Computational Modelling of Nanomaterials

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  • Author : Panagiotis Grammatikopoulos
  • Publisher : Elsevier
  • Pages : 244 pages
  • ISBN : 0128214988
  • Rating : /5 from reviews
CLICK HERE TO GET THIS BOOK >>>Computational Modelling of Nanomaterials

Download or Read online Computational Modelling of Nanomaterials full in PDF, ePub and kindle. this book written by Panagiotis Grammatikopoulos and published by Elsevier which was released on 01 October 2020 with total page 244 pages. We cannot guarantee that Computational Modelling of Nanomaterials book is available in the library, click Get Book button and read full online book in your kindle, tablet, IPAD, PC or mobile whenever and wherever You Like. 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 : 01 October 2020
GET THIS BOOK Computational 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 : 12 September 2018
GET THIS BOOK Computational 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 : 06 April 2016
GET THIS BOOK Computational 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 Finite Element Methods in Nanotechnology

Computational Finite Element Methods in Nanotechnology
  • Author : Sarhan M. Musa
  • Publisher : CRC Press
  • Release : 19 December 2017
GET THIS BOOK Computational Finite Element Methods in Nanotechnology

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

Computational Modelling of TiO2 and Mg silicate Nanoclusters and Nanoparticles Crystallinity and Astrophysical Implications

Computational Modelling of TiO2 and Mg silicate Nanoclusters and Nanoparticles   Crystallinity and Astrophysical Implications
  • Author : Antoni Macià Escatllar
  • Publisher : Unknown
  • Release : 13 June 2021
GET THIS BOOK Computational Modelling of TiO2 and Mg silicate Nanoclusters and Nanoparticles Crystallinity and Astrophysical Implications

"The research presented in this thesis contributes to the understanding of both titania and silicate nanosystems by providing new information on energetic stability and properties of nanometer sized particles using computational modelling. Particular emphasis is placed on the importance of two nanosized regimes: i) tens of atoms, and ii) several hundred up to thousands of atoms. We differentiate these two size regimes by naming nanoclusters the structures containing between tens up to a hundred of atoms, and using the term

Computational Modeling of Nanoparticle Distribution and Toxicity in Biological Systems

Computational Modeling of Nanoparticle Distribution and Toxicity in Biological Systems
  • Author : Dwaipayan Mukherjee
  • Publisher : Unknown
  • Release : 13 June 2021
GET THIS BOOK Computational Modeling of Nanoparticle Distribution and Toxicity in Biological Systems

Engineered Nanoparticles are increasingly becoming a part of our daily lives due to their presence in an overwhelming majority of consumer products. Potential health risks due to chronic exposure to such particulate matter have not been properly evaluated. A multiscale, mechanistic, toxicodynamic model was developed as part of this dissertation, for studying the impact of inhaled nanoparticles on lung function in mammalian biological systems. The biologically-based model was developed in a modular fashion, with separate consideration given to NP distribution

Carbon Nanomaterials Modeling Design and Applications

Carbon Nanomaterials  Modeling  Design  and Applications
  • Author : Kun Zhou
  • Publisher : CRC Press
  • Release : 17 July 2019
GET THIS BOOK Carbon 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

Metallic Nanoparticles

Metallic Nanoparticles
  • Author : Anonim
  • Publisher : Elsevier
  • Release : 21 November 2008
GET THIS BOOK Metallic Nanoparticles

Metallic nanoparticles display fascinating properties that are quite different from those of individual atoms, surfaces or bulk rmaterials. They are a focus of interest for fundamental science and, because of their huge potential in nanotechnology, they are the subject of intense research effort in a range of disciplines. Applications, or potential applications, are diverse and interdisciplinary. They include, for example, use in biochemistry, in catalysis and as chemical and biological sensors, as systems for nanoelectronics and nanostructured magnetism (e.g.

