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Indian Institute of Technology Roorkee

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Nano-Mechanics
Classical Mechanics Assumptions
Material mechanical properties
Nano scale Thermal Phenomena
Basics of Heat Transfer
Thermal Conductivity
Heat Transfer Coefficients

Outline of the Presentation
Indian Institute of Technology Roorkee

Classical theories
Structure Property relations
Stress-strain relations
Mechanical properties
Issues in Nanomechanics
Mechanics of Nanotubes

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Indian Institute of Technology Roorkee

Smallest material element has macroscopic
properties
Solid is assumed as homogeneous
Involves only mechanical forces such as inertia,
gravity and friction
Motion is uniquely determined by forces -give by
Newton s law of motion
Total Energy = Internal Energy + Kinetic Energy
+ Potential Energy
Single phase no phase transformation
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Mechanical Behavior of Materials:
Materials response to applied and residual forces
Deformation:
When a material is subjected forces, its atoms may be
displaced from their equilibrium position.
Any separation of displacement from the equilibrium position
requires energy, which is supplied by the force.
- As a material is stretched, atoms tend to separate and
brings attractive forces into play.
- As a material is compressed, atoms tend to come together
and causes repulsion
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Elastic Deformation: Atoms resumes back to the original
position when imposed forces are released represents the
relative resilience of the materials.

Plastic Deformation: When a material exceeds the elastic
capability (elastic limit) to restore back to equilibrium position
as the imposed forces are released - the deformation is
permanent


Engineering Strain:
It is the deformation
defined as the ratio of
the dimensional change
to the original
dimension.

l
l l A +
l
l A
= c
Extensional Strain
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Shear Strain:
This is the deformation of a material between two parallel
plane through a certain angle when subjected to tangential or
shear forces.
Shear strain is defined as the displacement to the distance
between the planes:

x
h
u
Shear Force
u tan = =
h
x
Poissons Ratio
Defined as the ratio of strain in
x-direction to the strain in y-
direction and expressed as
y
x
c
c
= v

P P
x A
y A
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Stress:
Stress is the internal response or resistance that a
material creates when exposed to some kind of external
force.
This internal resistance is due to the inter-atomic
attractive and repulsive forces.
Displacement in either direction produces an increase in
the force (tensile or Compression) that oppose the
deformation

F F

F o
A
F
= o
Defined based on balance of
external force with the
internal resistance force as
Where
= Average stress (Internal
resistance force per unit area)
F = External load or force
A = Cross-sectional area over which
the force acts
o
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Hookess Law ( Macroscopic Constitutive Relation
or Stress-strain relation)
Defines the proportional relation between the
stress and strain for material below the elastic
limit as
Where E = Modulus of Elasticity (Youngs Modulus)

c = o E
Elastic modulus (E) is a measure of the stiffness of the
engineering material
Greater the values of E results in a smaller elastic strains
smaller the response of the material structure to imposed load
Important parameter for the design and analysis in the estimation
of allowable displacements and deflection of a component or
structure
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Modulus of Rigidity (G)

The modulus of rigidity is the modulus of
elasticity in shear (Relation between shear
stress and shear strain) and defined as


Values of G is usually determined by torsion
testing and related to E by the relation


= t G
) 1 ( 2
E
G
v +
=
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Yield Strength (Point-C)
Stress required to
produce a small amount
of plastic deformation
Ultimate Strength
( Point D)
Maximum stress that a
material can withstand
under the condition of
uniaxial loading
Undergone substantial
plastic deformation
Not often used for
designing a component
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Steel
Titanium
m
Aluminum
Many materials are not
strength limited, but
modulus limited
In some applications,
we need material of
high modulus of
elasticity rather than
high strength
These structure may
not fail if low modulus
of elasticity is used
It, however, may reach
too much of deflection
Higher the modulus of elasticity
lower is the deformation
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Material Elastic Shear Tension Poissons ratio
Modulus (E) Modulus Yield
(GPa) (GPa) (MPa)

