Molecular Dynamic Based Study on Heat Transfer

Through Nanoscale Heat Pipes for Efficient Heat

Removal from Advanced Electronic Devices

Presented by
Mr. Rajesh Kumar Goswami
(Roll No: 17MM4110)
Under the guidance of
Dr. Madan Mohan Ghosh
Associate Professor and Head
Metallurgical and Materials Engineering Department
National Institute of Technology, Durgapur
 Content
• Introduction
• Working principle
• Application
• Objective
• Literature review
• Steps
• Methodology of model simulation
• Summery
• Future plan
• References
 HEAT PIPE
Heat pipes are heat transfer devices . They are
hollow cylindrical pipes filled with small
amount of fluid that evaporates to produce heat.

Heat pipes are referred to as the

superconductors of heat due to their fast
transfer capability with low heat loss.
 Working principle
Heat pipes employ evaporative
cooling to transfer thermal energy
from one point to another by the
evaporation and condensation
of a working fluid or coolant.

pressure difference drives

a rapid mass transfer to the
condensing end where the excess
vapour condenses, releases its latent heat, and warms the cool
end of the pipe.
 Components of Heat Pipe
• Container
• Working fluid
• Wick or Capillary structure
 Wick structure
1. It is a porous structure made of materials like Steel , alumunium , nickel or
copper in various ranges of pore sizes.
2. The prime purpose of the wick is to generate capillary pressure to transport
the working fluid from the condenser to the evaporator.
3. It must also be able to distribute the liquid around the evaporator section
to any area where heat is likely to be received.
Applications
 Objective
Design of nano scale heat
pipe

Heat pipe with Heat pipe of different Heat pipe with

constant hot end volume ,thickness constant heat flux
temperature ,and temperature to hot end

Analysis of obtain result

Design of Nano heat

pipe with water as
working fluid
 Literature review
AUTHER NAME LITERATURE ON

Gisuk Hwang et They employ “the heat pipe “ like structure in nano scale
al (Nov 2016) with a post wall ,to promote the fluid return to hot
surface for enhanced heat transfer so called nano heat
pipe.

A.K.M.M. et Molecular dynamics simulations have been employed

al (2011) to investigate the boiling phenomena of thin liquid
films adsorbed on a nanostructured solid surface. The
molecular system was comprised of the following: solid
platinum wall, liquid argon, and argon vapours : a
molecular dynamics study.

Yujie Chen et In this paper, the bubble nucleation of ultra-thin liquid

Al (2017) argon film on a platinum surface is studied by molecular
dynamics simulation. In the simulations, the liquid is
heated by the middle part and cooled by the two sides of
the platinum surface
 Contd….
Md moulod etal They had designed the nano scale heat pipe employing
the gas-filled nanostructure, while transferring heat via
ballistic fluid-particle motions with a possible returning
working fluid via surface diffusions along the nano
structure.T he predicted results show that the
maximum heat flux through the gas-filled nanostructure
(heat pipe) nearly doubles that of the nano gap without
the post wall at 100 < T < 140 K.

C Y Ji et al They studied the liquid-vapour-solid system near triple-

phase contact line in a micro channel heat sink is
studied numerically. Molecular dynamics (MD) method
is employed aiming to get a microscopic insight into the
complex liquid-vapour-solid system The results of
numerical simulation suggest that for a complete
wetting system, such as argon on a platinum substrate,
there is a non-evaporating liquid film with thickness in
nanometres existing on the heating solid surface.
 Steps
LITERATURE SURVEY

GEOMETRY DEFINE

PROGRAMMING USING LAMMPS

RUNNING THE PROGRAMME WITH NIST

POTENTIAL

VISUALISATION OF PROGRAMME THROUGH

OVITO

ANALYSIS OF PROGRAMME
 METHODOLOGY
Dimension
Initialization Units
Atom style

Boundary
Create atom Lattice
Region

Interatomic potential Hybrid eam

Full system partwise

Equilibration After equlibration

Calculate pe ke te vapour
temp drop temp hot and
cold ttemp flux
MD SIMULATION
Heat pipe with constant hot end
temperature
Heat pipe with constant hot end
temperature
Keff =0.03764 W/mK
Heat pipe with constant heat flux
Heat pipe with constant heat flux

step K eff
(W/m k)

1050000 0.04
1100000 0.0373
1150000 0.03459
760 PS 1200000 0.03255
1020PS
 WHEN DIFFERENT THICKNESS OF ARGON IS USED

THICKNESS TEMPERATURE VAPOUR Keff

(𝑨𝟎 ) (HOT END IN K) PRESSURE(Bar)
(W/mK)

10 135 1794 9.98×10−5

20 135 1828.46 0.0064

40 135 2061 0.0489

60 135 2444 0.0580

 WHEN DIFFERENT VOLUME HEAT PIPE USED

THICKNESS TEMPERATURE VOLUME VAPOUR Keff

(𝑨𝟎 ) (HOT END IN K) 𝑨𝟎
𝟑 PRESSURE(Ba (W/mK)
r)

20 135 339*50*50 1375.66 0.0606

20 135 389*50*50 1216.77 0.0595

20 135 439*50*50 1091.61 0.0571

20 135 539*50*50 913 0.0548

Heat Pipe With Water As A Working
Fluid
Heat pipe with water as working fluid
 CONTD..

THICKNESS OF TEMPERATURE VAPOUR Keff

WATER (HOT END IN K) PRESSURE(Bar) (W/mK)
(𝑨𝟎 )

21.31 400 29414 3.6

 Conclusion
COMPARISION OF RESULTS
VARIABLE CONST CONST HEAT WATER AS
HOT END FLUX WORKING
TEMP FLUID

Keff 0.035 .04 3.6

(W/mK)

vapour 1837.5 2061 29414

pressure(Bar)

• The effective thermal conductivity of heat pipe is depends upon vapour pressure, temperature,
working fluid.
• With increase in volume of heat pipe thermal conductivity is decreasing and pressure is also
decreasing
• With increase in thickness of working fluid thermal conductivity is increasing
• There is no thermal conductivity without any working fluid
• With the use of water as the working fluid there is great increase in the thermal conductivity .The
obtained thermal conductivity is higher than the thermal conductivity of water
 FUTURE SCOPE
In recent paper single fluid used as working media in different type of heat pipes. In
future aspect two or more fluids will be using as working media in different heat pipes
and determine the effect of thermal performance of two or more nano fluids i.e.
hybrid nano fluids used on different concentration and different inclination angle of
heat pipes.

It is also a hot spot for future research and the impacts of various operating
parameters, such as the operating temperature, the heat flux and the ambient
temperature on the heat transfer enhancement of nano fluids in heat pipes.
 References
[1] Mohammad Moulod et al, Nano heat pipe - Nano heat pipe nonequilibrium molecular dynamic simulation

[2] C Y Ji et al A molecular dynamics simulation of liquid-vapour-solid system near triple-phase contact line of flow boiling in a
microchannel

[3] Elnaz Norouzi et al Nanoscale heat pipe using surface-diffusion-driven condensate return
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