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Molecular Dynamics Simulation Of The Thermal Properties Of Y Junction Carbon Nanotubes
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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 Determination of Coefficient of Thermal Expansion of Single-walled Carbon Nanotubes Using Molecular Dynamics Simulation by : Naveen Prakash Marimuthu
Download or read book Determination of Coefficient of Thermal Expansion of Single-walled Carbon Nanotubes Using Molecular Dynamics Simulation written by Naveen Prakash Marimuthu and published by . This book was released on 2005 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 Carbon Nanotubes as Nanodelivery Systems by : Melvin Choon Giap Lim
Download or read book Carbon Nanotubes as Nanodelivery Systems written by Melvin Choon Giap Lim and published by Springer Science & Business Media. This book was released on 2013-05-18 with total page 68 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Carbon Nanotubes by : Siva Yellampalli
Download or read book Carbon Nanotubes written by Siva Yellampalli and published by BoD – Books on Demand. This book was released on 2011-07-20 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: Carbon nanotubes are one of the most intriguing new materials with extraordinary properties being discovered in the last decade. The unique structure of carbon nanotubes provides nanotubes with extraordinary mechanical and electrical properties. The outstanding properties that these materials possess have opened new interesting researches areas in nanoscience and nanotechnology. Although nanotubes are very promising in a wide variety of fields, application of individual nanotubes for large scale production has been limited. The main roadblocks, which hinder its use, are limited understanding of its synthesis and electrical properties which lead to difficulty in structure control, existence of impurities, and poor processability. This book makes an attempt to provide indepth study and analysis of various synthesis methods, processing techniques and characterization of carbon nanotubes that will lead to the increased applications of carbon nanotubes.
Book Synopsis Thermal Transport in Carbon-Based Nanomaterials by : Gang Zhang
Download or read book Thermal Transport in Carbon-Based Nanomaterials written by Gang Zhang and published by Elsevier. This book was released on 2017-06-13 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
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 Nanotube Superfiber Materials by : Mark Schulz
Download or read book Nanotube Superfiber Materials written by Mark Schulz and published by William Andrew. This book was released on 2019-03-29 with total page 972 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Handbook of Carbon Nanotubes by : Jiji Abraham
Download or read book Handbook of Carbon Nanotubes written by Jiji Abraham and published by Springer Nature. This book was released on 2022-11-16 with total page 2099 pages. Available in PDF, EPUB and Kindle. Book excerpt: This Handbook covers the fundamentals of carbon nanotubes (CNT), their composites with different polymeric materials (both natural and synthetic) and their potential advanced applications. Three different parts dedicated to each of these aspects are provided, with chapters written by worldwide experts in the field. It provides in-depth information about this material serving as a reference book for a broad range of scientists, industrial practitioners, graduate and undergraduate students, and other professionals in the fields of polymer science and engineering, materials science, surface science, bioengineering and chemical engineering. Part 1 comprises 22 chapters covering early stages of the development of CNT, synthesis techniques, growth mechanism, the physics and chemistry of CNT, various innovative characterization techniques, the need of functionalization and different types of functionalization methods as well as the different properties of CNT. A full chapter is devoted to theory and simulation aspects. Moreover, it pursues a significant amount of work on life cycle analysis of CNT and toxicity aspects. Part 2 covers CNT-based polymer nanocomposites in approximately 23 chapters. It starts with a short introduction about polymer nanocomposites with special emphasis on CNT-based polymer nanocomposites, different manufacturing techniques as well as critical issues concerning CNT-based polymer nanocomposites. The text deeply reviews various classes of polymers like thermoset, elastomer, latex, amorphous thermoplastic, crystalline thermoplastic and polymer fibers used to prepare CNT based polymer composites. It provides detailed awareness about the characterization of polymer composites. The morphological, rheological, mechanical, viscoelastic, thermal, electrical, electromagnetic shielding properties are discussed in detail. A chapter dedicated to the simulation and multiscale modelling of polymer nanocomposites is an additional attraction of this part of the Handbook. Part 3 covers various potential applications of CNT in approximately 27 chapters. It focuses on individual applications of CNT including mechanical applications, energy conversion and storage applications, fuel cells and water splitting, solar cells and photovoltaics, sensing applications, nanofluidics, nanoelectronics and microelectronic devices, nano-optics, nanophotonics and nano-optoelectronics, non-linear optical applications, piezo electric applications, agriculture applications, biomedical applications, thermal materials, environmental remediation applications, anti-microbial and antibacterial properties and other miscellaneous applications and multi-functional applications of CNT based polymer nanocomposites. One chapter is fully focussed on carbon nanotube research developments: published papers and patents. Risks associated with carbon nanotubes and competitive analysis of carbon nanotubes with other carbon allotropes are also addressed in this Handbook.