Aluminum
Alloy 72.4 27.6 504 0.31

Steel-
Low Carbon 207.0 75.9 140 0.33

SS -304 193.2 65.6 960-1450 0.28

Titanium 110.5 44.8 1035 0.31

Silicon Carbide 469.2

Polycarbonate 3.4

SWNT 0.191(TPa) 0.45 TPa 0.18


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Macro mechanics:

atoms 10
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Stress

Strain
Area/volume
Force, stress
balance/equilibrium
Constitutive relation:
Hooks law
Classical
thermodynamics

Micromechanics
Scale:
m 10
3
>

atoms 10
11
Scale:
m 10
6
>
Structure
Interface
Adhesion
Phases
Force/surface energy
balance
Constitutive relation:
nonlinear
Structure property
relation
Adhesion & friction laws
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Nano mechanics:

atoms 10
2
Molecule
Atoms
Quantum
energies
Scale:
m 10
9
>
Force/energy/structure
balance
Constitutive relation: ??
Molecular mechanics
effects
Structure property
relation: ??
Energies are linked

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Nano Macro

Inter-molecular Strength
interaction

Bond rotation/ Modulus
angle/strength

Chemical sequence Viscosity/conductivity
Nanotube diameter/ density/toughness/
Nanotube l/d ratio dielectric/plasticity
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Average of material properties:
- Surface effects Vs volume average
- Molecular network homogenization
- Electromechanical interactions
Nano-scale laws
- Application of classical mechanics law
- New and coupling forces
- Properties/energy depend on molecular
structure
- Role of quantum effects
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Nanomechanics vs. molecular mechanics
Structure property relations and
dependencies
Scaling analysis of molecuar structures
Reliability of characterization techniques at
nano-scale what are to be measured?
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Nano-Materials
Science
Nano-tubes purity
Characterization of
NTs
NT polymer
properties
Multifunctional
composites
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Approaches- Top down
-Continuum models fro
NTs
-Strain gradient
-Lattice structure
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Development of constitutive laws fro nano-scale
- modeling of nano-structural behaviors
Average nano-constitutive laws for use higher
scale model
Models for nano-structure/force potentials to take
into account of multi-scale model
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Nanotechnology Modeling Methods
Quantum Mechanics
Atomistic Simulations
Molecular mechanics and Dynamics
- Nano-mechanics
Indian Institute of Technology Roorkee
Atomic Force Microscopy (AFM)
Magnetic Force Microscopy (MFM)
- Scanning Electron Microscopy (SEM)
- Transmission Electron Microscopy (TEM)
- Scanning Tunnel Microscopy (STM)
Raman (IR) Spectroscopy
Electron Nano-Diffraction
Neutron Scattering
Electron Spin Resonance (ESR)
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Physical Material Mechanical
Thermal Density Stiffness
Optical Crystallinity Strength
Electronic Crosslink density Fracture toughness
Magnetic Orientation Fatigue
Chemical Textures Durability
Acoustic Absorption Viscoelastic
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The structure of single wall nanotubes (SWNTs)
- Molecules or crystals
- Effective geometry
- Length scales
- Geometric parameters
Properties of Carbon nanotubes
- Thermal and electrical conductivities
- Density
- Mechanical properties such as modulus, strength
- Effect of geometry and molecular structure
- Classes of NTs
Deformation of NTs
- Tension, compression, torsion
- Nonlinear elastic and plastic deformation
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Nanotubes Density and Thermal Conductivity
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Classical theories
Thermal energy transport in a solid by
two primary mechanisms:
- Excitation of the free electrons
- Lattice vibration or phonons
Scattering phenomena in micro and
nanoscale heat transfer


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Heat transfer is thermal
energy in transit as a result of
a spatial temperature
difference.

Temperature at a point is
defined by the energy
associated with random
molecular motions such as
translational, rotational and
vibrational motions.

