Characterization And Modification Of Graphene Based Interfacial Mechanical Behavior
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Characterization And Modification Of Graphene Based Interfacial Mechanical Behavior
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Author : Guorui Wang
language : en
Publisher: Springer Nature
Release Date : 2020-08-21
Characterization And Modification Of Graphene Based Interfacial Mechanical Behavior written by Guorui Wang and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-08-21 with Technology & Engineering categories.
This thesis shares new findings on the interfacial mechanics of graphene-based materials interacting with rigid/soft substrate and with one another. It presents an experimental platform including various loading modes that allow nanoscale deformation of atomically thin films, and a combination of atomic force microscopy (AFM) and Raman spectroscopy that allows both displacement and strain to be precisely measured at microscale. The thesis argues that the rich interfacial behaviors of graphene are dominated by weak van der Waals force, which can be effectively modulated using chemical strategies. The continuum theories are demonstrated to be applicable to nano-mechanics and can be used to predict key parameters such as shear/friction and adhesion. Addressing key interfacial mechanics issues, the findings in thesis not only offer quantitative insights in the novel features of friction and adhesion to be found only at nanoscale, but will also facilitate the deterministic design of high-performance graphene-based nanodevices and nanocomposites.
Handbook Of Graphene Volume 4
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Author : Cengiz Ozkan
language : en
Publisher: John Wiley & Sons
Release Date : 2019-06-28
Handbook Of Graphene Volume 4 written by Cengiz Ozkan and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-06-28 with Technology & Engineering categories.
The fourth volume in a series of handbooks on graphene research and applications The Handbook of Graphene, Volume 4: Composites looks at composite materials exclusively. Topics covered include graphene composites and graphene-reinforced advanced composite materials. The following graphene-based subjects are discussed: ceramic composites; composite nanostructures; composites with shape memory effect; and scroll structures. Chapters also address: the fabrication and properties of copper graphene composites; graphene metal oxide composite as an anode material in li-ion batteries; supramolecular graphene-based systems for drug delivery; and other graphene-related areas of interest to scientists and researchers.
First Principles Based Atomistic Modeling Of The Interfacial Microstructure And Capacitance Of Graphene
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Author : Eunsu Paek
language : en
Publisher:
Release Date : 2012
First Principles Based Atomistic Modeling Of The Interfacial Microstructure And Capacitance Of Graphene written by Eunsu Paek and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with categories.
Graphene has been extensively studied for possible future technical applications due to its unique electronic, transport, and mechanical properties. For practical applications, graphene often needs to be placed in a medium or on a substrate. The interfacial interaction between graphene and other materials can greatly affect the performance of graphene-based devices, but has not been well explored. My thesis research focused on developing a better understanding of the interface of pristine and chemically/mechanically modified graphene sheets with ionic liquids (ILs) as well as amorphous silica (a-SiO2) surfaces using first principles-based atomistic modeling which combines density functional theory, classical molecular dynamics, and Metropolis Monte Carlo. The major focus of my thesis research was on investigating the interfacial structure and capacitance between graphene and ILs; graphene-based materials and ILs have been regarded as viable candidates for supercapacitor electrodes and electrolytes, respectively. Particular emphasis was placed on elucidating the relative contributions of the electric double layer (EDL) capacitance at the graphene/IL interface and the quantum capacitance of graphene-like electrodes. More specifically, we first determined the microstructure (such as orientation, packing density, cation-anion segregation) of chosen ILs near planar graphene electrodes with various surface charge densities. Based on the calculated IL microstructure for each system, the EDL capacitance was then evaluated with particular attention to the effect of cation-anion size difference. We also examined the influence of the chemical and mechanical modifications of graphene-like electrodes on the supercapacitor performance. Especially, mechanisms underlying chemical doping-induced enhancement of the total interfacial capacitance were addressed through analysis of electrode quantum capacitance changes resulting from electronic structure modifications. A part of my effort was also devoted to examining the binding interaction of graphene with a-SiO2 (which is not yet clearly understood despite its scientific and technological importance). In particular, we attempted to evaluate quantitatively the adsorption strength of graphene on the a-SiO2 surface, which has been under debate mainly due to the difficulty of direct measurement.
