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Heat Transport in Micro- and Nanoscale Thin Films
Heat Transport in Micro- and Nanoscale Thin Films
Heat Transport in Micro- and Nanoscale Thin Films
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Heat Transport in Micro- and Nanoscale Thin Films

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Heat Transport in Micro- and Nanoscale Thin Films presents aspects and applications of the principle methods of heat transport in relation to nanoscale films. Small-scale parts and thin films are widely used in the electronics industry. However, the drastic change in the thermal conductivity with reducing device size and film thickness modifies the energy transport by heat-carrying phonons in the film.

Energy transfer in small-sized devices and thin films deviate from the classical diffusion to radiative transport. This book deals with micro/nano scale heat transfer in small scale devices and the thin films, including interface properties of cross-plane transport. The book fills the gap between applications of the physical fundamentals and energy transport at the micro- and nano scale, which will be valuable for academics, researchers and students in the fields of materials science and energy transport.

  • Offers a specialist focus on nanoscale thin films, allowing the reader to create more efficient heat transfer systems
  • Includes in-depth coverage of the formulation of transient energy transport for short durations of heating, which is valuable those working in electronics
  • Focuses on applications and real-life case studies to clearly illustrate how the theories explained in the book can be used in industry
LanguageEnglish
Release dateAug 23, 2017
ISBN9780323429986
Heat Transport in Micro- and Nanoscale Thin Films
Author

Bekir Sami Yilbas

Bekir S. Yilbas received his PhD in Mechanical Engineering from the Birmingham University. He was awarded the Doctor of Engineering in 2005 by Birmingham University owing to his significant contribution to his field of study. He has published over 600 journal papers in reputable international journals and presented over 100 papers at international conferences. He has served as an editorial board member of international journals, including International Journal of Machine Tool and Manufacture Design, Research and Application, International Journal of Subsurface Sensing Technologies and Applications, Journal of Materials Processing Technology, Journal of Achievements in Materials and Manufacturing Engineering, International Journal of Nano-manufacturing and Archives of Materials Science and Engineering. He has received numerous awards as recognition of his research work.

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    Heat Transport in Micro- and Nanoscale Thin Films - Bekir Sami Yilbas

    Heat Transport in Micro- and Nanoscale Thin Films

    Bekir Sami Yilbas

    Mechanical Engineering Department, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia

    Saad Bin Mansoor

    Mechanical Engineering Department, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia

    Haider Ali

    Mechanical Engineering Department, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia

    Table of Contents

    Cover image

    Title page

    Copyright

    Preface

    Acknowledgment

    Chapter 1. Introduction

    Abstract

    1.1 General Considerations

    1.2 Scale of Energy Transport

    1.3 Some Aspects of Statistical Approach for Micro/Nanoscale Transport

    References

    Chapter 2. Crystal Dynamics and Lattice Waves

    Abstract

    2.1 Introduction

    2.2 Elementary Crystallography

    2.3 Lattice Vibration

    2.4 Phonon Scattering

    2.5 Thermal Properties

    2.6 Closing Remarks

    References

    Chapter 3. Some Aspects of Statistical Thermodynamics

    Abstract

    3.1 Introduction

    3.2 Statistical Mechanics

    3.3 Ensembles

    3.4 Statistical Distributions

    3.5 Closing Remarks

    References

    Chapter 4. Analysis of Energy Transport Equations at Micro/Nanoscales

    Abstract

    4.1 Introduction

    4.2 Hyperbolic Heat Equation and Applications

    4.3 Electron Kinetic Theory Approach for Energy Transfer in Metallic Films

    4.4 Equation of Phonon Radiative Transfer

    4.5 Thermal Stresses in Solids During Short Heating Durations and Applications

    4.6 Schrödinger Equation

    4.7 Closing Remarks

    References

    Chapter 5. Analytical Treatment of Phonon Transport in Thin Films

    Abstract

    5.1 Introduction

    5.2 Analytical Solution of Reduced Equation for Phonon Radiative Transport

    5.3 Analytical Solution of Steady-State Equation for Phonon Radiative Transport (EPRT) Due to Temperature Disturbance Across a Thin Film

