Computational Modelling of Nanomaterials

Computational Modelling of Nanomaterials
Author: Panagiotis Grammatikopoulos
Publsiher: Elsevier
Total Pages: 244
Release: 2020-10-01
ISBN 10: 0128214988
ISBN 13: 9780128214985
Language: EN, FR, DE, ES & NL

Computational Modelling of Nanomaterials Book Review:

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

Computational Modelling of Nanoparticles
Author: Stefan T. Bromley,Scott M. Woodley
Publsiher: Elsevier
Total Pages: 351
Release: 2018-09-12
ISBN 10: 0081022751
ISBN 13: 9780081022757
Language: EN, FR, DE, ES & NL

Computational Modelling of Nanoparticles Book Review:

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

Computational Modeling of Inorganic Nanomaterials
Author: Stefan T. Bromley,Martijn A. Zwijnenburg
Publsiher: CRC Press
Total Pages: 423
Release: 2016-04-06
ISBN 10: 1466576448
ISBN 13: 9781466576445
Language: EN, FR, DE, ES & NL

Computational Modeling of Inorganic Nanomaterials Book Review:

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 Nanotechnology

Computational Nanotechnology
Author: Sarhan M. Musa
Publsiher: CRC Press
Total Pages: 537
Release: 2018-09-03
ISBN 10: 1351833456
ISBN 13: 9781351833455
Language: EN, FR, DE, ES & NL

Computational Nanotechnology Book Review:

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 future directions in the field, highlighting the importance of the algorithms, modeling software, and computational tools in the development of efficient nanoscale systems.

Computational Multiscale Modeling of Multiphase Nanosystems

Computational Multiscale Modeling of Multiphase Nanosystems
Author: Alexander V. Vakhrushev
Publsiher: CRC Press
Total Pages: 372
Release: 2017-10-10
ISBN 10: 1351800264
ISBN 13: 9781351800266
Language: EN, FR, DE, ES & NL

Computational Multiscale Modeling of Multiphase Nanosystems Book Review:

Computational Multiscale Modeling of Multiphase Nanosystems: Theory and Applications presents a systematic description of the theory of multiscale modeling of nanotechnology applications in various fields of science and technology. The problems of computing nanoscale systems at different structural scales are defined, and algorithms are given for their numerical solutions by the quantum/continuum mechanics, molecular dynamics, and mesodynamics methods. Emphasis is given to the processes of the formation, movement, and interaction of nanoparticles; the formation of nanocomposites; and the processes accompanying the application of nanocomposites. The book concentrates on different types of nanosystems: solid, liquid, gaseous, and multi-phase, consisting of various elements interacting with each other, and with other elements of the nanosystem and with the environment. The book includes a large number of examples of numerical modeling of nanosystems. The valuable information presented here will be useful to engineers, researchers, and postgraduate students engaged in the design and research in the field of nanotechnology.

Exam Prep for Computational Modelling of Nanoparticles

Exam Prep for  Computational Modelling of Nanoparticles
Author: Anonim
Publsiher: Unknown
Total Pages: 329
Release: 2021
ISBN 10:
ISBN 13:
Language: EN, FR, DE, ES & NL

Exam Prep for Computational Modelling of Nanoparticles Book Review:

Carbon Nanomaterials Modeling Design and Applications

Carbon Nanomaterials  Modeling  Design  and Applications
Author: Kun Zhou
Publsiher: CRC Press
Total Pages: 468
Release: 2019-07-17
ISBN 10: 1351123572
ISBN 13: 9781351123570
Language: EN, FR, DE, ES & NL

Carbon Nanomaterials Modeling Design and Applications Book Review:

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.

Computational Finite Element Methods in Nanotechnology

Computational Finite Element Methods in Nanotechnology
Author: Sarhan M. Musa
Publsiher: CRC Press
Total Pages: 640
Release: 2017-12-19
ISBN 10: 1439893268
ISBN 13: 9781439893265
Language: EN, FR, DE, ES & NL

Computational Finite Element Methods in Nanotechnology Book Review:

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.

Computational Nanotoxicology

Computational Nanotoxicology
Author: Agnieszka Gajewicz,Tomasz Puzyn
Publsiher: CRC Press
Total Pages: 552
Release: 2019-11-13
ISBN 10: 1000680886
ISBN 13: 9781000680881
Language: EN, FR, DE, ES & NL

Computational Nanotoxicology Book Review:

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.

