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Thermal Conductivity Of Carbon Nanotubes From Equilibrium Molecular Dynamics Simulations
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Book Synopsis Thermal Conductivity of Carbon Nanotubes from Equilibrium Molecular Dynamics Simulations by : Jonathan Dallaire
Download or read book Thermal Conductivity of Carbon Nanotubes from Equilibrium Molecular Dynamics Simulations written by Jonathan Dallaire and published by . This book was released on 2012 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Le présent travail vise à apporter certaines pistes de solution concernant certaines controverses sur l'estimation de la conductivité thermique des nanotubes de carbone par simulation de dynamique moléculaire à l'équilibre avec conditions aux limites périodiques et la formule de Green-Kubo. Entre autre, différents auteurs obtiennent des résultats pouvant parfois varier de plusieurs ordres de grandeur pour un même type de nanotube. H n'y a toutefois que très peu d'études jusqu'à ce jour tentant d'expliquer ces contradictions. Dans la première partie du projet, on détermine les paramètres numériques pouvant influencer la conductivité thermique calculée avec une méthode de dynamique moléculaire à l'équilibre. On effectue ensuite une analyse de sensibilité pour plusieurs de ces paramètres afin de déterminer de quelle manière ils influencent la conductivité thermique calculée (chapitres 3 et 4). Finalement, on présente une étude sur le phénomène de fréquence de coupure lors du calcul de la conductivité thermique (chapitre 5).
Book Synopsis Thermal Conductivity and Thermal Rectification in Carbon Nanotubes by : Mohammad Alaghemandi
Download or read book Thermal Conductivity and Thermal Rectification in Carbon Nanotubes written by Mohammad Alaghemandi and published by . This book was released on 2010 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Study of the Thermal Conductivity in Metal-coated Carbon Nanotubes Using Molecular Dynamics Atomistic Simulations by : Dinesh Kumar Bommidi
Download or read book Study of the Thermal Conductivity in Metal-coated Carbon Nanotubes Using Molecular Dynamics Atomistic Simulations written by Dinesh Kumar Bommidi and published by . This book was released on 2018 with total page 75 pages. Available in PDF, EPUB and Kindle. Book excerpt: To improve the energy efficiency in many electronics and machinery applications, advanced Thermal Interface Materials (TIMs) with high heat dissipation ability and more pliability must be employed. Among a variety of promising choices to make the advanced TIMs, Vertically Aligned Carbon Nanotube (VACNT) turfs (arrays) outstand with their exceptional mechanical and thermal properties. Individual CNTs are quite flexible due to their quasi-one-dimensional structure and presence of strong sp2 bonds among the carbon atoms gives them great strength. Also, the dominance of ballistic phonon transport in the CNTs endows them superior thermal conductivity when compared to many metallic substrates. However, the defects in CNTs, misaligned axial contacts between CNTs in a CNT turf, and the CNTs/substrate resistance reduce the practical thermal conductivity of the material. It is hypothesized that the application of metal coatings on each CNT in a CNT turf would enhance the overall thermal conductivity of the material and improve the connectivity between the CNT turfs and the metallic substrate. As the diameter of the CNTs in a CNT turf is in the order of several nanometers, Molecular Dynamics (MD) atomistic simulations is selected as a tool which provide a deeper understanding in studying the thermal transport at the fundamental level. Thermal conduction in the metals is electron dominant whereas regular MD procedures are incapable of considering the energy exchange between these electrons and phonons. Therefore, a different mechanism called Two-temperature Model (TTM) coupled with Non-Equilibrium MD is used in this study and proved to be effective. MD code to procure the coefficient of thermal conductivity (kappa) was developed and the effects of the metal thickness, number of walls in the CNT and the role of diameter of CNT on kappa of the metal-coated CNTs was individually investigated. It was shown that the increase in the thickness of metal coating would impede the kappa of individual CNTs following an inverse power trend. Also, it was found that among the number of shells in the CNT and its diameter, the former parameter tends to contribute more towards the thermal transport than the latter. The results of this work are capable of predicting the optimal design structure for metal-coated VACNT composite for advanced thermal management applications.