Innovations In Graphene Based Polymer Composites
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Author : Sanjay Mavinkere Rangappa
language : en
Publisher: Woodhead Publishing
Release Date : 2022-06-15
Innovations In Graphene Based Polymer Composites written by Sanjay Mavinkere Rangappa and has been published by Woodhead Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-06-15 with Technology & Engineering categories.
Innovations in Graphene-Based Polymer Composites reviews recent developments in this important field of research. The book's chapters focus on processing methods, functionalization, mechanical, electrical and thermal properties, applications and life cycle assessment. Leading researchers from industry, academia and government research institutions from across the globe have contributed to the book, making it a valuable reference resource for materials scientists, academic researchers and industrial engineers working on recent developments in the area of graphene-based materials, graphene-based polymer blends and composites. Readers will gain insights into what has been explored to-date, along with associated benefits and challenges for the future. Presents a strong emphasis on synthesis methods, functionalization, processing and properties Includes chapters on characterization, electrical conductivity and modeling and simulation Provides recent advances in applications, including drawbacks and future scope
Innovations In Graphene Based Polymer Composites
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Author : Sanjay Mavinkere Rangappa
language : en
Publisher: Elsevier
Release Date : 2022-06-17
Innovations In Graphene Based Polymer Composites written by Sanjay Mavinkere Rangappa and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-06-17 with Technology & Engineering categories.
Innovations in Graphene-Based Polymer Composites reviews recent developments in this important field of research. The book's chapters focus on processing methods, functionalization, mechanical, electrical and thermal properties, applications and life cycle assessment. Leading researchers from industry, academia and government research institutions from across the globe have contributed to the book, making it a valuable reference resource for materials scientists, academic researchers and industrial engineers working on recent developments in the area of graphene-based materials, graphene-based polymer blends and composites. Readers will gain insights into what has been explored to-date, along with associated benefits and challenges for the future. Presents a strong emphasis on synthesis methods, functionalization, processing and properties Includes chapters on characterization, electrical conductivity and modeling and simulation Provides recent advances in applications, including drawbacks and future scope
Handbook Of Graphene
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Author : Cengiz Ozkan
language : en
Publisher: John Wiley & Sons
Release Date : 2019-06-12
Handbook Of Graphene written by Cengiz Ozkan and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-06-12 with Technology & Engineering categories.
The fourth volume in a series of handbooks on graphene research and applications The Handbook of Graphene, Volume 4: Composites looks at composite materials exclusively. Topics covered include graphene composites and graphene-reinforced advanced composite materials. The following graphene-based subjects are discussed: ceramic composites; composite nanostructures; composites with shape memory effect; and scroll structures. Chapters also address: the fabrication and properties of copper–graphene composites; graphene–metal oxide composite as an anode material in li-ion batteries; supramolecular graphene-based systems for drug delivery; and other graphene-related areas of interest to scientists and researchers.
Molecular Dynamics Modeling And Characterization Of Graphene Polymer Nanocomposites
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Author : Rezwanur Rahman
language : en
Publisher:
Release Date : 2012
Molecular Dynamics Modeling And Characterization Of Graphene Polymer Nanocomposites written by Rezwanur Rahman and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Electronic dissertations categories.
