Simulation and Study of
Heat Transfer
Keerthana P. G.
Why should we study heat transfer?
 Insulation and radiant barriers
 Heat exchangers
used in refrigeration, air conditioning, space heating, power generation, and chemical
processing.
 Heat sinks also help to cool electronic and optoelectronic devices such as
CPUs, higher-power lasers, and light-emitting diodes (LEDs).
 In order to understand these materials and their uses, it is necessary to
understand their mechanical properties such as stress coefficients, thermal
conductivity etc.
 Our project is an attempt to verify several theoretical predictions made
regarding Hard Sphere models in 1D system
What this is all about.
 To simulate heat conduction in a 1-dimensional chain with different atoms to
verify theoretical predictions
 To study one dimensional heat conduction and verify its properties.
 The long term objective is to study heat transfer and investigate the
influence of the working fluid on a finite time Carnot’s Engine.
Isolated 3d system
 FCC lattice of 4*8*8*8 argon atoms
 Defining the lattice
 Initialising positions and momenta of all atoms.
 Positions by forced initialisation
 Velocities using Marsaglia Bray method.
.
Algorithm
 Forces calculation from lennard jones potential
 Periodic Boundary Condition with minimum image condition
 Velocity verlet algorithm to update forces and positions
Stabilization
Heat Conduction in 1D Chain of Atoms
 N particles in a 1D box of length L
 Forced position initialisation.
 Velocity from Maxwell-Boltzmann distribution in compliance with the initial
system temperature.
 The left and right hand walls are kept at two different temperatures, in our
case, 8K and 2K respectively.
 Atoms have a small but finite radius.
 Interactions:
1. Particle-particle interactions by hard collisions. We assume that all
interactions are elastic.
2. Interaction with the wall: The atoms at the end, upon hitting the wall
bound back with a velocity sampled from Rayleigh distribution.
Here, TL is the temperature of the wall from which the atom is bounding back.
 Local temperatures are calculated according the expression described.
 Temperature profile is obtained at steady state.
 BBGKY(Boboligov-Born-Green-Kirkwood-Yvon) Equations to model the system.
Theoretical Prediction
 Surprisingly, the temperature profiles in the case of equal masses and the one
with arbitrarily small mass differences completely different.
 But energy density is constant in space at steady state. Seemingly
contradicting.
 Temperature profile doesn’t change under m(i)-->c*m(i)
 Also, from the boundary conditions, it can be verified that T(cT1, cT2,
x)=cT(T1, T2, x)
Explanation: Temperature also depends on n(x), i.e. the local number
density.
T(x,t)= 2 ε(x,t)/n(x,t)
1D system(with 1 particle type)
 N particles of same mass in a 1D box of length L
 Collisions are assumed to be elastic.
 Initialisation is done at a certain temperature,the left and right hand walls
are kept at 3K and 2K respectively.
 Temperature is calculated for every individual atom and a temperature
profile is obtained.
Temperature profile
 Theoritical prediction says that the temperature profile will be flat with
themperature 𝑇1 𝑇2 .Here is the simulated temperature profile
Energy profile
1D system with Particles of Alternating
Mass
 N particles in a tube of length L. Alternate particles have alternate masses.
 The ratio of masses (m1/m2) is varied to get different temperature profiles.
 Once again we assume elastic collisions.
Temperature profile
Expected profile
Observations:
 Temperature has a smooth and continuously varying profile with jumps at the
boundaries that tend to smoothen with increase in system size.
 For small =(𝑚2 − 𝑚1)/𝑚1 and large N , the temperature profile depends on
and only by a scaling factor of
Energy Profile
The energy density profile here is supposed to be the same as the
profile for a same mass system
The Way Forward
 Study of the effects of working fluid on the performance of a finite time
Carnot’s cycle.
Acknowlegments:
 Physics Review Letter, 2001, Heat Conduction in a One-Dimensional Gas of
Elastically Colliding Particles of Unequal Mass, Abhishek Dhar, Raman Research
Institute, Bangalore
 Research Article, 2008, Heat Transfer in Low Dimensional systems, Abhishek
Dhar, Raman Research Institute, Bangalore
Thank You

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Simulation of One Dimensional Heat Transfer

  • 1. Simulation and Study of Heat Transfer Keerthana P. G.
