June 18, 2021

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Modelling and Mechanics of Carbon-Based Nanostructured Materials

Modelling and Mechanics of Carbon-Based Nanostructured Materials
Author : Duangkamon Baowan,Barry J. Cox,Tamsyn A. Hilder,James M. Hill,Ngamta Thamwattana
Publisher : William Andrew
Release Date : 2017-01-03
Category : Science
Total pages :416
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The advent of nanotechnology has generated considerable advances in industries such as composite materials, electronics and medicine. The unique physical properties observed at the nanoscale are often counter-intuitive, sometimes astounding researchers and thus driving numerous investigations into their special properties and their potential applications. Typically, existing research has been conducted through experimental studies and molecular dynamics simulations. However, often mathematical modelling facilitates device development and provides a quicker route to applications of the technology. Modelling and Mechanics of Carbon-based Nanostructured Materials sets out the principles of applied mathematical modelling in the currently topical area of nanotechnology. It is purposely designed to be self-contained, meaning that one can gain all the necessary modeling principles required for working with nanostructures by reading it. This demonstrates the process of utilizing elementary geometry and mechanics, combined with special function theory, to formulate simple applied mathematical models in a nanotechnology context. Explores how modelling and mechanical principles are applied to better understand the behavior of carbon nanomaterials Clearly explains important models such as the Lennard-Jones potential, in a carbon nanomaterials context Includes worked examples and exercises to help readers to reinforce what they have read

Modelling and Mechanics of Carbon-based Nanostructured Materials

Modelling and Mechanics of Carbon-based Nanostructured Materials
Author : Duangkamon Baowan,Barry J Cox,Tamsyn A Hilder,James M Hill,Ngamta Thamwattana
Publisher : William Andrew
Release Date : 2017-02-12
Category : Science
Total pages :386
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Modelling and Mechanics of Carbon-based Nanostructured Materials sets out the principles of applied mathematical modeling in the topical area of nanotechnology. It is purposely designed to be self-contained, giving readers all the necessary modeling principles required for working with nanostructures. The unique physical properties observed at the nanoscale are often counterintuitive, sometimes astounding researchers and thus driving numerous investigations into their special properties and potential applications. Typically, existing research has been conducted through experimental studies and molecular dynamics simulations. This book goes beyond that to provide new avenues for study and review. Explores how modeling and mechanical principles are applied to better understand the behavior of carbon nanomaterials Clearly explains important models, such as the Lennard-Jones potential, in a carbon nanomaterials context Includes worked examples and exercises to help readers reinforce what they have read

Carbon Nanomaterials: Modeling, Design, and Applications

Carbon Nanomaterials: Modeling, Design, and Applications
Author : Kun Zhou
Publisher : CRC Press
Release Date : 2019-07-17
Category : Technology & Engineering
Total pages :468
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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.

Thermal Behaviour and Applications of Carbon-Based Nanomaterials

Thermal Behaviour and Applications of Carbon-Based Nanomaterials
Author : Dimitrios V. Papavassiliou,Hai M. Duong,Feng Gong
Publisher : Elsevier
Release Date : 2020-04-01
Category : Technology & Engineering
Total pages :368
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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