    5.4 Analytical Solution to Formulation of Electron Kinetic Theory

    5.5 Findings and Discussions

    5.6 Closing Remarks

    References

    Chapter 6. Heat Transfer Applications in One- and Two-Dimensional Thin Films

    Abstract

    6.1 Introduction

    6.2 Transient Analysis and Case Studies

    6.3 Cross-Plane Transport and Case Studies

    6.4 Closing Remarks

    References

    Chapter 7. Thermal Boundary Resistance for Cross-Plane Transport and the Presence of Minute Vacuum Gap at Interface

    Abstract

    7.1 Introduction

    7.2 Application of Thermal Boundary Resistance Across Thin Films

    7.3 Applications in Cross-Plane Transport Across Dielectric Thin Films With Minute Gap

    7.4 Applications in Cross-Plane Transport Across Dielectric Thin Films With Minute Gap: Consideration of Near-Field Radiation

    7.5 Applications in Cross-Plane Transport Across Metallic-Dielectric Thin Films Composite With Minute Gap Under Laser Irradiation

    7.6 Closing Remarks

    References

    Chapter 8. Phonon Radiative Transfer in Curvilinear Coordinate Systems

    Abstract

    8.1 Introduction

    8.2 Curvilinear Coordinates

    8.3 EPRT in Orthogonal Coordinate Systems

    8.4 EPRT in Nonorthogonal Coordinate Systems

    8.5 Application to Two-Dimensional Phonon Radiative Transfer

    8.6 Concluding Remarks

    References

    Chapter 9. Concluding Remarks

    Abstract

    9.1 Analytical Solutions for Heat Equation and Thermal Stress Field

    9.2 Numerical Solutions to Equation for Phonon Radiative Transport

    Index

    Copyright

    Elsevier

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    Notices

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    Preface

    Dielectric and metallic micro/nanosized films are widely used in electronic, biomedical, sensor, and other industries. The recent developments in science and engineering enable us to reduce device sizes at micro/nanolevels, which becomes vital for the technological progresses in this century. The performance of micro/nanosized devices is highly related to heat generation and dissipation in the device. The fundamental understanding of the device response to heat generation and dissipation is critical for reducing device size and improving device performance. Micro/nanoscale energy transport becomes important in maintaining device performance over long operational periods. For example, tissue engineering is critical for biomedical applications; the micro/nanoscale energy transport remains important for the development of cells in various forms in biological tissues. In general, phonon transport governs the energy transfer in terms of heat in micro/nanoscale devices and thin films. The Fourier heat equation predicts temperature field and heat transfer rates within small-sized devices and thin films. Consequently, when modeling energy transfer in terms of heat, care should be taken to incorporate the wave nature of transport characteristics. Although hyperbolic equations can provide some useful information about the heat diffusion characteristics in micro/nanosized devices, it overlooks the frequency dependence of the transport. Therefore, energy transport in such devices can be modeled using the Boltzmann transport equation, which incorporates the frequency dependence of transport characteristics via dispersion relations of the device materials. Further adoption of the Boltzmann equation toward micro/nanoscale energy transport leads to the development of the equation for phonon radiative transport, which is currently used to tackle phonon transport in micro/nanoscale devices.

    In some applications, micro/nanosized devices are composed of layered structures such as thin film pairs or the structures involved with minute-sized gaps such as nanosized pores and voids. The energy transport characteristics across the film pairs or minute-sized gaps are modified through thermal boundary resistance at the interfaces. Thermal boundary resistance lowers phonon transport across the interface; however, the amount of energy transport across the films pair interface depends on the mismatch between cut-off frequencies of phonon corresponding to both films. On the other hand, quantifying the phonon intensity distribution inside the film is challenging in terms of thermodynamic properties, such as temperature, because of the small scale of the film size. Therefore, equivalent equilibrium temperature can be defined anywhere in the thin film as an analog of the thermodynamic temperature as defined in the diffusive limit in any medium. Equivalent equilibrium temperature represents the average energy of all phonons around a local point and it is equivalent to the equilibrium temperature of phonons when they redistribute adiabatically to an equilibrium state. In the case of the presence of a minute-sized vacuum gap at the interface, ballistic phonons play a major role in energy transport across the films despite the fact that near field radiation contributes to energy transport across vacuum gaps. In metallic films, when the size of the vacuum gap becomes greater than that of the mean free path of electrons, energy transport by electron jump ceases across the vacuum gap. The reflected electrons from interfaces cause electron resistance in the close region of interface while influencing the energy state of electrons in this region. This, in turn, complicates energy transport across the vacuum gap between metallic thin films.

