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Computational Modelling of Nanomaterials

Computational Modelling of Nanomaterials
  • Author : Panagiotis Grammatikopoulos
  • Publsiher : Elsevier
  • Release : 30 September 2020
  • ISBN : 0128214988
  • Pages : 244 pages
  • Rating : 4/5 from 21 ratings
GET THIS BOOKComputational Modelling of Nanomaterials

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, 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 : 30 September 2020
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

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Computational Modeling of Inorganic Nanomaterials

Computational Modeling of Inorganic Nanomaterials
  • Author : Stefan T. Bromley,Martijn A. Zwijnenburg
  • Publisher : CRC Press
  • Release : 31 March 2021
GET THIS BOOKComputational Modeling of Inorganic Nanomaterials

This volume provides an accessible, unified introduction to a variety of methods for modeling inorganic materials as their dimensions approach the nanoscale. It 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 electrica

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Computational Modelling of Nanoparticles

Computational Modelling of Nanoparticles
  • Author : Stefan T. Bromley,Scott M. Woodley
  • Publisher : Elsevier
  • Release : 12 September 2018
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

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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 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

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Energy Landscapes of Nanoscale Systems

Energy Landscapes of Nanoscale Systems
  • Author : David J. Wales
  • Publisher : Elsevier
  • Release : 15 June 2022
GET THIS BOOKEnergy Landscapes of Nanoscale Systems

Energy Landscapes of Nanoscale Systems provides a snapshot of the state-of-the-art in energy landscapes theory and applications. The book's chapters reflect diversity and knowledge transfer that is a key strength of the energy landscape approach. To reflect the breadth of this field, contributions include applications for clusters, biomolecules, crystal structure prediction and glassy materials. Chapters highlighting new methodologies, especially enhanced sampling techniques are included. In particular, the development and application of global optimization for structure prediction, methods for treating broken

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Advances in Nanotechnology Research and Application: 2012 Edition

Advances in Nanotechnology Research and Application: 2012 Edition
  • Author : Anonim
  • Publisher : ScholarlyEditions
  • Release : 26 December 2012
GET THIS BOOKAdvances in Nanotechnology Research and Application: 2012 Edition

Advances in Nanotechnology Research and Application / 2012 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Nanotechnology. The editors have built Advances in Nanotechnology Research and Application / 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Nanotechnology in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Advances in Nanotechnology Research and Application / 2012 Edition has been produced

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Topics In Nanoscience - Part Ii: Quantized Structures, Nanoelectronics, Thin Films Nanosystems: Typical Results And Future

With the development of the scanning tunneling microscope, nanoscience became an important discipline. Single atoms could be manipulated in a controlled manner, and it became possible to change matter at its 'ultimate' level; it is the level on which the properties of matter emerge. This possibility enables to construct and to produce devices, materials, etc. with very small sizes and completely new properties. That opens up new perspectives for technology and is in particular relevant in connection with nano-engineering.Nanosystems

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Topics In Nanoscience (In 2 Parts)

Topics In Nanoscience (In 2 Parts)
  • Author : Wolfram Schommers
  • Publisher : World Scientific
  • Release : 17 December 2021
GET THIS BOOKTopics In Nanoscience (In 2 Parts)

With the development of the scanning tunneling microscope, nanoscience became an important discipline. Single atoms could be manipulated in a controlled manner, and it became possible to change matter at its 'ultimate' level; it is the level on which the properties of matter emerge. This possibility enables to construct and to produce devices, materials, etc. with very small sizes and completely new properties. That opens up new perspectives for technology and is in particular relevant in connection with nano-engineering.Nanosystems

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Molecular Dynamics Simulation of Nanostructured Materials

Molecular Dynamics Simulation of Nanostructured Materials
  • Author : Snehanshu Pal,Bankim Chandra Ray
  • Publisher : CRC Press
  • Release : 28 April 2020
GET THIS BOOKMolecular Dynamics Simulation of Nanostructured Materials

Molecular dynamics simulation is a significant technique to gain insight into the mechanical behavior of nanostructured (NS) materials and associated underlying deformation mechanisms at the atomic scale. The purpose of this book is to detect and correlate critically current achievements and properly assess the state of the art in the mechanical behavior study of NS material in the perspective of the atomic scale simulation of the deformation process. More precisely, the book aims to provide representative examples of mechanical behavior

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Cluster Beam Deposition of Functional Nanomaterials and Devices

Cluster Beam Deposition of Functional Nanomaterials and Devices
  • Author : Paolo Milani,Mukhles Sowwan
  • Publisher : Elsevier
  • Release : 11 March 2020
GET THIS BOOKCluster Beam Deposition of Functional Nanomaterials and Devices

Cluster Beam Deposition of Functional Nanomaterials and Devices, Volume 15, provides up-to-date information on the CBD of novel nanomaterials and devices. The book offers an overview of gas phase synthesis in a range of nanoparticles, along with discussions on the development of several devices and applications. Applications include, but are not limited to catalysis, smart nanocomposites, nanoprobes, electronic devices, gas sensors and biosensors. This is an important reference source for materials scientists and engineers who want to learn more about this

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Nanomaterials for Electrochemical Energy Storage

Nanomaterials for Electrochemical Energy Storage
  • Author : Rinaldo Raccichini,Ulderico Ulissi
  • Publisher : Elsevier
  • Release : 01 December 2021
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

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Computational Nanotechnology

Computational Nanotechnology
  • Author : Sarhan M. Musa
  • Publisher : CRC Press
  • Release : 03 September 2018
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

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Semiconductor Nanodevices

Semiconductor Nanodevices
  • Author : David Ritchie
  • Publisher : Elsevier
  • Release : 24 October 2021
GET THIS BOOKSemiconductor Nanodevices

Semiconductor Nanodevices: Physics, Technology and Applications opens with a section describing the fundamental technical and scientific background to the recent research covered in the subsequent chapters. This provides a suitable background for graduate students. This section covers firstly sample fabrication and characterization techniques. The growth techniques, primarily Molecular Beam epitaxy and Metal Organic Chemical Vapour Deposition are used for the growth of high purity epitaxial materials. There is also an emphasis on self-assembled growth of quantum dots and nanowires. This

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Nanotoxicology

Nanotoxicology
  • Author : Diana Anderson,Alok Dhawan,Rishi Shanker
  • Publisher : Royal Society of Chemistry
  • Release : 03 November 2017
GET THIS BOOKNanotoxicology

The rapid expansion of the nanotechnology field raises concerns, like any new technology, about the toxicity and environmental impact of nanomaterials. This book addresses the gaps relating to health and safety issues of this field and aims to bring together fragmented knowledge on nanosafety. Not only do chapters address conventional toxicity issues, but also more recent developments such as food borne nanoparticles, life cycle analysis of nanoparticles and nano ethics. In addition, the authors discuss the environmental impact of nanotechnologies

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