Vibration and Buckling of Carbon Nanotube, Graphene, and Nanowire

Vibration and Buckling of Carbon Nanotube, Graphene, and Nanowire
Author : Mohammad Hadi Mahdavi
Publisher : Unknown
Release Date : 2013
Category :
Total pages :129
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Nanostructured materials with superior physical properties hold promise for the development of novel nanodevices. Full potential applications of such advanced materials require accurate characterization of their physical properties, which in turn necessitates the development of computer-based simulations along with novel experimental techniques. Since controlled experiments are difficult for nanoscale materials and atomic studies are computationally expensive, continuum mechanics-based simulations of nanomaterials and nanostructures have become the focal points of computational nano-science and materials modelling. In this study, emphasis is given to predicting the mechanical behaviour of carbon nanotube (CNT), graphene, nanowire (NW), and nanowire encapsulated in carbon nanotube (NW@CNT), which are important nanostructures in a variety of real-world applications such as aerospace, automotive, MEMS/NEMS, and electronics. Using elastic continuum models, nonlinear transverse vibration and postbuckling behaviour of CNTs and graphenes embedded in polymer medium is studied. The source of nonlinearity comes from the van der Waals (vdW) interactions between adjacent layers as well as between surrounding polymer medium and carbon-based nanostructure, in which the latter is investigated for the first time in literature. Euler-Bernoulli and Timoshenko beam theories are employed to model CNTs while classic Kirchhoff plate theory is used to model graphene sheets (GSs). A nonlinear function in terms of the graphene or CNT deflection is derived from the interfacial cohesive law to describe the interfacial interactions preserving true nonlinear nature of the vdW forces. Harmonic balance method is successfully employed to solve the nonlinear governing equations and provide parametric and explicit equations for predicting nonlinear resonant frequencies and postbuckling equilibrium path of the embedded CNTs and GSs. Unlike linear analysis results, the resonant frequencies and postbuckling loads are deflection dependent. The surrounding medium effect on the vibrational and buckling behaviour of these embedded carbon-based nanostructures have been studied systematically. Regarding NWs and NW@CNTs, the effects of surface elasticity and residual surface stress on the stiffness, vibration and buckling of these nano structured materials are investigated using Euler-Bernoulli and Timoshenko beam models to reveal their size-dependent properties. The vdW interactions between the NW and CNT at the interface of NW@CNT are accurately described by using the cohesive Law. Effects of axial load, size, boundary conditions and mode shape number on the vibration and buckling of above mentioned nanostructures are discussed in detail. The quantitative and parametric analysis in this study may contribute to a better understanding on the mechanical behaviour of these nanostructures, thus leading to a better design in real applications.

Modeling of Carbon Nanotubes, Graphene and their Composites

Modeling of Carbon Nanotubes, Graphene and their Composites
Author : Konstantinos I. Tserpes,Nuno Silvestre
Publisher : Springer Science & Business Media
Release Date : 2013-10-15
Category : Science
Total pages :332
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A large part of the research currently being conducted in the fields of materials science and engineering mechanics is devoted to carbon nanotubes and their applications. In this process, modeling is a very attractive investigation tool due to the difficulties in manufacturing and testing of nanomaterials. Continuum modeling offers significant advantages over atomistic modeling. Furthermore, the lack of accuracy in continuum methods can be overtaken by incorporating input data either from experiments or atomistic methods. This book reviews the recent progress in continuum modeling of carbon nanotubes and their composites. The advantages and disadvantages of continuum methods over atomistic methods are comprehensively discussed. Numerical models, mainly based on the finite element method, as well as analytical models are presented in a comparative way starting from the simulation of isolated pristine and defected nanotubes and proceeding to nanotube-based composites. The ability of continuum methods to bridge different scales is emphasized. Recommendations for future research are given by focusing on what still continuum methods have to learn from the nano-scale. The scope of the book is to provide current knowledge aiming to support researchers entering the scientific area of carbon nanotubes to choose the appropriate modeling tool for accomplishing their study and place their efforts to further improve continuum methods.

