Computational Modelling of Nanomaterials Book

Computational Modelling of Nanomaterials


  • Author : Panagiotis Grammatikopoulos
  • Publisher : Elsevier
  • Release Date : 2020-09-30
  • Genre: Technology & Engineering
  • Pages : 244
  • ISBN 10 : 9780128214985

DOWNLOAD BOOK
Computational Modelling of Nanomaterials Excerpt :

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 Book

Computational Modelling of Nanoparticles


  • Author : Stefan T. Bromley
  • Publisher : Elsevier
  • Release Date : 2018-09-15
  • Genre: Science
  • Pages : 358
  • ISBN 10 : 0081022328

DOWNLOAD BOOK
Computational Modelling of Nanoparticles Excerpt :

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

Computational Modeling of Inorganic Nanomaterials Book

Computational Modeling of Inorganic Nanomaterials


  • Author : Stefan T. Bromley
  • Publisher : CRC Press
  • Release Date : 2016-04-06
  • Genre: Science
  • Pages : 423
  • ISBN 10 : 9781466576445

DOWNLOAD BOOK
Computational Modeling of Inorganic Nanomaterials Excerpt :

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 different types of inorganic nanosystems with increasing dimensionality. The second section explains how to computationally describe properties and phenomena associated with inorganic nanomaterials, including the modeling of melting and phase transitions, crystallization, and thermal, mechanical, optical, and excited state properties. The final section highlights a diverse range of important recent case studies of systems where modeling the properties and structures of inorganic nanomaterials is fundamental to their understanding. These case studies illustrate the use of computational techniques to model nanostructures in a range of applications and environments, from heterogeneous catalysis to astrochemistry. Largely due to their extremely reduced dimensions, inorganic nanomaterials are difficult to characterize accurately in experiments. Computational modeling, therefore, often provides unrivaled, detailed insights to complement and guide experimental research on these small-scale materials. This book shows how computational modeling is critical for understanding inorganic nanomaterials and their future development.

Computational Modelling of Nanoparticles Book

Computational Modelling of Nanoparticles


  • Author : Stefan T. Bromley
  • Publisher : Elsevier
  • Release Date : 2018-09-12
  • Genre: Science
  • Pages : 351
  • ISBN 10 : 9780081022757

DOWNLOAD BOOK
Computational Modelling of Nanoparticles Excerpt :

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 Book

Molecular Modelling and Synthesis of Nanomaterials


  • Author : Ihsan Boustani
  • Publisher : Springer Nature
  • Release Date : 2020-07-14
  • Genre: Technology & Engineering
  • Pages : 594
  • ISBN 10 : 9783030327262

DOWNLOAD BOOK
Molecular Modelling and Synthesis of Nanomaterials Excerpt :

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 Modeling of Inorganic Nanomaterials Book

Computational Modeling of Inorganic Nanomaterials


  • Author : Stefan T. Bromley
  • Publisher : CRC Press
  • Release Date : 2021-03-31
  • Genre: Inorganic compounds
  • Pages : 423
  • ISBN 10 : 0367783045

DOWNLOAD BOOK
Computational Modeling of Inorganic Nanomaterials Excerpt :

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

Computational Nanotechnology Book

Computational Nanotechnology


  • Author : Sarhan M. Musa
  • Publisher : CRC Press
  • Release Date : 2018-09-03
  • Genre: Science
  • Pages : 540
  • ISBN 10 : 9781351833455

DOWNLOAD BOOK
Computational Nanotechnology Excerpt :

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 f

Computational Nanotoxicology Book

Computational Nanotoxicology


  • Author : Agnieszka Gajewicz
  • Publisher : CRC Press
  • Release Date : 2019-11-13
  • Genre: Medical
  • Pages : 552
  • ISBN 10 : 9781000680881

DOWNLOAD BOOK
Computational Nanotoxicology Excerpt :

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 nanotoxicology. It focuses on (i) computational chemistry (quantum mechanics, semi-empirical methods, density functional theory, molecular mechanics, molecular dynamics), (ii) nanochemoinformatic methods (quantitative structure–activity relationship modeling, grouping, read-across), and (iii) nanobioinformatic methods (genomics, transcriptomics, proteomics, metabolomics). It reviews methods of calculating molecular descriptors sufficient to characterize the structure of nanoparticles, specifies recent trends in the validation of computational methods, and discusses ways to cope with the uncertainty of predictions. In addition, it highlights the status quo and further challenges in the application of computational methods in regulation (e.g., REACH, OECD) and in industry for product development and optimization and the future directions for increasing acceptance of computational modeling for nanotoxicology.