    An analytical solution to the micro/nanoscale heating problem is possible after considerable simplification of the physical processes involved in micro/nanoscale thermal transport. Although an analytical solution of the heating problem provides a functional relation between the thermal response and the physical parameters of the film, oversimplification of the physical process via assumptions limits the practical importance of the solution. On the other hand, numerical treatment of the heating process can require excessive computational efforts to capture and apprehend the physical insight of micro/nanolevel processes. Nevertheless, the accuracy of analytical and numerical solutions remains in question because of the limitations in model studies featuring the complete physical aspects of the real phenomena. Analytical solution of heating complements numerical results. Formulation of micro/nanoscale heat transfer ends up with integrodifferential equations and an analytical approach for such equations requires significant efforts to obtain closed form solutions. However, once it is achieved, it serves the purpose and eliminates the excessive computations efforts; therefore, such efforts deserve acknowledgment and support for trial.

    In this book, some basics of crystallography are introduced in line with energy transport at micro/nanoscale. In addition, relevant aspects of statistical thermodynamics pertinent to energy transfer are presented to form the background of energy transport characteristics in small-scale devices such as thin films. The basics of the Boltzmann equation and the equation for phonon transport are presented in the physical frame associated with the micro/nanoscale transport. Since thermal separation of electron and lattice subsystems takes place in metallic films when subjected to short duration of thermal disturbance, the electron kinetic theory approach is introduced to formulate governing equations of heat transfer. An attempt is made to reduce the heat equations into hyperbolic form, which covers the wave nature of the heating problem. Later, comparison of the heat equation derived from electron kinetic theory and that corresponding to a well-stated two-temperature model is made. An analytical solution of the equation for phonon radiative transfer is presented for the conditions of a steady and one-dimensional micro/nanoscale heating situation. A numerical solution of radiative phonon transport is provided for one-dimensional dielectric and metallic thin films, and later this effort is extended to include two-dimensional thin films. Since electron contribution to the energy transport is significant in metallic thin films, the equation for phonon radiative transport is modified to include electron–phonon coupling, and phonon intensity distribution in an electronic subsystem is, then, obtained accordingly.

    Case studies are included to demonstrate the application of the equation for phonon transport in one- and two-dimensional films. These case studies involve laser short-pulse irradiation at film surfaces and temperature disturbance across film edges. Cross-plane transport across thin films pair is also included and some case studies are introduced to understand the phonon transport characteristics. Importance and application of thermal boundary resistance for cross-plane phonon transport is introduced and some case studies are included. The minute-sized vacuum gap is introduced at the films pair interface and its effects on phonon cross-transport characteristics are presented. A case study is incorporated to demonstrate the energy balance, including ballistic phonon contributions and near-field radiation across the vacuum gap, across the interface of films pair. However, other issues related to micro/nanoscale heat transfer are possible and these are not presented in this book due to space limitations. Future treatments will review the other processes.

    Acknowledgment

    We would like to acknowledge the role of the Deanship of Research of King Fahd University of Petroleum & Minerals in extending strong support, via project BW151002, from beginning to end, facilitating every aspect during the preparation of the book. The author wishes to thank to the colleagues who contributed to the work presented in the book through previous cooperation of the authors. In particular, thanks to Dr. Nasser Al-Aqeeli, Dr. Hussein Al-Qahtani, Dr. Ahmed Al-Dweik, and all the graduate students involved with micro/nanoscale transport research.

    Chapter 1

    Introduction

    Abstract

    This chapter provides introductory information on micro/nanoscale heat transfer. Since the micro/nanoscale heat transport equation differs from the classical treatment of heat equation, fundamental understanding of the differences between the classical approach and the micro/nanoscale treatment are presented. The importance of scale of energy transport is given first and statistical approaches, covering the aspects of micro/nanoscale transport, are included later. Some formulation of the Boltzmann equation is introduced, and possible simplification of the Boltzmann transport equation is discussed. In general, it provides valuable details and comprehensive understanding of the micro/nanoscale heat transport particularly for the application of the thin films. Phonon transport characteristics are also included and the importance of frequency-dependent behavior of phonon transport toward the energy transfer across the thin films is discussed.