Computational Modeling of Silicon Nanoparticle Formation and Inversion of Differential Mobility Analyzer Data to Obtain Particle Size Distributions

Computational Modeling of Silicon Nanoparticle Formation and Inversion of Differential Mobility Analyzer Data to Obtain Particle Size Distributions
  • Author : Suddha S. Talukdar
  • Publisher : Unknown
  • Release : 13 June 2021
GET THIS BOOK Computational Modeling of Silicon Nanoparticle Formation and Inversion of Differential Mobility Analyzer Data to Obtain Particle Size Distributions

The main objective of the work described in this dissertation was to develop a framework for integrating detailed chemical kinetics, heat transfer and fluid-flow modeling of reactors with aerosol dynamics models that predict the evolution of particle size distributions and, ultimately, particle morphology. A numerical model has been developed to predict gas-phase nucleation, growth, and coagulation of silicon nanoparticles formed during thermal decomposition of silane. Solution of the aerosol general dynamic equation was handled by three approaches: (1) the efficient and

Computational Modeling of A SiO2 Nanoparticles and Their Electronic Structure Calculation

Computational Modeling of A SiO2 Nanoparticles and Their Electronic Structure Calculation
  • Author : Chandra Dhakal
  • Publisher : Unknown
  • Release : 13 June 2021
GET THIS BOOK Computational Modeling of A SiO2 Nanoparticles and Their Electronic Structure Calculation

The spherical amorphous silica (a-SiO2) nanoparticles (NPs) are constructed from a previous continuous random network (CRN) model of a-SiO2 with the periodic boundary. The models of radii 12 Å, 15 Å, 18 Å, 20 Å, 22 Å, 24 Å and 25 Å are built from the CRN structure. Then, three types of models are constructed. Type I has the surface dangling bonds not pacified. In type II models, the dangling bonds are pacified by hydrogen atoms. In type III models, the dangling bonds are pacified by the OH groups. These large models are used

Computational Approaches in Biomedical Nano Engineering

Computational Approaches in Biomedical Nano Engineering
  • Author : Ayesha Sohail,Zhiwu Li
  • Publisher : John Wiley & Sons
  • Release : 14 January 2019
GET THIS BOOK Computational Approaches in Biomedical Nano Engineering

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 the field of biomedicine, and also provide the readers with inspirations for new development of diagnostic imaging and targeted therapeutic applications.

Computational Nanotoxicology

Computational Nanotoxicology
  • Author : Agnieszka Gajewicz,Tomasz Puzyn
  • Publisher : CRC Press
  • Release : 20 December 2019
GET THIS BOOK Computational Nanotoxicology

The development of computational methods that support human health and environmental risk assessment of engineered nanomaterials 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 engineered nanoparticles, computational methods originally developed for regular (i.e., classic) chemicals cannot always be applied explicitly in nanotoxicology. Thus, the main idea of this book is to discuss the current state of the art and

Photonic Sintering of Nanoparticle Inks

Photonic Sintering of Nanoparticle Inks
  • Author : William D. MacNeill
  • Publisher : Unknown
  • Release : 13 June 2021
GET THIS BOOK Photonic Sintering of Nanoparticle Inks

Photonic sintering of nanoparticles is a relatively new process for sintering of nanoparticles, deposited on a substrate, into functional solid structures. The working principle of this process is the incidence of large-area broad-spectrum light onto deposited nanoparticles, which results in heat generation in the nanoparticles and their subsequent densification. Key advantages of photonic sintering include rapid, scalable and ambient condition operation. For these reasons there is significant interest in using this process as a manufacturing solution for nanoparticle sintering in

Simulations in Nanobiotechnology

Simulations in Nanobiotechnology
  • Author : Kilho Eom
  • Publisher : CRC Press
  • Release : 19 October 2011
GET THIS BOOK Simulations in Nanobiotechnology

Until the late 20th century, computational studies of biomolecules and nanomaterials had considered the two subjects separately. A thorough presentation of state-of-the-art simulations for studying the nanoscale behavior of materials, Simulations in Nanobiotechnology discusses computational simulations of biomolecules and nanomaterials together. The book gives readers insight into not only the fundamentals of simulation-based characterizations in nanobiotechnology, but also in how to approach new and interesting problems in nanobiotechnology using basic theoretical and computational frameworks. Presenting the simulation-based nanoscale characterizations in