Computational Nanotechnology Book

Computational Nanotechnology


  • Author : Sarhan M. Musa
  • Publisher : CRC Press
  • Release Date : 2017-10-12
  • Genre: MATLAB.
  • Pages : 537
  • ISBN 10 : 1138073458

DOWNLOAD BOOK
Computational Nanotechnology Excerpt :

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(R) 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 fu

Low Dimensional and Nanostructured Materials and Devices Book

Low Dimensional and Nanostructured Materials and Devices


  • Author : Hilmi Ünlü
  • Publisher : Springer
  • Release Date : 2015-12-01
  • Genre: Science
  • Pages : 674
  • ISBN 10 : 9783319253404

DOWNLOAD BOOK
Low Dimensional and Nanostructured Materials and Devices Excerpt :

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.

Carbon Nanomaterials  Modeling  Design  and Applications Book

Carbon Nanomaterials Modeling Design and Applications


  • Author : Kun Zhou
  • Publisher : CRC Press
  • Release Date : 2019-07-17
  • Genre: Technology & Engineering
  • Pages : 468
  • ISBN 10 : 9781351123570

DOWNLOAD BOOK
Carbon Nanomaterials Modeling Design and Applications Excerpt :

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 view on current achievements in research and practice, while presenting new possibilities in the design and usage of carbon nanomaterials. This book is aimed at both undergraduate and graduate students, researchers, designers, professors, and professionals within the fields of materials science and engineering, mechanical engineering, applied physics, and chemical engineering.

IUTAM Symposium on Modelling Nanomaterials and Nanosystems Book

IUTAM Symposium on Modelling Nanomaterials and Nanosystems


  • Author : R. Pyrz
  • Publisher : Springer Science & Business Media
  • Release Date : 2008-12-21
  • Genre: Technology & Engineering
  • Pages : 342
  • ISBN 10 : 9781402095573

DOWNLOAD BOOK
IUTAM Symposium on Modelling Nanomaterials and Nanosystems Excerpt :

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 complexity originate in the substantial differences in philosophy and viewpoints between conventional continuum mechanics and quantum theories. The challenge lies in how to establish the relationship between a continuum mechanical system and its atomistic counterpart in order to define continuum variables that are calculable within an atomic system.

Introduction to Graphene Based Nanomaterials Book

Introduction to Graphene Based Nanomaterials


  • Author : Luis E. F. Foa Torres
  • Publisher : Cambridge University Press
  • Release Date : 2020-01-30
  • Genre: Science
  • Pages : 479
  • ISBN 10 : 9781108476997

DOWNLOAD BOOK
Introduction to Graphene Based Nanomaterials Excerpt :

An introduction to the electrical and transport properties of graphene and other two-dimensional nanomaterials.

Advances in Nanotechnology Research and Application  2012 Edition Book
Score: 4
From 5 Ratings

Advances in Nanotechnology Research and Application 2012 Edition


  • Author : Anonim
  • Publisher : ScholarlyEditions
  • Release Date : 2012-12-26
  • Genre: Technology & Engineering
  • Pages : 14170
  • ISBN 10 : 9781464990465

DOWNLOAD BOOK
Advances in Nanotechnology Research and Application 2012 Edition Excerpt :

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 by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Computational Finite Element Methods in Nanotechnology Book

Computational Finite Element Methods in Nanotechnology


  • Author : Sarhan M. Musa
  • Publisher : CRC Press
  • Release Date : 2017-12-19
  • Genre: Science
  • Pages : 647
  • ISBN 10 : 9781351832595

DOWNLOAD BOOK
Computational Finite Element Methods in Nanotechnology Excerpt :

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.