    Keywords

    Micro/nanoscale heat transfer; statistical treatment; Boltzmann equation; phonon transport

    1.1 General Considerations

    Thin films of dielectric materials of thickness within the range of 10 nm–100 µm are used extensively in semiconductor electronic devices. This is because of the fact that there has been an increasing focus on miniaturization of devices by researchers. In addition, micro- and nanoscale technologies have become one of the major research areas in academia. In the micro- and nanoscale analysis, some of the physical effects, which can be ignored at the macroscale analysis, become important while resulting in the error in estimations due to the differences in the properties of bulk, and micro- and nanoscale material. In order to design high efficiency micro- and nanoscale devices and to achieve desirable performances from these devices, a deep physical understanding of the transport process becomes necessary. These films form barrier layers between electrically conducting regions, and also have to conduct the heat generated in the devices. Since the performance of an electronic device depends on the device temperature, the study into energy transport characteristics in dielectric thin films becomes crucial [1]. A design methodology based on the Fourier law of heat conduction does not provide desirable accuracy since the transport characteristics do not match with the experimental data. Numerous researchers have concentrated their efforts toward the proper modeling and the solution of energy transport processes at micro- and nanoscale levels for such devices. The researchers face the problems in modeling of micro- and nanoscale energy transport mainly due to the transport properties of the small-size devices. When device sizes are comparable to the mean free path of the heat carriers, conventional methods of modeling, which are based on a continuum hypothesis, may no longer be applicable. Fourier law, which is quite accurate for common engineering situations [2] and based on the continuum hypothesis, becomes invalid for energy transport at micro- and nanoscale. It is now well established that conventional Fourier analysis leads to large erroneous thermal predictions when the mean free path of heat carriers is comparable to or larger than the device size [3].

    On the other hand, energy transport at micro- and nanoscale is one of the important aspects of the process; therefore, it is the essential part of the area of research. The knowledge of thermal characteristics including energy transport and properties can help in determining the performance of micro- and nanoscale devices; e.g., effective thermal management of heat sources can improve the performance of devices, such as transistors on computer microprocessors. In solar energy technology, for direct conversion of solar energy into electrical energy, the photovoltaic (PV) cells are commercially used. Silicon is commonly used as a photoactive material in the manufacturing of PV cells. Since the absorption depth for solar radiation in silicon is large, a thick layer of material is required for sufficient absorption of solar radiation, making the PV cells expensive. In an effort to make solar technology economically viable, quantum dots are placed on the solar cells. Quantum dots with their high absorption characteristics are a promising solution for significantly reducing the absorber material requirement. In this regard, the physical understanding of energy transport in silicon thin film with the presence of quantum dots is of vital importance. Thermoelectric generators (TEGs) are cost-effective solid-state devices that are used to convert thermal energy into electrical energy. The TEG efficiency depends upon the operating temperature, figure of merit, and design configuration of the device. A material with high electrical conductivity and low thermal conductivity is required in order to increase the figure of merit and efficiency of TEG. In metals, at moderate temperatures, the ratio of the thermal conductivity to that of the electrical conductivity is directly proportional to the temperature, with the proportionality constant being independent of any particular metal. Therefore, improvements in the efficiency of thermoelectric elements using metals are difficult. The thermal conductivities of dielectric thin films are often smaller than those of their corresponding bulk materials; therefore, in microsized semiconductors, it may be possible to reduce the thermal conductivity without reducing the electrical conductivity. This in fact increases the figure of merit and efficiency of a thermoelectric device. In this case, the heat is mainly transported by phonons in a semiconductor whereas the electricity is transported by the electrons. Hence, it is important to have a thorough understanding of the transport processes in thin films.