Book Synopsis Molecular Dynamics Simulation of Thermal and Mechanical Properties of Polyimide-carbon-nanotube Composites by : Dewei Qi
Download or read book Molecular Dynamics Simulation of Thermal and Mechanical Properties of Polyimide-carbon-nanotube Composites written by Dewei Qi and published by . This book was released on 2004 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 Recent Developments in Modeling and Applications of Carbon Nanotubes by : Q. Wang
Download or read book Recent Developments in Modeling and Applications of Carbon Nanotubes written by Q. Wang and published by . This book was released on 2009-01-01 with total page 201 pages. Available in PDF, EPUB and Kindle. Book excerpt: Carbon nanotubes are macromolecules of carbon in a periodic hexagonal arrangement with a cylindrical shell shape. Carbon nanotubes have been subjected to extensive research, with subsequent predictions of extremely high strength and exceptional electronic and thermal properties. They also hold substantial promise as fibers in composites and other devices for the development of superconductive devices for micro-electro-mechanical and nano-electro-mechanical system applications. It is expected that the material has great potential in biological, medical, energy storage, sensor, and other applications. It has been broadly recognized that atomic modeling of carbon nanotube is a powerful tool for analysis of carbon nanotube. Due to massive computations involved, the atomic modeling is limited to systems with a small number of molecules and atoms. On the other hand, attempts at applying continuum mechanics models to better investigate the analysis of carbon nanotube with large sizes have been initiated. However, continuum models are unable to adequately capture the atomic structures of carbon nanotube, and the applicability of the models needs to be justified. Recently, developments of multiscale methods have been proposed to the analysis of carbon nanotube. This book is dedicated to the publication of recent developments in modeling of carbon nanotube via atomic modeling, continuum modeling and multiscale methods for predictions of mechanical, electronic, and thermal properties of carbon nanotube. A wide range of fundamentally theoretical, computational topics on modeling and applications of carbon nanotube will be covered in the book. In addition, applications of carbon nanotubes as nano-devices in atomic and molecular transportations and bistable devices in switching or memory elements in signal processing and communications are also reported. It is with great pleasure that we present this book that covers a very wide and varied range of subject areas in modeling and applications of carbon nanotubes. The first chapter employs molecular dynamics simulations to show macroscopic flows of atomic and molecular hydrogen, helium, and a mixture of both gases both inside and outside a carbon nanotube. In particular, the simulations show a nanoseparation effect of the two gases. The new results in the chapter show the mass selectivity of the nanopumping effect can be used to develop a highly selective filter for various gases. The second chapter introduces a fine continuum model that is developed by virtue of the higher-order continuum theory. Moreover, a mesh-free computational framework is developed to implement the numerical simulation of single- walled carbon nanotubes. The rationality of the higher-order continuum model and the efficiency of mesh-free method are illustrated and discussed in the chapter. The study on the mechanics of buckled single-walled and multiwalled carbon nanotubes, carbon nanotube bundles and coupling effect between adjacent carbon nanotubes is reported in chapter three. Simple expressions of the buckle wavelength, amplitude and critical strain for buckling are given analytically, which show good agreement with experiments. Chapter 4 investigate the applicability of elastic shell model in analysis of graphene and carbon nanotubes. The author reports that the elasticity of graphene should be modeled as a shell composed of 2-dimensional (2D) isotropic materials with proper parameters rather than conventional 3D materials based on calculations by density functional theory. In addition, the elasticity of single-walled carbon nanotube with relative large radius can also be modeled as a shell composed of 2D isotropic materials, whereas the elasticity of single-walled carbon nanotubes with relative small radius should be modeled as a more complicated shell with seven elastic constants rather than the orthotropic thin shell. Mechanical integrity of carbon nanotubes is summarized in chapter 5. Young s modulus for the resistance to the infinitesimal deformation and ultimate strength to the finite deformation are tabled, which have been obtained by experiments, molecular dynamics simulations, and ab-initio calculations. Also the recent continuous modeling of carbon nanotubes is sorted out in tracing its advancement in the chapter. Chapter 6 presents an overview of studies on the wave propagation and the