  • 2. Why should we study heat transfer?  Insulation and radiant barriers  Heat exchangers used in refrigeration, air conditioning, space heating, power generation, and chemical processing.  Heat sinks also help to cool electronic and optoelectronic devices such as CPUs, higher-power lasers, and light-emitting diodes (LEDs).  In order to understand these materials and their uses, it is necessary to understand their mechanical properties such as stress coefficients, thermal conductivity etc.  Our project is an attempt to verify several theoretical predictions made regarding Hard Sphere models in 1D system
  • 3. What this is all about.  To simulate heat conduction in a 1-dimensional chain with different atoms to verify theoretical predictions  To study one dimensional heat conduction and verify its properties.  The long term objective is to study heat transfer and investigate the influence of the working fluid on a finite time Carnot’s Engine.
  • 4. Isolated 3d system  FCC lattice of 4*8*8*8 argon atoms  Defining the lattice  Initialising positions and momenta of all atoms.  Positions by forced initialisation  Velocities using Marsaglia Bray method. .
  • 6.  Forces calculation from lennard jones potential  Periodic Boundary Condition with minimum image condition  Velocity verlet algorithm to update forces and positions
  • 8. Heat Conduction in 1D Chain of Atoms  N particles in a 1D box of length L  Forced position initialisation.  Velocity from Maxwell-Boltzmann distribution in compliance with the initial system temperature.  The left and right hand walls are kept at two different temperatures, in our case, 8K and 2K respectively.  Atoms have a small but finite radius.
  • 9.  Interactions: 1. Particle-particle interactions by hard collisions. We assume that all interactions are elastic. 2. Interaction with the wall: The atoms at the end, upon hitting the wall bound back with a velocity sampled from Rayleigh distribution. Here, TL is the temperature of the wall from which the atom is bounding back.
  • 10.  Local temperatures are calculated according the expression described.  Temperature profile is obtained at steady state.  BBGKY(Boboligov-Born-Green-Kirkwood-Yvon) Equations to model the system.
  • 11. Theoretical Prediction  Surprisingly, the temperature profiles in the case of equal masses and the one with arbitrarily small mass differences completely different.  But energy density is constant in space at steady state. Seemingly contradicting.  Temperature profile doesn’t change under m(i)-->c*m(i)  Also, from the boundary conditions, it can be verified that T(cT1, cT2, x)=cT(T1, T2, x) Explanation: Temperature also depends on n(x), i.e. the local number density. T(x,t)= 2 ε(x,t)/n(x,t)
  • 12. 1D system(with 1 particle type)  N particles of same mass in a 1D box of length L  Collisions are assumed to be elastic.  Initialisation is done at a certain temperature,the left and right hand walls are kept at 3K and 2K respectively.  Temperature is calculated for every individual atom and a temperature profile is obtained.
  • 13. Temperature profile  Theoritical prediction says that the temperature profile will be flat with themperature 𝑇1 𝑇2 .Here is the simulated temperature profile
  • 15. 1D system with Particles of Alternating Mass  N particles in a tube of length L. Alternate particles have alternate masses.  The ratio of masses (m1/m2) is varied to get different temperature profiles.  Once again we assume elastic collisions.
  • 17. Observations:  Temperature has a smooth and continuously varying profile with jumps at the boundaries that tend to smoothen with increase in system size.  For small =(𝑚2 − 𝑚1)/𝑚1 and large N , the temperature profile depends on and only by a scaling factor of
  • 18. Energy Profile The energy density profile here is supposed to be the same as the profile for a same mass system
  • 19. The Way Forward  Study of the effects of working fluid on the performance of a finite time Carnot’s cycle.
  • 20. Acknowlegments:  Physics Review Letter, 2001, Heat Conduction in a One-Dimensional Gas of Elastically Colliding Particles of Unequal Mass, Abhishek Dhar, Raman Research Institute, Bangalore  Research Article, 2008, Heat Transfer in Low Dimensional systems, Abhishek Dhar, Raman Research Institute, Bangalore