Nanostructures L1-3 2024

A crystal may be defined as a solid composed of atoms arranged
in a pattern periodic in three dimensions.
Lattice is regarded as a sort of framework or skeleton on which

the actual crystal is built up..
A point lattice, is defined as an array of points in space so

arranged that each point has identical surroundings.
The smallest representative unit of crystal is unit cell.

A unit Cell
A point lattice
The unit cell may be described in terms of their lengths (a, b, c) and the angles between them
(α, β, γ). These lengths and angles are the lattice constants or lattice parameters of the unit cell.
Melting and casting
Critical Radius
size
Source: https://benbest.com/cryonics/lessons.html
a) Nucleation of crystals, b) crystal growth, c) irregular grains form as crystals grow
together, d) grain boundaries as seen in a microscope.
Source : https://www.nde-ed.org/EducationResources/CommunityCollege/Materials/Structure/solidification.htm
Source : Phys. Chem. Chem. Phys., 2015,17, 21894-21901, Matthew Becton et.al
Microstructure of 316L Stainless steel
Representative 2D and 3D microstructure of a polycrystalline material
Source: Pierre Hirel Comp phys and comm vol 197, Dec2015, Pg 212-219
Grain Boundaries
 A grain boundary is a planar defect that separates different crystal
(grains) within a polycrystalline solid
 The atoms in the grain boundary is in disordered arrangement since
they arise due to the uneven growth during crystallization. Several
unit cells form a crystal, if many crystal are growing simultaneously
in a melt, where they meet, grain boundary is formed.
 Grain sizes may vary from few nanometers to ~1mm
Grain boundaries are 2D defects in the

polycrystalline structure, and it tend to
decrease the electrical and thermal
conductivity and also cast its effect on the
mechanical properties of the material.
Imagine that each grain (crystallite) to have separate lattice orientation
and is represented by a cube.
The physical properties (mechanical, electrical,

magnetic and optical )depend on the grain size
crystal geometry and also the orientation of the
crystallites(grains).
Density and specific heat capacity are

independent of direction
Rolling
Forging
Source: https://www.scotforge.com/Why-Forging/Forging-101
What are Nanocrystalline materials?
Single phase or multi-phase polycrystals, the

crystal size of which is few nanometers
(typically 1 to 100 nm) in at least one dimension.
Surface of a polycrystalline material
3D microstructure of a polycrystalline material

GB
Lattice atoms Triple junctions
Two types of atoms can be distinguished

(a) Atoms with nearest neighbour configuration corresponding to
the lattice.
(b) Boundary atoms with a variety of interatomic spacing differing
from boundary to boundary.
• Nanocrystalline material contains typically a high
number of interfaces (~ 6 X 1025/m3) with random
orientations..
orientations
• A substantial fraction of atoms lies in the interfaces
interfaces..
• Total intercrystalline regions consist of grain
boundaries and triple junctions
junctions..
• Triple junctions are more important than the grain
boundaries..
boundaries
Assuming grains are either spherical or cubical in
shape
The volume fraction of nanocrystalline materials
associated with the grain boundaries
3Δ/d
C= 3Δ Δ = average grain boundary thickness
d = average grain diameter
Grains are considered to have regular fourteen sided tetrakaideca-
tetrakaideca-
hedron shapes
Hexagonal faces : Grain boundaries
Edges: Triple junctions
Diameter of an inscribed sphere : Grain size “d”
“Δ/2”.
Outer skin : intercrystalline component “Δ
The intercrystalline volume fraction: Vic = 1- [d-- Δ/d]3

1- [d
[3Δ(d
Grain boundary component : Vgb = [3Δ (d-- Δ)2]/d3
Triple junctions : Vij = Vic – Vgb
All equations are valid for d> Δ

The volume fraction of atoms at the grain boundaries can be computed as
50% for 5 nm grains
30% for 10 nm grains
3% for 100 nm grains
The special properties of the nanocrystalline materials are

attributed to the large number of atoms present at the grain
boundaries
Characterization
Nanocrystalline materials are characterized on the basis of
1. Grain size distribution and morphology.
2. Grain boundaries and interphase interfaces.
3. Nature of intergrain defects.
4. Composition profiles across grains and interfaces.
5. Presence of residual trapped species.
6. Thickness and coherency of interfaces in case of layered

nanostructure.
Experimental techniques
Direct microscopic techniques
Transmission electron microscopy

• Scanning tunneling microscopy
• Field ion microscopy
Indirect techniques
• X-ray diffraction
• Neutron diffraction
• Positron annihilation
• Mossbauer spectroscopy
HRTEM image showing the various interfacial
image features in nanocrystalline palladium.

Nanostructures L1-3 2024

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A crystal may be defined as a solid composed of atoms arranged

in a pattern periodic in three dimensions.

Lattice is regarded as a sort of framework or skeleton on which

A point lattice, is defined as an array of points in space so

The smallest representative unit of crystal is unit cell.

Grain boundaries are 2D defects in the

The physical properties (mechanical, electrical,

Density and specific heat capacity are

Single phase or multi-phase polycrystals, the

3D microstructure of a polycrystalline material

Lattice atoms Triple junctions

Two types of atoms can be distinguished

The intercrystalline volume fraction: Vic = 1- [d-- Δ/d]3

All equations are valid for d> Δ

50% for 5 nm grains

30% for 10 nm grains

3% for 100 nm grains

The special properties of the nanocrystalline materials are

Nanocrystalline materials are characterized on the basis of

1. Grain size distribution and morphology.

2. Grain boundaries and interphase interfaces.

3. Nature of intergrain defects.

4. Composition profiles across grains and interfaces.

5. Presence of residual trapped species.

6. Thickness and coherency of interfaces in case of layered

Direct microscopic techniques

Transmission electron microscopy

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