Book Synopsis Heat Conduction Analysis of Randomly Dispersed Singlewalled Carbon Nanotubes by :
Download or read book Heat Conduction Analysis of Randomly Dispersed Singlewalled Carbon Nanotubes written by and published by . This book was released on 2007 with total page 37 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis studies the effective thermal conductivity of randomly oriented, percolated carbon nanotubes. To that end, a multiscale analysis approach was adopted. At the nanoscale, molecular dynamics simulation was performed to determine the thermal conductivity coefficient of a single carbon nanotube. Then, thermal conductivity of two carbon nanotubes positioned at different angles were studied after determining the equilibrium positions of the two nanotubes at various relative positions. Finally, using the data obtained in the previous analyses, the effective thermal conductivity of randomly oriented carbon nanotubes was calculated using the finite element model where each nanotube was modeled as a continuous rod.
Book Synopsis Molecular Dynamics Simulation of the Thermal Properties of Y-junction Carbon Nanotubes by : Aron William Cummings
Download or read book Molecular Dynamics Simulation of the Thermal Properties of Y-junction Carbon Nanotubes written by Aron William Cummings and published by . This book was released on 2004 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Physics of Carbon Nanotubes by : Hashem Rafii-Tabar
Download or read book Computational Physics of Carbon Nanotubes written by Hashem Rafii-Tabar and published by Cambridge University Press. This book was released on 2008 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the key theories, computational modelling and numerical simulation tools required to understand carbon nanotube physics. Specifically, methods applied to geometry and bonding, mechanical, thermal, transport and storage properties are addressed. This self-contained book will interest researchers across a broad range of disciplines.
Book Synopsis Nanoscale Energy Transport and Conversion by : Gang Chen
Download or read book Nanoscale Energy Transport and Conversion written by Gang Chen and published by Oxford University Press. This book was released on 2005-03-03 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a graduate level textbook in nanoscale heat transfer and energy conversion that can also be used as a reference for researchers in the developing field of nanoengineering. It provides a comprehensive overview of microscale heat transfer, focusing on thermal energy storage and transport. Chen broadens the readership by incorporating results from related disciplines, from the point of view of thermal energy storage and transport, and presents related topics on the transport of electrons, phonons, photons, and molecules. This book is part of the MIT-Pappalardo Series in Mechanical Engineering.
Book Synopsis Thermal Behaviour and Applications of Carbon-Based Nanomaterials by : Dimitrios V. Papavassiliou
Download or read book Thermal Behaviour and Applications of Carbon-Based Nanomaterials written by Dimitrios V. Papavassiliou and published by Elsevier. This book was released on 2020-04-01 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Heat Dissipation from Carbon Nano-electronics by : Zhun Yong Ong
Download or read book Heat Dissipation from Carbon Nano-electronics written by Zhun Yong Ong and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The incorporation of graphitic compounds such as carbon nanotubes (CNTs) and graphene into nano-electronic device packaging holds much promise for waste heat management given their high thermal conductivities. However, as these graphitic materials must be used in together with other semiconductor/insulator materials, it is not known how thermal transport is affected by the interaction. Using different simulation techniques, in this thesis, we evaluate the thermal transport properties - thermal boundary conductance (TBC) and thermal conductivity - of CNTs and single-layer graphene in contact with an amorphous SiO2 (a-SiO2) substrate. First, the theoretical methodologies and concepts used in our simulations are presented. In particular, two concepts are described in detail as they are necessary for the understanding of the subsequent chapters. The first is the linear response Green-Kubo (GK) theory of thermal boundary conductance (TBC), which we develop in this thesis, and the second is the spectral energy density method, which we use to directly compute the phonon lifetimes and thermal transport coefficients. After we set the conceptual foundations, the TBC of the CNT-SiO2 interface is computed using non- equilibrium molecular dynamics (MD) simulations and the new Green-Kubo method that we have developed. Its dependence on temperature, the strength of the interaction with the substrate, and tube diameter are evaluated. To gain further insight into the phonon dynamics in supported CNTs, the scattering rates are computed using the spectral energy density (SED) method. With this method, we are able to distinguish the different scattering mechanisms (boundary and CNT-substrate phonon-phonon) and rates. The phonon lifetimes in supported CNTs are found to be reduced by contact with the substrate and we use that lifetime reduction to determine the change in CNT thermal conductivity. Next, we examine thermal transport in graphene supported on SiO2. The phonon contribution to the TBC of the graphene-SiO2 interface is computed from MD simulations and found to agree well with experimentally measured values. We derive the theory of remote phonon scattering of graphene electrons and compute the heat transfer coefficient dependence on doping level and temperature. The thermal boundary conductance from remote phonon scattering is found to be an order of magnitude smaller than that of the phonon contribution. The in-plane thermal conductivity of supported graphene is calculated from MD simulations. The experimentally measured order of magnitude reduction in thermal conductivity is reproduced in our simulations. We show that this reduction is due to the damping of the flexural (ZA) modes. By varying the interaction between graphene and the substrate, the ZA modes hybridize with the substrate Rayleigh modes and the dispersion of the hybridized modes is found to linearize in the strong coupling limit, leading to an increased thermal conductance in the composite structure.