Mechanics of Nanomaterials

Mechanics of Nanomaterials
Author : Mohamed Ibrahim
Publisher : Unknown
Release Date : 2017
Category :
Total pages :486
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In this Dissertation, the fundamentals of mechanics of nanomaterials in micro/nano-scale applications are established and discussed. Because nanomaterials are distinguished with unique material structures and characteristics, nanomaterials reflect unique mechanics in various applications. The mechanics of nanomaterials differs from the conventional mechanics of materials in the need to incorporate special measures that can capture the material's mechanics as a function of the material structure and the material size. Therefore, new experimental and theoretical models should be developed to give the crucial understanding of the physics of the mechanics of nanomaterials. In this Dissertation, we harness the fundamental laws of continuum mechanics, materials science, solid state physics, and lattice dynamics to understand and model the mechanics of nanomaterials in small-scale applications. In the first part of this Dissertation, the essential aspects that should be considered when developing models for the mechanics of nanomaterials are determined and discussed. In addition, the models and theories that have the merits of representing the mechanics of nanomaterials are derived and developed. To guarantee accurate modeling of the mechanics of nanomaterials, these models and theories incorporate measures that capture the material structure and size effects. In the second part, models are proposed for nanomaterials characterization. Micromechanical models are developed for nanostructured materials. In the context of these models, the effective elastic properties of nanostructured materials are related to the size of the nanoinhomogeneities forming their material structures. These models are then harnessed to report the elastic properties of nanocrystalline materials including diamond, silicon, copper, aluminum, silver, gold, and platinum when decreasing the grain average size from 200 nm to 2 nm, for the first time. The experimental observations for the degradations in the elastic properties of nanocrystalline materials are captured by the developed micromechanics models. Moreover, continuum models for the materials dispersions are developed for single crystalline nanomaterials. These models are used to report the elastic properties of diamond, graphite, silicon, copper, silver, gold, platinum, barium oxide, lithium deuteride, lithium hydride, magnesium lead, magnesium stannide, and nickel oxide single nanocrystals. In the third part, the developed fundamentals, theories, and models are harnessed to represent the mechanics of nanomaterials in selected potential micro-/nano-scale applications. First, the sensitives and resolutions of carbon nanotubes-based mechanical resonators are reported for mass sensing applications. Second, the nonlinear dynamics of electrostatically actuated micro/nano-resonators made of functionally graded materials and nanocrystalline materials are modeled and investigated. Third, the elastic and the buckling characteristics of nanobeams and nanowires are reported. This dissertation creates a benchmark for future studies on nanomaterials and their mechanics.

Molecular Modelling and Synthesis of Nanomaterials

Molecular Modelling and Synthesis of Nanomaterials
Author : Ihsan Boustani
Publisher : Springer Nature
Release Date : 2020-07-14
Category : Technology & Engineering
Total pages :594
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This book presents nanomaterials as predicted by computational modelling and numerical simulation tools, and confirmed by modern experimental techniques. It begins by summarizing basic theoretical methods, then giving both a theoretical and experimental treatment of how alkali metal clusters develop into nanostructures, as influenced by the cluster's "magic number" of atoms. The book continues with a discussion of atomic clusters and nanostructures, focusing primarily on boron and carbon, exploring, in detail, the one-, two-, and three-dimensional structures of boron and carbon, and describing their myriad potential applications in nanotechnology, from nanocoating and nanosensing to nanobatteries with high borophene capacity. The broad discussion of computational modelling as well as the specific applications to boron and carbon, make this book an essential reference resource for materials scientists in this field of research.

Introduction to Graphene-Based Nanomaterials

Introduction to Graphene-Based Nanomaterials
Author : Luis E. F. Foa Torres,Stephan Roche,Jean-Christophe Charlier
Publisher : Cambridge University Press
Release Date : 2014-01-23
Category : Science
Total pages :421
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A detailed primer describing the most effective theoretical and computational methods and tools for simulating graphene-based systems.

Carbon-Based Nanoelectromagnetics

Carbon-Based Nanoelectromagnetics
Author : Antonio Maffucci,Sergey Maksimenko,Yuri Svirko
Publisher : Elsevier
Release Date : 2019-06-08
Category : Science
Total pages :270
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Carbon-Based Nanoelectromagnetics provides detailed insights into the electromagnetic interactions of carbon-based nanostructured materials such as graphene and carbon nanotubes. Chapters within the book offer a comprehensive overview on this discipline, starting with an introduction to the field-matter interaction, its features, and finally, its applications in microwave, THz and optical frequency ranges. Electromagnetics at the nanoscale level has become a major research area in recent years as the synthesis of a variety of carbon-based nanostructures has progressed dramatically, thus opening the era of nanoelectronics and nanophotonics. To meet the challenges of these new fields, a thorough knowledge is required of the peculiar properties of the electromagnetic field. The novel behavior of the electromagnetic fields interacting with nano-sized elements and nano-structured has motivated the birth of this new research discipline, ‘Nanoelectromagnetics’. Presents a one-stop resource that explores the emerging field of nanoelectromagnetics Focuses on modeling, simulation, analysis, design and characterization, with an emphasis on applications of nanoelectromagnetics Explores the optical properties and applications of a range of carbon-based nanomaterials