    Dielectric thin films are often in contact with a substrate material that may be a dielectric or a metal. The continuum hypothesis becomes invalid if the mean free path for the heat carrier is comparable or higher than the film and substrate thickness. Thermal energy transport between a dielectric film and a metal film is further complicated due to the nonequilibrium energy transfer between the electron and phonon subsystems in the metallic film, near the interface. As a result of this effect, thermal boundary resistance increases. It is important in such situations to explore a basic understanding of the thermal transport mechanisms. Net heat flux for two solids, which are a small distance apart by vacuum gap, is much greater than that predicted by the Stefan–Boltzmann law between two blackbodies [4]. Since energy transport between surfaces at close vicinity has important applications in nanoscale energy conversion devices and near-field scanning thermal microscopy [5], investigation of energy transport in thin films paired with the presence of minute gap is of importance. Energy transport in dielectric thin films with the combination of metallic/nonmetallic films and quantum dots plays an important role for the device performance. The thermal properties of the thin film mainly depend on the film size and heat source location. Therefore, investigation into the energy transport characteristics due to the film size and heat source location becomes necessary. Since the model study provides useful information on the transport characteristics, research focusing on the model study is essential.

    1.2 Scale of Energy Transport

    . In dielectric materials, thermal energy is transported by means of lattice vibration about their equilibrium position. Among these vibrations, only certain frequencies of waves are responsible for carrying energy due to quantization. These waves can travel from one surface of thin film toward the other surface, which results in the energy transport between surfaces. These lattice vibrations are called phonons. The interaction of the two phonon waves is termed collision and average distance traveled between two successive interactions of phonon wave is known as mean free path of phonon is greater than the distance in the x. Therefore in thin film at a specific distance it is possible that some phonon waves are reached by ballistic transport and some by diffusive transport. When the characteristic dimension of the material is comparable with the mean free path, then the transport is known as ballistic diffusive transport. This is a combination of ballistic and diffusive transport. The temperature jump can be observed at the films edges due to the boundary resistance.

    , which are important thermal quantities in energy transport in solids. For homogeneous and isotropic medium, the Fourier law of heat conduction can be written as:

    (1.1)

    where k appears at the same time instant; the thermal wave traveled with infinite speed. It means if the thermal disturbance is applied in the material, its effects can be measured at infinite distance from the thermal disturbance within no time. Although infinite speed of thermal wave is practically imperceptible, but for most common engineering situations Fourier’s law is quite accurate [2]. However, with the fast development in science and technology creating situations involving temperature near absolute zero, extreme thermal gradients, high heat flux conduction, and short time behavior, such as laser–material interaction, under such situations the Fourier’s law becomes invalid [3]. In order to remedy the short comings of the Fourier law, a single-phase lagging model is introduced [8]. Tzou [8] proposed the single phase lagging model, which considers the lagging behavior in heat flux, given by

    (1.2)

    where r is the position vector, t represents the time lag. According to this model for a particular position vector r, temperature gradient is established at time tin Eq. (1.2) with respect to t bridges all the physical quantities at the same instant of time. This results in the expression

    (1.3)

    which is the Cattaneo–Vernotte model provided by Cattaneo results in a large deviation from the Fourier law. On the other hand, many experiments have showed that the single lagging model provides more accurate predications when compared with Fourier law. However, some of the predications by the single lagging model are not in good agreement with the experimental results [2,11,12]. In a detailed study, it has been revealed that the single lagging model does not consider size effects and only accounts for fast transients. To consider the size effect and fast transition the dual phase lag model is presented here [12]:

    (1.4)

    are intrinsic thermal properties of the bulk material.

    Although single and dual-phase lagging models provide solutions to micro/nanoscale transport in solids, the physical fundamentals are not fully incorporated in the analysis, particularly metallic films. Moreover, the kinetic theory approach can be used for the analysis of nonequilibrium energy transport processes in metallic substrate. One nonequilibrium energy transport process is the heating of a metallic substrate when the heating time approaches the electron–phonon energy relaxation time. In this case, the Fourier heating model fails to predict the correct temperature distribution in the surface vicinity of the substrate [13]. In such a situation, a kinetic theory approach can be used to estimate the energy transport characteristics [14–16]. The electron kinetic theory approach considers the electron–phonon collision mechanism through which the energy exchange between the electrons and lattice site atoms occur. For ultrafast external pulse heating application the electron kinetic theory approach gives [17]

    (1.5)

    is the specific heat, x is the spatial coordinate corresponding to x axis, f is the absorption coefficient. When the second and third terms of the right-hand side in this equation are neglected, the equation results in the Fourier conduction equation with external heating term.