Basic Modes and
Transport Rate Equation

Conduction Heat
Transfer
This mode is primarily
important for heat transfer in
solid and stationary fluid

Conduction heat transfer is
due to the activity in atomic
and molecular level

L
T
q
H
T

Indian Institute of Technology Roorkee
Gas: Energy transfer due to random
molecular motion and collision with
each other

Liquid: Molecular interactions are
more stronger and more frequent
resulting in an enhanced energy
transfer than in a gas

Solid: Energy transfer due to the
Lattice vibration and waves induced
by the atoms.
- In a electrical nonconductor, the
energy transfer is entirely due to
lattice waves.
- In a electrical conductor it also due to
the translational motion of the free
electrons.
dx
dT
kA q =
dx
dT
/ ) A / q ( k =
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Conduction Rate Equation:
Where q = Heat flow per
unit area per unit time or
heat flux,
k is the thermal conductivity
of the material defined as

Fouriers law:
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C m
W
o
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Macroscopic Thermal Conductivity Values of
Substance Type Density Thermal Conductivity
Gases:
Air: 0.026
Liquid
Water 0.63
Ethylene Glycol 0.25
Solid
Aluminum 2702 237
Copper 8930 401
Gold 19300 317
Carbon Steel 7850 60.5
SS 304 7900 14.9
Carbon
Amorphous 1950 1.6
Diamond 3500 2300
Silicon Carbide 3160 490
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Convection Heat Transfer
The convection heat transfer occurs between a moving
fluid and an exposed solid surface.




The fluid upstream
temperature and velocity
are and respectively.
y
x
Hydrodynamic
Boundary layer

Thermal
Boundary
layer
Convection Modes:
Natural Convection:
Flow induced by natural
forces such as buoyancy
Forced: Flow induced
by mechanical means such
as fan, blower or pump.
Phase Change: Boiling
or condensation- Bubble
formations and collapses

T

u

u
S
T
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Convection Rate Equation:
Newtons Law Cooling
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) T T ( A h q
S c c
=
Where, hc is called the convection
heat transfer coefficient or film
coefficient.
Convection heat transfer
coefficients is defined as
) T T (
A / q
h
S
c
c

=
0 y
f
y
T
A k
=
c
c
=
Convection heat transfer coefficients are influenced by the
velocity field and temperature field in the boundary layers.
This depends on fluid types and properties, solid surface
geometry and orientations.
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Convection Types Typical Values ( )
Free Convection
Gases 2-30
Liquids 50-1000
Forced Convection
Gases 30 300
Liquids 100 15000
Phase Change
Boiling or Condensation 2500 100,000
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C m
W
o 2
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oHeat conduction in the micro-nanometer scale is becoming
more important because of the increasing demand of
cooling requirements in smaller devices with increasingly
higher heat fluxes such as in electronic devices, circuits
and chips

oThe main difficulty with the simulation of heat flow through
thin films is that bulk material properties are not accurate
when applied on the small scale

oThe understanding of the mechanism of thermal energy
transfer by conduction in thin films ranging in thicknesses
from micro-scale to nano-scale is becoming very important.

oThin films should be modeled at the atomic level and this
entails treating the heat transfer as energy transferred by
the vibrations in a crystal lattice.
o
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Phonon Phonon interaction
Electron Electron interaction
Phonon Electron interaction

In most pure metals, the electron electron
interaction is the dominant scattering process
and the conduction of heat by phonon is
negligible

In dielectric crystalline solid, the phonon
phonon interaction is the dominant scattering
process and heat conduction by free electron
is negligible.
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The vibration of a crystal structure can be modeled with the
concept of phonons, which is described as the quanta of lattice
vibration energy.

The distribution of phonons represents the distribution of
crystal energy. Heat transmission takes place as the
distribution of phonons changes.

When a temperature gradient is setup in the material a steady
state distribution of phonons can be kept.

Thermal conductivity therefore depends on the extent by which
a distribution deviates from equilibrium for a given
temperature gradient.

