Molecular Dynamics Simulation of the Carbon Nanotube - Substrate Thermal Interface Resistance PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Molecular Dynamics Simulation of the Carbon Nanotube - Substrate Thermal Interface Resistance PDF full book. Access full book title Molecular Dynamics Simulation of the Carbon Nanotube - Substrate Thermal Interface Resistance by Daniel J. Rogers. Download full books in PDF and EPUB format.
Author: Daniel J. Rogers Publisher: ISBN: Category : Heat Languages : en Pages :
Book Description
Thermal management is a key challenge to improving the performance of microelectronic devices. For many high performance applications, the thermal resistance between chip and heat sink may account for half of the total thermal budget. Chip-level heat dissipation is therefore a critical bottleneck to the development of advanced microelectronics with high junction temperatures. Recently aligned carbon nanotube arrays have been developed as possible next generation thermal interface materials to overcome this thermal limitation, however the thermal physics of these nanoscale interfaces remains unclear. In this thesis, the thermal interface resistance between a carbon nanotube and adjoining carbon, silicon, or copper substrate is investigated through non-equilibrium molecular dynamics simulation. Phonon transmission is calculated using a simplified form of the diffuse mismatch model with direct simulation of the phonon density of states. The results of theory and simulation are reported as a function of temperature in order to estimate the importance of anharmonicity and inelastic scattering. The results of this work provide a better understand of the mechanisms of thermal transport to assist future CNT TIM research and development.
Author: Daniel J. Rogers Publisher: ISBN: Category : Heat Languages : en Pages :
Book Description
Thermal management is a key challenge to improving the performance of microelectronic devices. For many high performance applications, the thermal resistance between chip and heat sink may account for half of the total thermal budget. Chip-level heat dissipation is therefore a critical bottleneck to the development of advanced microelectronics with high junction temperatures. Recently aligned carbon nanotube arrays have been developed as possible next generation thermal interface materials to overcome this thermal limitation, however the thermal physics of these nanoscale interfaces remains unclear. In this thesis, the thermal interface resistance between a carbon nanotube and adjoining carbon, silicon, or copper substrate is investigated through non-equilibrium molecular dynamics simulation. Phonon transmission is calculated using a simplified form of the diffuse mismatch model with direct simulation of the phonon density of states. The results of theory and simulation are reported as a function of temperature in order to estimate the importance of anharmonicity and inelastic scattering. The results of this work provide a better understand of the mechanisms of thermal transport to assist future CNT TIM research and development.
Author: Navdeep Singh Publisher: ISBN: Category : Languages : en Pages :
Book Description
Miniaturization of electronic devices for enhancing their performance is associated with higher heat fluxes and cooling requirements. Surface modifi cation by texturing or coating is the most cost-effective approach to enhance the cooling of electronic devices. Experiments on carbon nanotube coated heater surfaces have shown heat transfer enhancement of 60 percent. In addition, silicon nanotubes etched on the silicon substrates have shown heat flux enhancement by as much as 120 percent. The heat flux augmentation is attributed to the combined effects of increase in the surface area due to the protruding nanotubes (nano- n eff ect), disruption of vapor lms and modi fication of the thermal/mass di ffusion boundary layers. Since the e ffects of disruption of vapor lms and modifi cation of the thermal/mass di ffusion boundary layers are similar in the above experiments, the difference in enhancement in heat transfer is the consequence of dissimilar nano- n eff ect. The thermal conductivity of carbon nanotubes is of the order of 6000 W/mK while that of silicon is 150 W/mK. However, in the experiments, carbon nanotubes have shown poor performance compared to silicon. This is the consequence of interfacial thermal resistance between the carbon nanotubes and the surrounding fluid since earlier studies have shown that there is comparatively smaller interface resistance to the heat flow from the silicon surface to the surrounding liquids. At the molecular level, atomic interactions of the coolant molecules with the solid substrate as well as their thermal-physical-chemical properties can play a vital role in the heat transfer from the nanotubes. Characterization of the e ffect of the molecular scale chemistry and structure can help to simulate the performance of a nano fin in diff erent kinds of coolants. So in this work to elucidate the eff ect of the molecular composition and structures on the interfacial thermal resistance, water, ethyl alcohol, 1-hexene, n-heptane and its isomers and chains are considered. Non equilibrium molecular dynamic simulations have been performed to compute the interfacial thermal resistance between the carbon nanotube and different coolants as well as to study the diff erent modes of heat transfer. The approach used in these simulations is based on the lumped capacitance method. This method is applicable due to the very high thermal conductivity of the carbon