materials Science and Engineering, Callister & Rethwisch)

 X-Ray Diffraction

(Source: Materials Science and Engineering, Callister & Rethwisch)

Constructive interference of waves (1 & 2) scattered by P and

Q will happen if the path length difference (SQ+QT) is an
integer multiple of wavelength.
(Source: Materials Science and Engineering, Callister & Rethwisch)
 X-Ray Diffraction

(Source: Materials Science and Engineering, Callister & Rethwisch)

Constructive interference of
waves scattered by P and Q will
happen if the path length
difference (SQ+QT) is an integer
multiple of wavelength.
(Source: Materials Science and Engineering, Callister & Rethwisch)
 X-Ray Diffraction
William Lawrence Bragg William Henry Bragg

Source: http://en.wikipedia.org/wiki/braggs_law

❖ Nobel Prize in 1915 for determining crystal structures

❖ Only Father-Son duo to win a nobel prize
❖ Lawrence Bragg is the youngest Nobel Laureate (25 years when awarded) in science
❖ Do you know other famous father-son duo scientists?
 X-Ray Diffraction

❖ For Cubic Crystal System

❖ a is the lattice spacing (lattice constant)
❖ h, k and l are miller indices of the Bragg plane
❖ Further
X- Ray Diffraction
 Diffraction Techniques
Diffractormeter

❖ Powdered Samples
❖ Each powder particle is a crystal
❖ Random Orientation
❖ Every possible plane is available
for diffraction
❖ Diffractometer determines
angles at which diffraction
occurs
❖ Carriage (C) and specimen (S) (Source: Materials Science and Engineering, Callister & Rethwisch)

are mechanically coupled T: X-Ray Source

S: Specimen
C: Detector
O: Axis of rotation of the specimen and detector
 X-Ray Diffraction
❖ Diffraction pattern of polycrystalline α-iron

(Source: Materials Science and Engineering, Callister & Rethwisch)

 X-Ray Diffraction
For BCC iron, compute
(a)the interplanar spacing
(b)the diffraction angle for the (220) set of planes
(c)The lattice parameter for Fe is 0.2866 nm. Assume a
monochromatic wavelength of 0.1790 nm and order of reflection
is 1.

The diffraction angle is 2\theta = 124.26o

 References

❖ Materials Science and Engineering: An Introduction by

William D. Callister
❖ http://chemed.chem.purdue.edu/genchem/topicreview/
bp/ch13/unitcell.php
❖ www.en.wikipedia.org