vibrational properties in carbon nanotubes by computational modeling and simulation. The models include the atomic-based continuum model, the Euler-beam model, the Timoshenko beam model, and the three-dimensional elastic shell model. Chapter seven reports the investigations of torsional buckling of both single-walled and double-walled carbon nanotubes. In the study of doubled-walled carbon nanotubes via molecular dynamics, a newly revealed buckling mode with one or three thin local rims on the outer tube is discovered while the inner tube shows a helically aligned buckling mode in three dimensions. The distinct buckling modes of the two tubes imply the inapplicability of continuum mechanics modeling in which it is postulated that the buckling modes of the constituent tubes have the same shape. The mechanical properties of single walled carbon nanotubes under both tensile and torsion are investigated using classical molecular dynamics simulations in chapter 8, based on reactive empirical bond-order potential. Based on the predicted mechanical properties, it is predicted that nanotubes may represent new candidates for novel porous, flexible and high strength and tough materials, e.g. ideal as scaffolds in the regenerative medicine. Bistable devices have been widely used as switching or memory elements in signal processing and communications. The bistablity is generally realized electrically or optically. Due to their small size and unique mechanical properties, carbon nanotubes have been proposed to form bistable devices mechanically. The chapter 9 reviews the recent advances of mechanical bistable devices of carbon nanotubes. In the final chapter, the authors have discussed a theoretical model based on kinetic concept of fracture of solids and molecular mechanics simulations for studying the time-dependent behavior of single-walled carbon nanotubes. The major advantage of this model is that the problem of real-time molecular level simulation is circumvented. Compared with recently published data on creep rupture of SWCNT ropes, it is seen that the predictions by the present model is quite reasonable, thus setting up a framework for modeling the time-dependent behavior of carbon nanotubes and their composites. We would like to extend our sincere thanks to the authors for their contributions, especially their precious time and efforts invested in the book. We also would like to thank Transworld Research Network Publishers for the opportunity to publish the book to address very important and challenging issues. The support and love from our families are deeply appreciated.
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 Micro and Nano Thermal Transport by : Lin Qiu
Download or read book Micro and Nano Thermal Transport written by Lin Qiu and published by Academic Press. This book was released on 2022-02-09 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Micro and Nano Thermal Transport Research: Characterization, Measurement and Mechanism is a complete and reliable reference on thermal measurement methods and mechanisms of micro and nanoscale materials. The book has a strong focus on applications and simulation, providing clear guidance on how to measure thermal properties in a systematic way. Sections cover the fundamentals of thermal properties before introducing tools to help readers identify and analyze thermal characteristics of these materials. The thermal transport properties are then further explored by means of simulation which reflect the internal mechanisms used to generate such thermal properties. Readers will gain a clear understanding of thermophysical measurement methods and the representative thermal transport characteristics of micro/nanoscale materials with different structures and are guided through a decision-making process to choose the most effective method to master thermal analysis. The book is particularly suitable for those engaged in the design and development of thermal property measurement instruments, as well as researchers of thermal transport at the micro and nanoscale. Includes a variety of measurement methods and thermal transport characteristics of micro and nanoscale materials under different structures Guides the reader through the decision-making process to ensure the best thermal analysis method is selected for their setting Contains experiments and simulations throughout that help apply understanding to practice
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.
Download or read book Carbon Nanotubes written by M. Meyyappan and published by CRC Press. This book was released on 2004-07-28 with total page 306 pages. Available in PDF, EPUB and Kindle. Book excerpt: Carbon nanotubes, with their extraordinary mechanical and unique electronic properties, have garnered much attention in the past five years. With a broad range of potential applications including nanoelectronics, composites, chemical sensors, biosensors, microscopy, nanoelectromechanical systems, and many more, the scientific community is more moti
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.