Book Synopsis Carbon Nanomaterials: Modeling, Design, and Applications by : Kun Zhou
Download or read book Carbon Nanomaterials: Modeling, Design, and Applications written by Kun Zhou and published by CRC Press. This book was released on 2019-07-17 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Studying the Effect of Vacancies on the Thermal Conductivity of Metal-coated Carbon Nanotubes Using Molecular Dynamics Atomistic Simulations by : Ravindra Sunil Dhumal
Download or read book Studying the Effect of Vacancies on the Thermal Conductivity of Metal-coated Carbon Nanotubes Using Molecular Dynamics Atomistic Simulations written by Ravindra Sunil Dhumal and published by . This book was released on 2019 with total page 66 pages. Available in PDF, EPUB and Kindle. Book excerpt: Breakthroughs in nanotechnology have made it possible for the size of electronic gadgets to be scaled down to micro/nano level. What follows however, is the side effect of high power densities and overheating as the heat dissipation is restricted to very small surface area. Thus, the need of an effective thermal management system is central to these developments. One way to counter this problem is to use Thermal Interface Materials (TIMs) which promote heat transfer between heat source and sink.Owing to their high thermal conductivity (up to 6000 W/mK), Carbon Nanotubes (CNTs) are thought of as strong candidates for TIMs. Unfortunately, they do not behave as expected when employed as Vertically Aligned CNT arrays, called as turfs. Possible causes include but are not restricted to bent/deformed CNTs, presence of impurities, defects, tube-tube contact resistance, and radiative heat losses to surroundings. Since the reduction in thermal conductivity of CNTs due to vacancies can be attributed to scattering of phonons at the site of the vacancies, we hypothesize that coating the defective CNTs with metallic layers will alleviate this reduction by providing additional pathways for heat transfer. Additionally, the metallic coatings will help decrease the contact resistance between co-axial tubes, protect the CNTs from surroundings to reduce radiative heat losses, and provide an added stiffness to CNTs, restricting their deformation. The current study focuses on employing Molecular Dynamics (MD) simulations to study the effect of vacancy concentration(s) on the thermal conductivity of metal-coated tri-walled CNTs (3WCNT).It should be noted that the metal's major contribution to heat transfer is by the virtue of its electrons, which the classical MD simulations are unable to capture. We therefore employ Two-Temperature Model (TTM), which can take into consideration the effect of electron-phonon interactions. Due to its ability to form uniform coatings around CNTs, Nickel has been chosen as the prime candidate for metal in this study.