Structure and Multiscale Mechanics of Carbon Nanomaterials

Structure and Multiscale Mechanics of Carbon Nanomaterials
Author : Oskar Paris
Publisher : Springer
Release Date : 2015-11-26
Category : Technology & Engineering
Total pages :226
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This book provides a broad overview on the relationship between structure and mechanical properties of carbon nanomaterials from world-leading scientists in the field. The main aim is to get an in-depth understanding of the broad range of mechanical properties of carbon materials based on their unique nanostructure and on defects of several types and at different length scales. Besides experimental work mainly based on the use of (in-situ) Raman and X-ray scattering and on nanoindentation, the book also covers some aspects of multiscale modeling of the mechanics of carbon nanomaterials.

Electron Emission from Nanostructured Materials

Electron Emission from Nanostructured Materials
Author : Abdelilah Safir
Publisher : Unknown
Release Date : 2010
Category : Nanostructured materials
Total pages :324
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In this dissertation, standardized methods for measuring electron emission (EE) from nanostructured materials are established. Design of an emitter array platform, synthesis and nanomanipulation of different types of are successfully conducted. Preexisting as well as novel nanostructures are examined for possible use as electron point sources. Three main categories of emitters are under evaluation: oxide nanowires, metallic nanowires and carbon based nanomaterials (CBNs). Tungsten oxides nanowires have low work function, then metallic nanowires have high electrical conductivity and abundant number of free electrons at and below their Fermi level and lastly, CBNs have superior electrical, mechanical, chemical and thermal properties. This evaluation is designed to compare and choose among the nanoemitters that are suitable for EE. Simulation through theoretical modeling is provided to optimize the parameters directly or indirectly affecting EE properties. The models are to enhance the emitter's performance through increase the packing density, reduce the field screening effect, lower the turn-on and the threshold electric fields and increase the emission current densities. The current estimations and the modeling of the validity regions where EE types theoretically exist, help to select and fabricate optimum emitters. An assembly consisting of sample substrate, electrical feedthroughs, electrodes, nano/micro-manipulator and insulators are mounted within a vacuum chamber. An ion vacuum pump and a turbo pump are used to reach a vacuum pressure of 10−7 Torr. Two systems are used for EE characterization of nanostructures: bulk and In-situ configurations. The bulk investigation is realized by designing a vacuum chamber and different sample holders that can resist harsh environment as well as high temperature for both FE and TE experiments. In-situ experiments are conducted in the chamber of the scanning electron microscope (SEM), it consists of designing special sample holders plus modifications of the SEM chamber for the ease of EE characterization. Samples with different materials, densities, radii of curvatures, and lengths ranging respectively from 107-109 emitter/cm2, 5-300 nm, and 3*103-107 nm, are produced. The CBNs used are characterized by different structures and shapes that are defined by the monolayer carbon sheet takes. Cylindrical sheets are equivalent to nanotubes while graphene are flat sheets. Emitter's structures are varied by altering the critical growth parameters such as temperature, pressure and constituent materials. Enhancement of the FE properties, the design of an optimum emitter density ad reduction of the field screening effect is possible by selecting appropriate materials, synthesizing nanostructures with small radius (10 nm), high aspect ratio (greater than 1000), the ideal density where the inter-emitter distance is comparable to the emitter height, the cathodes' uniformity, the treatment of the emitting surface, and integrating triode arrangement. Initially, the thermionic Emission (TE) investigations of these nanostructures produce emission at an onset temperature of 500 C, current densities of 160 mA/cm2 at temperatures of 700-1200°c and predict the work function of the emitting materials. In addition, nanostructures can enhance the local electric field and increase the packing density to produce better EE properties. Then, FE investigations from different nanostructures showed that the small tip's diameter, high aspect ratio and tapered structures enhance emission through low turn-on fields (0.8 Vum), low threshold fields (3 V/um) and high current densities (520 mA/cm2). CCNTs having inter-emitters distance comparable to their average height contribute to the reduction of the field screening effect through large field enhancement factor ß (7000) and enhancement of the EE properties. EE experimental data along with its analysis demonstrate that CBNs have lower turn-on electric field, lower threshold fields, higher current density and higher field enhancement factor than those of microscopic metallic cathodes and oxide nanowires. Therefore, nanomaterial based emitters with their superior intrinsic properties based on the achieved EE results can be turned into potential EE point sources.

