Computational Modelling Of Nanomaterials
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Computational Modelling Of Nanomaterials
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Author : Panagiotis Grammatikopoulos
language : en
Publisher: Elsevier
Release Date : 2020-09-30
Computational Modelling Of Nanomaterials written by Panagiotis Grammatikopoulos and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-09-30 with Technology & Engineering categories.
Due to their small size and their dependence on very fast phenomena, nanomaterials are ideal systems for computational modelling. This book provides an overview of various nanosystems classified by their dimensions: 0D (nanoparticles, QDs, etc.), 1D (nanowires, nanotubes), 2D (thin films, graphene, etc.), 3D (nanostructured bulk materials, devices). Fractal dimensions, such as nanoparticle agglomerates, percolating films and combinations of materials of different dimensionalities are also covered (e.g. epitaxial decoration of nanowires by nanoparticles, i.e. 0D+1D nanomaterials). For each class, the focus will be on growth, structure, and physical/chemical properties. The book presents a broad range of techniques, including density functional theory, molecular dynamics, non-equilibrium molecular dynamics, finite element modelling (FEM), numerical modelling and meso-scale modelling. The focus is on each method's relevance and suitability for the study of materials and phenomena in the nanoscale. This book is an important resource for understanding the mechanisms behind basic properties of nanomaterials, and the major techniques for computational modelling of nanomaterials. - Explores the major modelling techniques used for different classes of nanomaterial - Assesses the best modelling technique to use for each different type of nanomaterials - Discusses the challenges of using certain modelling techniques with specific nanomaterials
Computational Modelling Of Nanoparticles
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Author : Stefan T. Bromley
language : en
Publisher: Elsevier
Release Date : 2018-09-12
Computational Modelling Of Nanoparticles written by Stefan T. Bromley and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-09-12 with Science categories.
Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. - Explores how computational modelling can be successfully applied at the nanoscale level - Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters - Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications
Molecular Modelling And Synthesis Of Nanomaterials
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Author : Ihsan Boustani
language : en
Publisher: Springer Nature
Release Date : 2020-07-14
Molecular Modelling And Synthesis Of Nanomaterials written by Ihsan Boustani and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-07-14 with Technology & Engineering categories.
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.
Computational Nanotechnology
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Author : Sarhan M. Musa
language : en
Publisher: CRC Press
Release Date : 2011-07-26
Computational Nanotechnology written by Sarhan M. Musa and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-07-26 with Science categories.
Applications of nanotechnology continue to fuel significant innovations in areas ranging from electronics, microcomputing, and biotechnology to medicine, consumer supplies, aerospace, and energy production. As progress in nanoscale science and engineering leads to the continued development of advanced materials and new devices, improved methods of modeling and simulation are required to achieve a more robust quantitative understanding of matter at the nanoscale. Computational Nanotechnology: Modeling and Applications with MATLAB® provides expert insights into current and emerging methods, opportunities, and challenges associated with the computational techniques involved in nanoscale research. Written by, and for, those working in the interdisciplinary fields that comprise nanotechnology—including engineering, physics, chemistry, biology, and medicine—this book covers a broad spectrum of technical information, research ideas, and practical knowledge. It presents an introduction to computational methods in nanotechnology, including a closer look at the theory and modeling of two important nanoscale systems: molecular magnets and semiconductor quantum dots. Topics covered include: Modeling of nanoparticles and complex nano and MEMS systems Theory associated with micromagnetics Surface modeling of thin films Computational techniques used to validate hypotheses that may not be accessible through traditional experimentation Simulation methods for various nanotubes and modeling of carbon nanotube and silicon nanowire transistors In regard to applications of computational nanotechnology in biology, contributors describe tracking of nanoscale structures in cells, effects of various forces on cellular behavior, and use of protein-coated gold nanoparticles to better understand protein-associated nanomaterials. Emphasizing the importance of MATLAB for biological simulations in nanomedicine, this wide-ranging survey of computational nanotechnology concludes by discussing future directions in the field, highlighting the importance of the algorithms, modeling software, and computational tools in the development of efficient nanoscale systems.
Computational Modeling Of Inorganic Nanomaterials
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Author : Stefan T. Bromley
language : en
Publisher: CRC Press
Release Date : 2016-01-15
Computational Modeling Of Inorganic Nanomaterials written by Stefan T. Bromley and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-01-15 with Science categories.
