Computational Modelling of Nanomaterials

Book Computational Modelling of Nanomaterials Cover

Read or download book entitled Computational Modelling of Nanomaterials written by Panagiotis Grammatikopoulos and published by Elsevier in PDF, EPUB and Kindle Format. Click Get This Book button to download or read online books. Join over 650.000 happy Readers and READ as many books as you like. We cannot guarantee that Computational Modelling of Nanomaterials book is available in the library.

  • Publisher : Elsevier
  • Release : 30 September 2020
  • ISBN : 9780128214985
  • Page : 244 pages
  • Rating : 4.5/5 from 103 voters

Download Computational Modelling of Nanomaterials in PDF, Epub and Kindle

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

GET THIS BOOK

Computational Modelling of Nanomaterials

Computational Modelling of Nanomaterials
  • Author : Panagiotis Grammatikopoulos
  • Publisher : Elsevier
  • Release Date : 2020-09-30
  • ISBN : 9780128214985
GET THIS BOOKComputational Modelling of Nanomaterials

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

Computational Modelling of Nanoparticles

Computational Modelling of Nanoparticles
  • Author : Stefan T. Bromley,Scott M. Woodley
  • Publisher : Elsevier
  • Release Date : 2018-09-12
  • ISBN : 9780081022757
GET THIS BOOKComputational Modelling of Nanoparticles

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

Computational Modeling of Inorganic Nanomaterials

Computational Modeling of Inorganic Nanomaterials
  • Author : Stefan T. Bromley,Martijn A. Zwijnenburg
  • Publisher : CRC Press
  • Release Date : 2016-04-06
  • ISBN : 9781466576445
GET THIS BOOKComputational Modeling of Inorganic Nanomaterials

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 structure and properties (such as atomic structure, optical absorption and luminescence, and electrical and heat transport) of a varied range of inorganic nanomaterial systems. Divided into three sections, the book first covers

Computational Nanotechnology

Computational Nanotechnology
  • Author : Sarhan M. Musa
  • Publisher : CRC Press
  • Release Date : 2018-09-03
  • ISBN : 9781439841778
GET THIS BOOKComputational Nanotechnology

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

Nanotoxicology

Nanotoxicology
  • Author : Alok Dhawan,Diana Anderson,Rishi Shanker
  • Publisher : Royal Society of Chemistry
  • Release Date : 2017-11-13
  • ISBN : 9781782621584
GET THIS BOOKNanotoxicology

Molecular Modelling and Synthesis of Nanomaterials

Molecular Modelling and Synthesis of Nanomaterials
  • Author : Ihsan Boustani
  • Publisher : Springer Nature
  • Release Date : 2020-07-14
  • ISBN : 9783030327262
GET THIS BOOKMolecular Modelling and Synthesis of Nanomaterials

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 Nanomaterials: Modeling, Design, and Applications

Carbon Nanomaterials: Modeling, Design, and Applications
  • Author : Kun Zhou
  • Publisher : CRC Press
  • Release Date : 2019-07-17
  • ISBN : 9781351123563
GET THIS BOOKCarbon Nanomaterials: Modeling, Design, and Applications

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

Computational Nanotoxicology

Computational Nanotoxicology
  • Author : Agnieszka Gajewicz,Tomasz Puzyn
  • Publisher : CRC Press
  • Release Date : 2019-11-13
  • ISBN : 9781000680881
GET THIS BOOKComputational Nanotoxicology

The development of computational methods that support human health and environmental risk assessment of engineered nanomaterials (ENMs) has attracted great interest because the application of these methods enables us to fill existing experimental data gaps. However, considering the high degree of complexity and multifunctionality of ENMs, computational methods originally developed for regular chemicals cannot always be applied explicitly in nanotoxicology. This book discusses the current state of the art and future needs in the development of computational modeling techniques for

Nanomaterials for Electrochemical Energy Storage

Nanomaterials for Electrochemical Energy Storage
  • Author : Rinaldo Raccichini,Ulderico Ulissi
  • Publisher : Elsevier
  • Release Date : 2021-12-01
  • ISBN : 9780128214367
GET THIS BOOKNanomaterials for Electrochemical Energy Storage

Nanomaterials for Electrochemical Energy Storage: Challenges and Opportunities, Volume Nineteen provides an objective, realistic overview on the use of nanomaterials for various rechargeable electrochemical energy storage systems. It delivers a clear message on opportunities and critical aspects for the application of nanomaterials in currently available commercial devices (i.e., lithium-ion, supercapacitors, lithium-ion capacitors) and in the most promising battery technologies (e.g., lithium-sulphur, sodium-ion, metal-air, multivalent-ion batteries, dual-ion). In addition, it covers the use of nanomaterials on two of the

Towards Efficient Designing of Safe Nanomaterials

Towards Efficient Designing of Safe Nanomaterials
  • Author : Jerzy Leszczynski,Tomasz Puzyn
  • Publisher : Royal Society of Chemistry
  • Release Date : 2012
  • ISBN : 9781849734530
GET THIS BOOKTowards Efficient Designing of Safe Nanomaterials

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.

IUTAM Symposium on Modelling Nanomaterials and Nanosystems

IUTAM Symposium on Modelling Nanomaterials and Nanosystems
  • Author : R. Pyrz,Jens C. Rauhe
  • Publisher : Springer Science & Business Media
  • Release Date : 2008-12-21
  • ISBN : 9781402095573
GET THIS BOOKIUTAM Symposium on Modelling Nanomaterials and Nanosystems

Recent interest in nanotechnology is challenging the community to analyse, develop and design nanometer to micrometer-sized devices for applications in new generations of computer, electronics, photonics and drug delivery systems. To successfully design and fabricate novel nanomaterials and nanosystems, we must necessarily bridge the gap in our understanding of mechanical properties and processes at length scales ranging from 100 nanometers (where atomistic simulations are currently possible) to a micron (where continuum mechanics is experimentally validated). For this purpose the difficulties and

Computational Modelling of Electron Irradiation Induced Effects in Carbon Nanomaterials

Computational Modelling of Electron Irradiation Induced Effects in Carbon Nanomaterials
  • Author : Adriano Santana Sanchez
  • Publisher : Unknown
  • Release Date : 2014
  • ISBN : OCLC:1064450455
GET THIS BOOKComputational Modelling of Electron Irradiation Induced Effects in Carbon Nanomaterials

Computational Catalysis

Computational Catalysis
  • Author : Aravind Asthagiri,Michael Janik
  • Publisher : Royal Society of Chemistry
  • Release Date : 2013-10-31
  • ISBN : 9781849734516
GET THIS BOOKComputational Catalysis

This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.

Modeling, Characterization and Production of Nanomaterials

Modeling, Characterization and Production of Nanomaterials
  • Author : V Tewary,Y Zhang
  • Publisher : Elsevier
  • Release Date : 2015-03-17
  • ISBN : 9781782422358
GET THIS BOOKModeling, Characterization and Production of Nanomaterials

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

Computational Quantum Physics and Chemistry of Nanomaterials

Computational Quantum Physics and Chemistry of Nanomaterials
  • Author : Mojmír Šob
  • Publisher : MDPI
  • Release Date : 2021-04-01
  • ISBN : 9783036501345
GET THIS BOOKComputational Quantum Physics and Chemistry of Nanomaterials

This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary field