Graphene Simulation PDF Download

Author: Jian Ru Gong
Publisher: BoD – Books on Demand
ISBN: 9533075562
Category : Science
Languages : en
Pages : 390

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Book Description
Graphene, a conceptually new class of materials in condensed-matter physics, has been the interest of many theoretical studies due to the extraordinary thermal, mechanical and electrical properties for a long time. This book is a collection of the recent theoretical work on graphene from many experts, and will help readers to have a thorough and deep understanding in this fast developing field.

Author: Constantinos A. Charitidis
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110479133
Category : Technology & Engineering
Languages : en
Pages : 194

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Book Description
Presents technologies and key concepts to produce suitable smart materials and intelligent structures for sensing, information and communication technology, biomedical applications (drug delivery, hyperthermia therapy), self-healing, flexible memories and construction technologies. Novel developments of environmental friendly, cost-effective and scalable production processes are discussed by experts in the field.

Author: Kun Zhou
Publisher: Academic Press
ISBN: 0128166169
Category : Technology & Engineering
Languages : en
Pages : 375

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Book Description
Molecular Dynamic Simulation: Fundamentals and Applications explains the basic principles of MD simulation and explores its recent developments and roles in advanced modeling approaches. The implementation of MD simulation and its application to various aspects of materials science and engineering including mechanical, thermal, mass transportation, and physical/chemical reaction problems are illustrated. Innovative modeling techniques that apply MD to explore the mechanics of typical nanomaterials and nanostructures and to characterize crystalline, amorphous, and liquid systems are also presented. The rich research experience of the authors in MD simulation will ensure that the readers are provided with both an in-depth understanding of MD simulation and clear technical guidance. - Provides a comprehensive overview of the underlying theories of molecular dynamics (MD) simulation - Presents application-based examples pertaining to a broad range of mechanical, thermal, and mass transport problems - Explores innovative modeling techniques for simulating typical nanomaterials and nanostructures and for characterizing crystalline, amorphous, and liquid systems

Author: Jia Fu
Publisher: BoD – Books on Demand
ISBN: 1838802010
Category : Computers
Languages : en
Pages : 180

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Book Description
Multiscale simulations of atomistic/continuum coupling in computational materials science, where the scale expands from macro-/micro- to nanoscale, has become a hot research topic. These small units, usually nanostructures, are commonly anisotropic. The development of molecular modeling tools to describe and predict the mechanical properties of structures reveals an undeniable practical importance. Typical anisotropic structures (e.g. cubic, hexagonal, monoclinic) using DFT, MD, and atomic finite element methods are especially interesting, according to the modeling requirement of upscaling structures. It therefore connects nanoscale modeling and continuous patterns of deformation behavior by identifying relevant parameters from smaller to larger scales. These methodologies have the prospect of significant applications. I would like to recommend this book to both beginners and experienced researchers.

Author: Yaser M. Banadaki
Publisher: CRC Press
ISBN: 0429666594
Category : Science
Languages : en
Pages : 210

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Book Description
Tremendous innovations in electronics and photonics over the past few decades have resulted in the downsizing of transistors in integrated circuits, which are now approaching atomic scales. This will soon result in the creation of a growing knowledge gap between the underlying technology and state-of-the-art electronic device modeling and simulations. This book bridges the gap by presenting cutting-edge research in the computational analysis and mathematical modeling of graphene nanostructures as well as the recent progress on graphene transistors for nanoscale circuits. It inspires and educates fellow circuit designers and students in the field of emerging low-power and high-performance circuit designs based on graphene. While most of the books focus on the synthesis, fabrication, and characterization of graphene, this book shines a light on graphene models and their circuit simulations and applications in photonics. It will serve as a textbook for graduate-level courses in nanoscale electronics and photonics design and appeal to anyone involved in electrical engineering, applied physics, materials science, or nanotechnology research.