The current work focuses on the characterization of graphene based nanocomposites using molecular dynamic simulation and multiscale modeling approaches. Both graphene-epoxy and graphene-cellulose nanocomposites were considered in this study. A hierarchical multiscale modeling approach has been proposed using peridynamics and molecular dynamics simulation. Firstly, the mechanical properties of crosslinked graphene/epoxy (G-Ep) nanocomposites were investigated by molecular mechanics (MM) and molecular dynamics (MD) simulations. The influence of graphene's weight concentration, aspect ratio and dispersion on stress-strain response and elastic properties were studied. The MD models were further analyzed through the radial distribution function (RDF), molecular energy and atom density. Both the amorphous and the layered structures of G-Ep nanocomposites were considered in order to study the effect of graphene dispersion on elastic properties. A polymer consistent force field (pcff) was used throughout the analysis. Each of the G-Ep system underwent an NVT (constant number of atoms, volume and temperature) and an NPT (constant number of atoms, pressure and temperature) based equilibration followed by finite deformation. The stress-strain responses were evaluated from MD simulations for both amorphous and layered-graphene unit cells in order to determine elastic constants. Moreover, MM was also used to calculate Young's modulus and shear modulus. The results show significant improvement in Young's modulus and shear modulus for the G-Ep system in comparison to the neat epoxy resin. It appears that the RDF, molecular energy and aspect ratios are influenced by both graphene concentrations and aspect ratios. The graphene concentrations in the range of 1-3% are seen to improve Young's modulus and shorter graphenes are observed to be more effective than larger ones. In addition, the dispersed graphene system is more promising in enhancing in-plane elastic modulus than the agglomerated graphene system. The cohesive and pullout forces versus displacements data were plotted under normal and shear modes in order to characterize interfacial properties. The cohesive force is significantly improved by attaching the graphene with a chemical bond at the graphene-epoxy interface. The elastic constants determined by molecular modeling showed a good agreement with the nanoindentation test results. In the second part of the work, cellulose was considered to study the mechanical properties of graphene-cellulose bionanocomposite. Multiple number of cellobiose repeat units were connected together to obtain long cellulose chains. Similar to the previous study, the effect of graphene's weight concentration, aspect ratio and dispersion was studied by considering the amorphous and the layered graphene-cellulose systems. Each unitcell was equilibrated using the NVT and NPT molecular dynamics. Uniaxial deformation was applied in order to obtain stress-strain response. The Young's modulii were calculated from the linear portion of the stress-strain responses. Similar to graphene-epoxy systems, the effect of graphene dispersion and agglomeration were studied in the stress-strain plots of graphene-cellulose system. A pcff forcefield was used to define intermolecular and intramolecular interactions. The effect of graphene's aspect ratio and weight concentration on the structural property of each unitcell was analyzed in terms of the radial distribution function (RDF), molecular energy, pairwise bond stretch and angle bending. The interfacial properties between graphene and cellulose were studied by analyzing both cohesive and pullout separation of graphene from cellulose matrix. Finally, the Young's modulii calculated from the MD simulation was compared with the tensile test data. The MD results showed a reasonable agreement with the tensile test results. It was addressed that incorporating graphane in cellulose matrix enhances the mechanical property of the cellulose based bio-polymer systems. In the third part of the work, a hierarchical multiscale modeling framework was established between peridynamics and molecular dynamics simulation using an intermediate coarse grained atomic model. The peridynamics formulation is based on continuum theory implying nonlocal force based interaction. It means, continuum points are separated by a finite distance and exert force upon each other. Peridynamics applies integral equations rather than partial differential equations as used in the classical continuum mechanics. Hence, the peridynamics (PD) and the molecular dynamics (MD) have similarities since both use a nonlocal force based interaction. In this work PD based continuum model of graphene-epoxy (G-Ep) nanocomposite is defined by the Lagrangian PD particles. Atomistic model is coupled with PD model through a hierarchical multiscale framework. The PD particles at a coarse scale interact with the fine scale PD particles by transferring pressure, displacements and velocities among each other. Based on the same hierarchical coupling method, a fine scale PD model is seamlessly interfaced with the atomistic model through an intermediate mesoscale region i.e. coarse-grain model. At the end of this hierarchical downscaling, the information such as the deformation, energy and other important parameters were captured in the atomistic region under the applied force at micro and macro regions. The change in atomistic domain is used to update the coarser PD models by introducing a hierarchical upscaling formulation. A simple two dimensional plate of neat epoxy was considered for a complete demonstration of such multiscale simulation platform. Displacements at different scales were analyzed in order to show the validity of the proposed multiscale model. Afterward, the model was applied to a graphene-epoxy plate with an edge crack. The region near the crack tip is interfaced with atomistic model by applying proposed hierarchical coupling method. The crack opening displacements were discussed at different scales. Finally, the multiscale framework was demonstrated with a 3D nanoindentation problem. The displacements at different scales during nanoindentation were compared. A benchmark analysis was also carried out to determine crack opening displacement (COD) in an edge cracked graphene sample using FEA, PD and MD simulation. The results showed good agreement between PD and MD simulation but FEA results addressed to have comparatively higher COD values. The results from peridynamic based framework for hierarchical multiscale modeling showed reasonable agreement between PD and atomistic models.
Graphene
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Author : George Wypych
language : en
Publisher: Elsevier
Release Date : 2024-01-03
Graphene written by George Wypych and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-01-03 with Technology & Engineering categories.
This new edition of Graphene: Important Results and Applications provides a succinct overview of this innovative material, its history and development, applications, future prospects, and challenges. This 2nd edition has been updated and expanded to include all the latest developments. It covers production of graphene and its derivatives, commercial manufacture of graphene, research results and data on its properties, graphene dispersion, chemical modification, and cutting-edge applications. Eleven groups of production methods of graphene and its derivatives are discussed at length, providing how-to-do and what-to-expect analysis and comparison of potential properties of the resultant products. Also included are ideas for new product development and possible improvement of existing products, as is insight into the unique nature of graphene and its types, including morphology and thickness, mechanical properties, electrical conductivity, elastic properties of 2D and 3D structures, and more. Provides an extensive account of the latest research in methods of production of graphene and its derivatives Covers commercial manufacture, research results, property data, and cutting-edge applications Discusses methods of incorporation in graphene products, chemical modifications, and projected future uses
Graphene
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Author : Viera Skakalova
language : en
Publisher: Woodhead Publishing
Release Date : 2021-06-23
Graphene written by Viera Skakalova and has been published by Woodhead Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-06-23 with Technology & Engineering categories.
Graphene: Properties, Preparation, Characterization and Devices, Second Edition, provides a comprehensive look at the methods used to prepare and analyze graphene. Since the first edition’s publication, there have been many advances in the understanding of graphene, in particular, its key properties and most relevant applications. Updates to this new edition include chapters on liquid exfoliation production of graphene and scanning transmission electron microscopy of graphene. New sections cover graphene's thermal, optical, mechanical, chemical and biocompatibility, with special attention paid to transport properties, a main barrier to the realization of commercial applications. Reviews the preparation and characterization of graphene, covering the latest advances in liquid exfoliation production and the scanning transmission electron microscopy of graphene Includes a new section dedicated to the properties of graphene (thermal, transport, optical, mechanical, chemical) to reflect the latest understanding of this important material Discusses the most relevant applications of graphene, such as biomedical, sensing, energy and electronic applications
Graphene Rubber Nanocomposites
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Author : Titash Mondal
language : en
Publisher: CRC Press
Release Date : 2022-10-24
Graphene Rubber Nanocomposites written by Titash Mondal and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-10-24 with Technology & Engineering categories.
Provides up-to-date information and research on graphene-rubber nanocomposites Presents a detailed account of the different niche applications ranging from sensors, flexible electronics to thermal, and EMI shielding materials Offers a comprehensive know-how on the structure-property relationship of graphene-rubber nanocomposites Covers the characterization of graphene-based elastomeric composition Delivers a comprehensive understanding of the structure of the graphene, including its chemical modification for usage in elastomer composites