Computer Modeling in Engineering & Sciences

Computer Modeling in Engineering & Sciences
Author : Anonim
Publisher : Unknown
Release Date : 2009
Category : Computer simulation
Total pages :129
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Carbon Based Magnetism

Carbon Based Magnetism
Author : Tatiana Makarova,Fernando Palacio
Publisher : Elsevier
Release Date : 2006-01-16
Category : Science
Total pages :576
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Carbon Based Magnetism is the most complete, detailed, and accurate guide on the magnetism of carbon, the main element of living creatures. Written by the leading experts in the field, the book provides a comprehensive review of relevant experimental data and theoretical concepts related to the magnetism of metal-free carbon systems. These systems include carbon based compounds, namely organic radical magnetic systems, and magnetic materials based on carbon structures. The aim is to advance the understanding of the fundamental properties of carbon. This volume discusses all major modern hypotheses on the physical nature of magnetic ordering in carbon systems. The first chapters deal with magnetic ordering mechanisms in p-electron systems as well as molecular magnets with spins residing only in p-orbitals. The following chapters explore the magnetic properties of pure carbon, with particular emphasis on nanosized carbon systems with closed boundary (fullerenes and nanotubes) and with open boundary (structures with edge-localized magnetic states). The remaining chapters focus on newer topics: experimental observation and theoretical models for magnetic ordering above room temperature in pure carbon. The book also includes twenty three review articles that summarize the most significant recent and ongoing exciting scientific developments and provide the explanation. It also highlights some problems that have yet to be solved and points out new avenues for research. This book will appeal to physicists, chemists and biologists. The most complete, detailed, and accurate Guide in the magnetism of carbon Dynamically written by the leading experts Deals with recent scientific highlights Gathers together chemists and physicists, theoreticians and experimentalists Unified treatment rather than a series of individually authored papers Description of genuine organic molecular ferromagnets Unique description of new carbon materials with Curie temperatures well above ambient.

Modeling, Characterization, and Production of Nanomaterials

Modeling, Characterization, and Production of Nanomaterials
Author : Vinod K. Tewary,Y. Zhang
Publisher : Woodhead Pub Limited
Release Date : 2015-03-18
Category : Technology & Engineering
Total pages :554
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Nano-scale materials have unique electronic, optical, and chemical properties which make them attractive for a new generation of devices. Part one of Modeling, Characterization, and Production of Nanomaterials: Electronics, Photonics and Energy Applications covers modeling techniques incorporating quantum mechanical effects to simulate nanomaterials and devices, such as multiscale modeling and density functional theory. Part two describes the characterization of nanomaterials using diffraction techniques and Raman spectroscopy. Part three looks at the structure and properties of nanomaterials, including their optical properties and atomic behaviour. Part four explores nanofabrication and nanodevices, including the growth of graphene, GaN-based nanorod heterostructures and colloidal quantum dots for applications in nanophotonics and metallic nanoparticles for catalysis applications. Comprehensive coverage of the close connection between modeling and experimental methods for studying a wide range of nanomaterials and nanostructures Focus on practical applications and industry needs, supported by a solid outlining of theoretical background Draws on the expertise of leading researchers in the field of nanomaterials from around the world