Book Synopsis Carbon Nanotubes for Interconnects by : Aida Todri-Sanial
Download or read book Carbon Nanotubes for Interconnects written by Aida Todri-Sanial and published by Springer. This book was released on 2016-07-09 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a single-source reference on the use of carbon nanotubes (CNTs) as interconnect material for horizontal, on-chip and 3D interconnects. The authors demonstrate the uses of bundles of CNTs, as innovative conducting material to fabricate interconnect through-silicon vias (TSVs), in order to improve the performance, reliability and integration of 3D integrated circuits (ICs). This book will be first to provide a coherent overview of exploiting carbon nanotubes for 3D interconnects covering aspects from processing, modeling, simulation, characterization and applications. Coverage also includes a thorough presentation of the application of CNTs as horizontal on-chip interconnects which can potentially revolutionize the nanoelectronics industry. This book is a must-read for anyone interested in the state-of-the-art on exploiting carbon nanotubes for interconnects for both 2D and 3D integrated circuits.
Book Synopsis High Thermal Conductivity Materials by : Subhash L. Shinde
Download or read book High Thermal Conductivity Materials written by Subhash L. Shinde and published by Springer Science & Business Media. This book was released on 2006-01-31 with total page 285 pages. Available in PDF, EPUB and Kindle. Book excerpt: The main objective of this book is to cover the basic understanding of thermal conduction mechanisms in various high thermal conductivity materials including diamond, cubic boron nitride, and also the latest material like carbon nanotubes. The book is intended as a good reference book for scientists and engineers involved in addressing thermal management issues in a broad spectrum of industries. Leading researchers from industry and academic institutions who are well known in their areas of expertise have contributed a chapter in the field of their interest.
Book Synopsis Phonon Thermal Transport in Silicon-Based Nanomaterials by : Hai-Peng Li
Download or read book Phonon Thermal Transport in Silicon-Based Nanomaterials written by Hai-Peng Li and published by Springer. This book was released on 2018-09-08 with total page 94 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this Brief, authors introduce the advance in theoretical and experimental techniques for determining the thermal conductivity in nanomaterials, and focus on review of their recent theoretical studies on the thermal properties of silicon–based nanomaterials, such as zero–dimensional silicon nanoclusters, one–dimensional silicon nanowires, and graphenelike two–dimensional silicene. The specific subject matters covered include: size effect of thermal stability and phonon thermal transport in spherical silicon nanoclusters, surface effects of phonon thermal transport in silicon nanowires, and defects effects of phonon thermal transport in silicene. The results obtained are supplemented by numerical calculations, presented as tables and figures. The potential applications of these findings in nanoelectrics and thermoelectric energy conversion are also discussed. In this regard, this Brief represents an authoritative, systematic, and detailed description of the current status of phonon thermal transport in silicon–based nanomaterials. This Brief should be a highly valuable reference for young scientists and postgraduate students active in the fields of nanoscale thermal transport and silicon-based nanomaterials.
Book Synopsis Molecular Dynamics Simulation of Heat Transfer During Quenching in CNT Nanofluids by : Weimin Gao
Download or read book Molecular Dynamics Simulation of Heat Transfer During Quenching in CNT Nanofluids written by Weimin Gao and published by . This book was released on 2014 with total page 19 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanofluids exhibit superior thermal properties to conventional fluid and particle-fluid suspensions and show a great potential as quenching media for quench hardening of steel components. The heat transfer mechanism in nanofluid is very complex and unclear. In this paper, molecular dynamics (MD) simulation method is used to theoretically study the heat transfer from a metal surface at different temperatures to a water-based nanofluid with functionalized carbon nanotubes (FCNTs). To model the quenching process, an initial temperature jump between the nanofluid and an iron slab is employed, and non-equilibrium molecular dynamics (NEMD) simulations are performed. The MD results reveal the heat transfer process in the initial stage of quenching and at the first moment of contact of a liquid nanofluid with a hot metal surface. The thermodynamics and transport properties of the nanofluid and the heat transfer characteristics are discussed with the atomistic details of the interactions of the FCNT with the iron atoms and the water molecules.
Book Synopsis Molecular Dynamics Simulation of the Carbon Nanotube - Substrate Thermal Interface Resistance by : Daniel J. Rogers
Download or read book Molecular Dynamics Simulation of the Carbon Nanotube - Substrate Thermal Interface Resistance written by Daniel J. Rogers and published by . This book was released on 2009 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