The distribution of phonons is modeled by the Boltzmann
transport equation
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Used for enhanced conduction heat
spreaders in electronic chips, devices and
circuits. Use of dielectric thin films of
diamond or nitrides

Used as filler materials (SWNTs) between
two material surfaces in contact
Reduces resistance to heat transfer
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Nanofluids are engineered colloid formed with stable
suspensions of solid nano-particles in traditional base liquids.
- Thermal conductivity of solids are order of magnitude higher
than liquids.
- Use of macro or micro-size particle can not form stable
suspensions
Base fluids: Water, organic fluids, Glycol, oil, lubricants and
other fluids
Nanoparticle materials:
- Metal Oxides: Al203, Zr02, SiO2, Fe3O4)
- Stable metals: Au, cu
- Nitrides: AIN, SIN
- Carbon: carbon Nano-tubes (SWNTs, MWNTs),
diamond, graphite, fullerene, Amorphous Carbon
- Polymers : Teflon
Nanoparticle size: 1-100 nm
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NEMS technology enables creation of
ultra small and highly sensitive
sensors for various applications
The NEMS force sensor shown in the
figure is applicable in pathogenic
bacteria detection
A NEMS bacteria sensor
Nano Lett., 2006, DOI: 10.1021/nl060275y
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Currently available microprocessors
use resolutions as small as 32 nm
Houses up to a billion transistors in
a single chip
MEMS based nano-chips have
future capability of 2 nm cell leading
to 1TB memory per chip
A MEMS based nano-chip
Nano-chip Inc., 2006
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Stability in dispersion of nanoparticles in base fluid :-
- Nanoparticles can stay suspended for a longer period of
time
- Sustained suspension is achieved by using
surfactants/stabilizers
- Surface area per unit volume is much higher for
nanoparticles
Forming a homogeneous mixture of nanoparticles in base
fluid
Reduce agglomeration of nanoparticles and formation of
bigger articles.
Sedimentation over a period of time.

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Thermal conductivity enhancement
- Reported breakthrough in substantially increase ( 20-
30%) in thermal conductivity of fluid by adding very
small amounts (3-4%) of suspended metallic or metallic
oxides or nanotubes.

Convective heat transfer enhancement

Critical Heat Flux enhancement (CHF)
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Shows increase in effective thermal
conductivity of nanofluid with an
increase in temperature and CNT
concentration.
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Energy transport due to mixing effect of
Brownian motion of nanoparticles
Formation of liquid molecule layer around
nanoaprticles, enhancing local ordering (Phonon
energy transport)
Balastic transport in nanoparticles Balastic
phonon initated by a nanoparticle transmits
through fluid to other nanoparticles
Possibility of formations of clusters of
nanoparticles
Micro convection and turbulence formed due
to nanoparticle concentration and motion.
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Boiling is considered as convection which occurs
at solid-liquid interface.
In the case of boiling fluid phase changes from
liquid to vapor through rapid formation of bubbles
and subsequent collapse in the bulk fluid.
- This causes heat transfer from solid heating
surface
surface.
- Fluid temperature remains constant
Latent heat contributes to the heat transfer
Surface roughness influences critical heat flux.
- Critical heat flux can be enhanced by
roughening surface.


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Experiment with
nanofluid (suspending
alumina nanoparticles in
distilled water) indicate
increase in critical heat
flux by 200% in
comparison to pure
water.
The nucleate boiling
heat transfer coefficients
remain almost the same.
Indian Institute of Technology Roorkee
Pool boiling heat transfer tests with nanfluids containing
alumina, zirconia and silica nanoparticles show increased
critical heat flux values

Nanoparticles settles and forms porous layer of heat surface
- Surface wettability increases
- Show increased contact angle on nanofluid boiled surface
compared to pure water boiled surface.

Helps formation of bubbles at boiling surfaces

Boiling heat transfer is increased mainly due to the formation
of nanoparticle coating on heating surface.
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Energy conversion and energy storage
system
Electronics cooling techniques
Thermal management of fuel cell energy
systems
Nuclear reactor coolants
Combustion engine coolants
Super conducting magnets
Biological systems and biomedicine
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Fuel
Diesel
Engine
Radiator
Engine
water
Cooling
system
Air
Heat Rejection
to Atmosphere

Fuel
Diesel
Engine
Heat
Exchanger
Air
Engine water
Cooling loop
Air Pre-heater
Nano-fluid
loop

Selection potential nanofluids as coolant
Develop correlations for heat transfer coefficients and
pressure drop
Development of radiator, heat exchanger and air-
pre-heater using nanofluids.

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