    One of the fundamental solutions of micro/nanoscale energy transport is to use the Schrödinger wave equation with the appropriate boundary conditions. The wave particle duality of light, motivated de Broglie [18] to postulate that a material particle may also have wave properties. In continuation to the wave nature of material particles, Schrödinger introduced the equation in the form of the wave functions that govern the motion of small particles, and specify how these waves are altered by external influence. Schrödinger states that the wave function of any material obeys the following equation [19]:

    (1.6)

    where m is mass, t is the time, U is the wave function. In 1926, Born defined the wave function [6]. He stated that the product of wave function and its complex conjugate is the probability density function. Schrödinger’s equation can be solved for the analysis of energy transport characteristics for some simple cases [20].

    Molecular dynamics (MD) simulations can be used to calculate the energy transport characteristics in nanosize devices. These simulations calculate the motion of atoms in a molecular assembly using Newtonian dynamics to determine the net force and acceleration experienced by each particle. For i, MD simulation solved the following equation [6]:

    (1.7)

    where N denotes the force exerted on particle i by particle j. MD simulation predicts the position and momentum of particles in the system, which can be used to investigate the transport characteristics in the system.

    The first principle solution of energy transport at micro/nanoscale transport can be formulated using the Boltzmann transport equations (BTEs). The BTE, which is one of the subcontinuum methods, can also be incorporated to examine the nonequilibrium energy transport characteristics in micro- and nanoscale devices. The BTE predicts the nonequilibrium probability distribution, which can be used to determine the energy transport characteristics in nano- and microscale devices. The BTE can be written as [21]

    (1.8)

    where f is the nonequilibrium probability distribution function and p denotes momentum.

    There exist the limitations of the models dictated for the micro/nanoscale energy transport. Fourier law, which is commonly used in macroscale energy transport analysis, does not provide the accurate estimation of transport characteristics at micro- and nanoscale level. Although single-phase lagging models overcome the deficiency of Fourier law regarding the infinite speed thermal wave, some predications by the single lagging model are not in good agreement with the experimental results [2,11,12]. The dual-phase lagging model considers the microstructural interaction, which was neglected in the single phase model. This model can only be used for the predication of energy transport in metallic thin film [22]. The kinetic theory approach can be used for the analysis of nonequilibrium energy transport processes in metallic substrate [14–16], but as the solution requires electron and lattice subsystems, it cannot be used for the analysis of dielectric thin films. The Schrödinger equation is used for the estimation of electrical characteristics in thin films [23,24], but for the analysis of energy transport characteristics in thin films it becomes very complicated to obtained proper solution. An MD simulation overcomes the major limitation of BTE methods, which is that they invariably require experiments to determine fitting parameters for the models. Therefore, for new and novel nanoscale materials for which no experiments have been performed or for cases where experiments are too difficult to perform, BTE approaches cannot be effectively used. Despite the fact that MD simulation can be used to determine the energy transport characteristics in thin films, it requires excessive computational power and can become unphysical due to periodic boundary conditions implemented in the solution. Thin films are too large to yield to atomistic-level simulation, and estimation of the energy transport characteristic must rely on solutions of the BTE [25]. Therefore, in this book, the BTE, which is one of the subcontinuum methods, is used to assess the energy transport characteristics in thin films including the ballistic effects.

    In statistical mechanics, nonequilibrium processes are described by using the BTE, which is a semiclassical approach. The BTE is a nonclassical approach as it does not consider the matter as a continuum, but is considered to be composed of an extremely large number of particles, atoms, molecules, electrons, and so on. Therefore, this models the microscopic behavior of the material and macroscopic properties are comprehended from microscopic behavior. The BTE is classical in the sense that the particles are assumed to obey the laws of classical mechanics and no quantum mechanical effect is assumed. This may not be entirely true because some results from the quantum theory may be needed to model the scattering terms in the BTE. However, the wave mechanics formulation is never used directly and hence we may assume a classical treatment. Hamiltonian mechanics formulation of classical mechanics is usually used in the

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