Offering a detailed summary of available modeling methods, both “top-down” and “bottom-up”, this book offers systematic coverage of the use of modeling in the development and application of inorganic nano-materials in industry including sensors, optics, biotechnology, and solar cells. It provides readers with the necessary information to choose the right models and methods for describing particular physical and chemical properties of inorganic materials at varying length scales. Sections include Structure and Dimensionality; Thermodynamics and Nucleation; Magnetic, Optical, and Electronic and Transport Properties; and Case Studies.
Computational Finite Element Methods In Nanotechnology
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Author : Sarhan M. Musa
language : en
Publisher: CRC Press
Release Date : 2017-12-19
Computational Finite Element Methods In Nanotechnology written by Sarhan M. Musa and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-12-19 with Science categories.
Computational Finite Element Methods in Nanotechnology demonstrates the capabilities of finite element methods in nanotechnology for a range of fields. Bringing together contributions from researchers around the world, it covers key concepts as well as cutting-edge research and applications to inspire new developments and future interdisciplinary research. In particular, it emphasizes the importance of finite element methods (FEMs) for computational tools in the development of efficient nanoscale systems. The book explores a variety of topics, including: A novel FE-based thermo-electrical-mechanical-coupled model to study mechanical stress, temperature, and electric fields in nano- and microelectronics The integration of distributed element, lumped element, and system-level methods for the design, modeling, and simulation of nano- and micro-electromechanical systems (N/MEMS) Challenges in the simulation of nanorobotic systems and macro-dimensions The simulation of structures and processes such as dislocations, growth of epitaxial films, and precipitation Modeling of self-positioning nanostructures, nanocomposites, and carbon nanotubes and their composites Progress in using FEM to analyze the electric field formed in needleless electrospinning How molecular dynamic (MD) simulations can be integrated into the FEM Applications of finite element analysis in nanomaterials and systems used in medicine, dentistry, biotechnology, and other areas The book includes numerous examples and case studies, as well as recent applications of microscale and nanoscale modeling systems with FEMs using COMSOL Multiphysics® and MATLAB®. A one-stop reference for professionals, researchers, and students, this is also an accessible introduction to computational FEMs in nanotechnology for those new to the field.
Computational Modeling Of Inorganic Nanomaterials
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Author : Stefan T. Bromley
language : en
Publisher: CRC Press
Release Date : 2016-04-06
Computational Modeling Of Inorganic Nanomaterials written by Stefan T. Bromley and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-04-06 with Science categories.
Computational Modeling of Inorganic Nanomaterials provides an accessible, unified introduction to a variety of methods for modeling inorganic materials as their dimensions approach the nanoscale. With contributions from a team of international experts, the book guides readers on choosing the most appropriate models and methods for studying the stru
Towards Efficient Designing Of Safe Nanomaterials
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Author : Jerzy Leszczynski
language : en
Publisher: Royal Society of Chemistry
Release Date : 2012-09-30
Towards Efficient Designing Of Safe Nanomaterials written by Jerzy Leszczynski and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-09-30 with Science categories.
The expanding field of nanotechnology is now one of the most promising areas of science. However, because some nanoparticles can have a negative impact on human health and the environment, the design of novel materials must always be accompanied by a comprehensive risk assessment. Until now, the information on the methods available has been fragmented and incomplete. This book is the first to provide a comprehensive review of recent progress and challenges in the risk assessment of nanomaterials by empirical and computational techniques. Topics covered include: benefits versus risks, carbon based nanomaterials, environmental detection and quantitative analysis, chemometric modelling, human exposure assessment, toxicity testing, nano-QSAR, risk assessment strategies, policy and regulatory frameworks.
Low Dimensional And Nanostructured Materials And Devices
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Author : Hilmi Ünlü
language : en
Publisher: Springer
Release Date : 2015-12-01
Low Dimensional And Nanostructured Materials And Devices written by Hilmi Ünlü and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-12-01 with Science categories.
This book focuses on the fundamental phenomena at nanoscale. It covers synthesis, properties, characterization and computer modelling of nanomaterials, nanotechnologies, bionanotechnology, involving nanodevices. Further topics are imaging, measuring, modeling and manipulating of low dimensional matter at nanoscale. The topics covered in the book are of vital importance in a wide range of modern and emerging technologies employed or to be employed in most industries, communication, healthcare, energy, conservation , biology, medical science, food, environment, and education, and consequently have great impact on our society.
Introduction To Graphene Based Nanomaterials
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Author : Luis E. F. Foa Torres
language : en
Publisher: Cambridge University Press
Release Date : 2014-01-23
Introduction To Graphene Based Nanomaterials written by Luis E. F. Foa Torres and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-23 with Science categories.
A detailed primer describing the most effective theoretical and computational methods and tools for simulating graphene-based systems.