nanotubes, leading to orders of magnitude smaller temperature gradients within the nanotube than between the nanotube and the coolants. To perform the simulations, a single wall carbon nanotube (nano-fin) is placed at the center of the simulation domain surrounded by fluid molecules. The system is minimized and equilibrated to a certain reference temperature. Subsequently, the temperature of the nanotube is raised and the system is allowed to relax under constant energy. The heat transfer from the nano- fin to the surrounding fluid molecules is calculated as a function of time. The temperature decay rate of the nanotube is used to estimate the relaxation time constant and hence the e ffective thermal interfacial resistance between the nano-fi n and the fluid molecules. From the results it can be concluded that the interfacial thermal resistance depends upon the chemical composition, molecular structure, size of the polymer chains and the composition of their mixtures. By calculating the vibration spectra of the molecules of the fluids, it was observed that the heat transfer from the nanotube to the surrounding fluid occurs mutually via the coupling of the low frequency vibration modes.
Author: Dimitrios V. Papavassiliou Publisher: Elsevier ISBN: 0128176830 Category : Technology & Engineering Languages : en Pages : 370
Book Description
Nanocomposites with Carbon-based nanofillers (e.g., carbon nanotubes, graphene sheets and nanoribbons etc.) form a class of extremely promising materials for thermal applications. In addition to exceptional material properties, the thermal conductivity of the carbon-based nanofillers can be higher than any other known material, suggesting the possibility to engineer nanocomposites that are both lightweight and durable, and have unique thermal properties. This potential is hindered by thermal boundary resistance (TBR) to heat transfer at the interface between nanoinclusions and the matrix, and by the difficulty to control the dispersion pattern and the orientation of the nanoinclusions. Thermal Behaviour and Applications of Carbon-Based Nanomaterials: Theory, Methods and Applications explores heat transfer in nanocomposites, discusses techniques predicting and modeling the thermal behavior of carbon nanocomposites at different scales, and methods for engineering applications of nanofluidics and heat transfer. The chapters combine theoretical explanation, experimental methods and computational analysis to show how carbon-based nanomaterials are being used to optimise heat transfer. The applications-focused emphasis of this book makes it a valuable resource for materials scientists and engineers who want to learn more about nanoscale heat transfer. Offers an informed overview of how carbon nanomaterials are currently used for nanoscale heat transfer Discusses the major applications of carbon nanomaterials for heat transfer in a variety of industry sectors Details the major computational methods for the analysis of the thermal properties of carbon nanomaterials
Author: Gang Zhang Publisher: Elsevier ISBN: 0323473466 Category : Technology & Engineering Languages : en Pages : 386
Book Description
Thermal Transport in Carbon-Based Nanomaterials describes the thermal properties of various carbon nanomaterials and then examines their applications in thermal management and renewable energy. Carbon nanomaterials include: one-dimensional (1D) structures, like nanotubes; two-dimensional (2D) crystal lattice with only one-atom-thick planar sheets, like graphenes; composites based on carbon nanotube or graphene, and diamond nanowires and thin films. In the past two decades, rapid developments in the synthesis and processing of carbon-based nanomaterials have created a great desire among scientists to gain a greater understanding of thermal transport in these materials. Thermal properties in nanomaterials differ significantly from those in bulk materials because the characteristic length scales associated with the heat carriers, phonons, are comparable to the characteristic length. Carbon nanomaterials with high thermal conductivity can be applied in heat dissipation. This looks set to make a significant impact on human life and, with numerous commercial developments emerging, will become a major academic topic over the coming years. This authoritative and comprehensive book will be of great use to both the existing scientific community in this field, as well as for those who wish to enter it. Includes coverage of the most important and commonly adopted computational and experimental methods to analyze thermal properties in carbon nanomaterials Contains information about the growth of carbon nanomaterials, their thermal properties, and strategies to control thermal properties and applications, allowing readers to assess how to use each material most efficiently Offers a comprehensive overview of the theoretical background behind thermal transport in carbon nanomaterials
Author: Melvin Choon Giap Lim Publisher: Springer Science & Business Media ISBN: 9814451398 Category : Technology & Engineering Languages : en Pages : 68
Book Description
This book showcases the application of carbon nanotubes as nanodelivery systems for copper atoms, using molecular dynamics simulations as a means of investigation. The nanodelivery system of the carbon nanotube presents the possible usage of the carbon structure in many areas in the future. This book is comprehensive and informative, and serves as a guide for any reader who wishes to perform a molecular dynamics simulation of his own and to conduct an analytical study of a molecular system.
