Computational Modelling of Nanomaterials

Written By Panagiotis Grammatikopoulos
Computational Modelling of Nanomaterials
  • Publsiher : Elsevier
  • Release : 01 October 2020
  • ISBN : 0128214988
  • Pages : 244 pages
  • Rating : /5 from reviews
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Download or read book entitled Computational Modelling of Nanomaterials by author: Panagiotis Grammatikopoulos which was release on 01 October 2020 and published by Elsevier with total page 244 pages . This book available in PDF, EPUB and Kindle Format. 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 Nanomaterials

Computational Modelling of Nanomaterials
  • Author : Panagiotis Grammatikopoulos
  • Publisher : Elsevier
  • Release Date : 2020-10-01
  • Total pages : 244
  • ISBN : 0128214988
GET BOOK

Summary : 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, ...

Computational Modelling of Nanoparticles

Computational Modelling of Nanoparticles
  • Author : Stefan T. Bromley,Scott M. Woodley
  • Publisher : Elsevier
  • Release Date : 2018-09-12
  • Total pages : 351
  • ISBN : 0128214988
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Summary : 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 ...

Molecular Modelling and Synthesis of Nanomaterials

Molecular Modelling and Synthesis of Nanomaterials
  • Author : Ihsan Boustani
  • Publisher : Springer Nature
  • Release Date : 2020-07-14
  • Total pages : 594
  • ISBN : 0128214988
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Summary : 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 ...

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
  • Total pages : 423
  • ISBN : 0128214988
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Summary : 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 ...

Computational Modeling of Inorganic Nanomaterials

Computational Modeling of Inorganic Nanomaterials
  • Author : Taylor & Francis Group
  • Publisher : Unknown
  • Release Date : 2021-03-31
  • Total pages : 212
  • ISBN : 0128214988
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Summary : Read online Computational Modeling of Inorganic Nanomaterials written by Taylor & Francis Group, published by which was released on 2021-03-31. Download full Computational Modeling of Inorganic Nanomaterials Books now! Available in PDF, ePub and Kindle....

Carbon Nanomaterials Modeling Design and Applications

Carbon Nanomaterials  Modeling  Design  and Applications
  • Author : Kun Zhou
  • Publisher : CRC Press
  • Release Date : 2019-07-17
  • Total pages : 468
  • ISBN : 0128214988
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Summary : 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 ...

Materials Modelling Using Density Functional Theory

Materials Modelling Using Density Functional Theory
  • Author : Feliciano Giustino
  • Publisher : Oxford University Press (UK)
  • Release Date : 2014
  • Total pages : 286
  • ISBN : 0128214988
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Summary : This book is an introduction to the modern quantum theory of materials, and primarily addresses seniorundergraduate and first-year graduate students in the physical and chemical sciences, and in materials science and engineering. As advanced materials are becoming ubiquitous in every aspect of our life, the use of quantum mechanics to ...

Composites with Micro and Nano Structure

Composites with Micro  and Nano Structure
  • Author : Vladimír Kompiš
  • Publisher : Springer Science & Business Media
  • Release Date : 2010-02-18
  • Total pages : 302
  • ISBN : 0128214988
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Summary : This book presents new results in the knowledge and simulations for composite nano-materials. It includes selected, extended papers presented in the thematic ECCOMAS conference on Composites with Micro- and Nano-Structure (CMNS) – Computational Modelling and Experiments. It contains atomistic and continuum numerical methods and experimental validation for composite materials reinforced with ...

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
  • Total pages : 416
  • ISBN : 0128214988
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Summary : 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 ...

Computational Finite Element Methods in Nanotechnology

Computational Finite Element Methods in Nanotechnology
  • Author : Sarhan M. Musa
  • Publisher : CRC Press
  • Release Date : 2017-12-19
  • Total pages : 640
  • ISBN : 0128214988
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Summary : 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 ...

Computational Approaches in Biomedical Nano Engineering

Computational Approaches in Biomedical Nano Engineering
  • Author : Ayesha Sohail,Zhiwu Li
  • Publisher : John Wiley & Sons
  • Release Date : 2019-01-14
  • Total pages : 296
  • ISBN : 0128214988
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Summary : This book comprehensively and systematically treats modern understanding of the Nano-Bio-Technology and its therapeutic applications. The contents range from the nanomedicine, imaging, targeted therapeutic applications, experimental results along with modelling approaches. It will provide the readers with fundamentals on computational and modelling aspects of advanced nano-materials and nano-technology specifically in ...

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
  • Total pages : 332
  • ISBN : 0128214988
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Summary : 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 ...

Mechanical Characterization Computational Modeling and Biological Considerations for Carbon Nanomaterial agarose Composites for Tissue Engineering Applications

Mechanical Characterization  Computational Modeling and Biological Considerations for Carbon Nanomaterial agarose Composites for Tissue Engineering Applications
  • Author : Nilesh S. Billade
  • Publisher : Unknown
  • Release Date : 2009
  • Total pages : 151
  • ISBN : 0128214988
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Summary : Tissue engineering (TE) is an emerging technique to develop biological substitutes forreplacing damaged tissues and organs. However, currently used biomaterials for making TE scaffolds are considerably weaker than the native tissue and may not withstand mechanical stimuli during culture needed in TE. Carbon nanomaterials (CNMs) are known to enhance the ...

Photonics of Quantum Dot Nanomaterials and Devices

Photonics of Quantum Dot Nanomaterials and Devices
  • Author : Ortwin Hess,Edeltraud Gehrig
  • Publisher : World Scientific
  • Release Date : 2011-09-23
  • Total pages : 184
  • ISBN : 0128214988
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Summary : Quantum dot nano structures are interesting for applications in information technology and play a growing role in data storage, medical and biological applications. Understanding quantum nanomaterials is thus the key for the conception and optimization of novel structures. This monograph gives an overview of the theory and introduces the concepts ...

Computational Nanotoxicology

Computational Nanotoxicology
  • Author : Agnieszka Gajewicz,Tomasz Puzyn
  • Publisher : CRC Press
  • Release Date : 2019-11-13
  • Total pages : 552
  • ISBN : 0128214988
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Summary : 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 ...