Author: Sidney Yip
Publisher: Springer Science & Business Media
ISBN: 1402097417
Category : Science
Languages : en
Pages : 396

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Book Description
Although computational modeling and simulation of material deformation was initiated with the study of structurally simple materials and inert environments, there is an increasing demand for predictive simulation of more realistic material structure and physical conditions. In particular, it is recognized that applied mechanical force can plausibly alter chemical reactions inside materials or at material interfaces, though the fundamental reasons for this chemomechanical coupling are studied in a material-speci c manner. Atomistic-level s- ulations can provide insight into the unit processes that facilitate kinetic reactions within complex materials, but the typical nanosecond timescales of such simulations are in contrast to the second-scale to hour-scale timescales of experimentally accessible or technologically relevant timescales. Further, in complex materials these key unit processes are “rare events” due to the high energy barriers associated with those processes. Examples of such rare events include unbinding between two proteins that tether biological cells to extracellular materials [1], unfolding of complex polymers, stiffness and bond breaking in amorphous glass bers and gels [2], and diffusive hops of point defects within crystalline alloys [3].

Author: Frederik Tielens
Publisher: MDPI
ISBN: 3039361945
Category : Technology & Engineering
Languages : en
Pages : 166

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Book Description
Introducing the interdisciplinary field of interface chemistry modelling across a wide range of academic disciplines and industry sectors. Ten original research articles are presented that bridge knowledge acquisition and practical work, providing a starting point for the research and development of applications. The book describes the characterization of interfaces at the nanoscale, using a wide range of key nanomaterials, such as graphene, TiO2, zeolites, semimetals, and organic polymers; and the study of their different physical chemical properties, such as catalysis, adsorption, friction, diffusion, and the characterization of nanocomposites and heterojunctions, with many different industrial applications. The resulting collection of papers is equally relevant for advanced students (senior and graduate) and for engineers and scientists from a variety of different academic backgrounds working in the multidisciplinary field of nanotechnology.

Author: Eui-Hyeok Yang
Publisher: Elsevier
ISBN: 0128184760
Category : Technology & Engineering
Languages : en
Pages : 502

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Book Description
Synthesis, Modelling and Characterization of 2D Materials and Their Heterostructures provides a detailed discussion on the multiscale computational approach surrounding atomic, molecular and atomic-informed continuum models. In addition to a detailed theoretical description, this book provides example problems, sample code/script, and a discussion on how theoretical analysis provides insight into optimal experimental design. Furthermore, the book addresses the growth mechanism of these 2D materials, the formation of defects, and different lattice mismatch and interlayer interactions. Sections cover direct band gap, Raman scattering, extraordinary strong light matter interaction, layer dependent photoluminescence, and other physical properties. - Explains multiscale computational techniques, from atomic to continuum scale, covering different time and length scales - Provides fundamental theoretical insights, example problems, sample code and exercise problems - Outlines major characterization and synthesis methods for different types of 2D materials

Author: Ahmadi, Mohammad Taghi
Publisher: IGI Global
ISBN: 152250737X
Category : Technology & Engineering
Languages : en
Pages : 601

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Book Description
Nanoelectronics are a diverse set of materials and devices that are so small that quantum mechanics need to be applied to their function. The possibilities these devices present outweigh the difficulties associated with their development, as biosensors and similar devices have the potential to vastly improve our technological reach. The Handbook of Research on Nanoelectronic Sensor Modeling and Applications begins with an introduction of the fundamental concepts of nanoelectronic sensors, then proceeds to outline in great detail the concepts of nanoscale device modeling and nanoquantum fundamentals. Recent advances in the field such as graphene technology are discussed at length in this comprehensive handbook, ideal for electrical engineers, advanced engineering students, researchers, and academics.

Author: Homayoun Hadavinia
Publisher: MDPI
ISBN: 3039286323
Category : Technology & Engineering
Languages : en
Pages : 130

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Book Description
This Special Issue gathers research from different branches of science and engineering disciplines working on experiments and modelling of nanocomposites into one volume. The Guest Editor welcomes papers dedicated to experimental, computational, and theoretical aspects dealing with many important state-of-the-art technologies and methodologies regarding the synthesis, fabrication, characterization, properties, design, and applications, and both finite element analysis and molecular dynamic simulations, of nanocomposite materials and structures. Full papers covering novel topics, extending the frontiers of the science and technology of nanoreinforced composites are encouraged. Reviews covering topics of major interest will be also considered.