Author: Mark Schulz Publisher: William Andrew ISBN: 0128126957 Category : Science Languages : en Pages : 972
Book Description
Nanotube Superfiber Materials: Science, Manufacturing, Commercialization, Second Edition, helps engineers and entrepreneurs understand the science behind the unique properties of nanotube fiber materials, how to efficiency and safely produce them, and how to transition them into commercial products. Each chapter gives an account of the basic science, manufacturing, properties and commercial potential of a specific nanotube material form and its application. New discoveries and technologies are explained, along with experiences in handing-off the improved materials to industry. This book spans nano-science, nano-manufacturing, and the commercialization of nanotube superfiber materials. As such, it opens up the vast commercial potential of nanotube superfiber materials. Applications for nanotube superfiber materials cut across most of the fields of engineering, including spacecraft, automobiles, drones, hyperloop tracks, water and air filters, infrastructure, wind energy, composites, and medicine where nanotube materials enable development of tiny machines that can work inside our bodies to diagnose and treat disease. Provides up to date information on the applications of nanotube fiber materials Explores both the manufacturing and commercialization of nanotube superfibers Sets out the processes for producing macro-scale materials from carbon nanotubes Describes the unique properties of these materials
Author: Kun Zhou Publisher: Academic Press ISBN: 0128166169 Category : Technology & Engineering Languages : en Pages : 375
Book Description
Molecular Dynamic Simulation: Fundamentals and Applications explains the basic principles of MD simulation and explores its recent developments and roles in advanced modeling approaches. The implementation of MD simulation and its application to various aspects of materials science and engineering including mechanical, thermal, mass transportation, and physical/chemical reaction problems are illustrated. Innovative modeling techniques that apply MD to explore the mechanics of typical nanomaterials and nanostructures and to characterize crystalline, amorphous, and liquid systems are also presented. The rich research experience of the authors in MD simulation will ensure that the readers are provided with both an in-depth understanding of MD simulation and clear technical guidance. Provides a comprehensive overview of the underlying theories of molecular dynamics (MD) simulation Presents application-based examples pertaining to a broad range of mechanical, thermal, and mass transport problems Explores innovative modeling techniques for simulating typical nanomaterials and nanostructures and for characterizing crystalline, amorphous, and liquid systems
Author: Kun Zhou Publisher: CRC Press ISBN: 1351123572 Category : Technology & Engineering Languages : en Pages : 468
Book Description
Carbon Nanomaterials: Modeling, Design, and Applications provides an in-depth review and analysis of the most popular carbon nanomaterials, including fullerenes, carbon nanotubes, graphene and novel carbon nanomaterial-based membranes and thin films, with emphasis on their modeling, design and applications. This book provides basic knowledge of the structures, properties and applications of carbon-based nanomaterials. It illustrates the fundamental structure-property relationships of the materials in both experimental and modeling aspects, offers technical guidance in computational simulation of nanomaterials, and delivers an extensive view on current achievements in research and practice, while presenting new possibilities in the design and usage of carbon nanomaterials. This book is aimed at both undergraduate and graduate students, researchers, designers, professors, and professionals within the fields of materials science and engineering, mechanical engineering, applied physics, and chemical engineering.
Author: Daniel J. Rogers
Author: Daniel J. Rogers
Author: Navdeep Singh
Author: Dimitrios V. Papavassiliou
Author: Gang Zhang
Author: Melvin Choon Giap Lim
Author: Aron William Cummings
Author: Mark Schulz
Author: Kun Zhou
Author: Taejin Kim
Author: Kun Zhou