Pharmaceutical Nanotechnology

Pharmaceutical Nanotechnology
Author: Jean Cornier
Publsiher: John Wiley & Sons
Total Pages: 775
Release: 2017-02-06
ISBN 10: 3527340548
ISBN 13: 9783527340545
Language: EN, FR, DE, ES & NL

Pharmaceutical Nanotechnology Book Review:

With its focus on concrete methods and recent advances in applying nanotechnology to develop new drug therapies and medical diagnostics, this book provides an overall picture of the field, from the fundamentals of nanopharmacy with the characterisation and manufacturing methods to the role of nanoparticles and substances. Actual examples of utilization include drug development issues, translation to the clinic, market prospects, and industrial commercialization aspects. The applications described are taken from cancer treatment as well as other major therapeutic areas, such as infectious diseases and dermatology. An in-depth discussion on safety, regulatory, and societal aspects rounds off the book. Written by a top team of editors and authors composed of the leading experts in Europe and the USA who have pioneered the field of nanopharmacy!

Clay Nanoparticles

Clay Nanoparticles
Author: Giuseppe Cavallaro,Rawil F. Fakhrullin,Pooria Pasbakhsh
Publsiher: Elsevier
Total Pages: 368
Release: 2020-02-15
ISBN 10: 012816784X
ISBN 13: 9780128167847
Language: EN, FR, DE, ES & NL

Clay Nanoparticles Book Review:

Clay Nanoparticles: Properties and Applications sets out the major properties of clay nanoparticles and their technological applications. The first part of the book focuses on the characterization of nanoclays, including layered, fibrous and tubular clay minerals. The second part illustrates the current and potential applications of nanoclays within material science and biotechnology. These include the development of geopolymers and bionanocomposites based on sustainable polymers filled with ecocompatible nanoclay. The potential use of nanoclays as flame retardants is also discussed, along with the correlation between the properties and potential applications of several nanoclay types. In particular, the applications explored include nanoclays as drug delivery systems and for environmental protection. The book provides a complete and multidisciplinary exploration of nanoclays, highlighting a range of perspectives within current nanotechnology research. Assesses the advantages of using nanoclays instead of conventional clay materials in product design Describes the major characterization techniques – both experimental and computational – for nanoclays Explores new fabrication techniques based on pristine and modified clay nanoparticles that are being used both in materials science and biotechnology

Nanotoxicology

Nanotoxicology
Author: Alok Dhawan,Diana Anderson,Rishi Shanker
Publsiher: Royal Society of Chemistry
Total Pages: 356
Release: 2017-11-13
ISBN 10: 178262158X
ISBN 13: 9781782621584
Language: EN, FR, DE, ES & NL

Nanotoxicology Book Review:

Photoactive Inorganic Nanoparticles

Photoactive Inorganic Nanoparticles
Author: Julia Pérez Prieto,María González Béjar
Publsiher: Elsevier
Total Pages: 284
Release: 2019-03-09
ISBN 10: 0128145323
ISBN 13: 9780128145326
Language: EN, FR, DE, ES & NL

Photoactive Inorganic Nanoparticles Book Review:

Nanoparticles are usually designed for specific applications and selection of the most convenient capping can be a complex task, but is crucial for successful design. In this volume, the authors discuss the selection of functional cappings to coat nanoparticles in a range of different applications. The opening chapter provides an understanding of basic aspects of surface chemistry at the nanoscale. Each following chapter covers a particular kind of capping, beginning with a basic introduction and describing characteristics such as structure, functionality, solubility, (photo)physics, and toxicity. Special emphasis is placed on how important these specific features are in the preparation of smart nanomaterials. In-depth explanations and examples are then presented, highlighting the latest results and cutting-edge research carried out with the selected capping according to the kind of nanoparticle employed (such as rare-earth doped, semiconducting, and metallic). An additional chapter focusses on computational techniques for modelling nanosurfaces. Photoactive Inorganic Nanoparticles: Surface Composition and its Role in Nanosystem Functionality will be a valuable working resource for graduate students, researchers, and industry R&D professionals working in the field of applied nanomaterials. Aids selection of the best functional cappings for particular applications Covers a broad range of application areas, including medical, biological and materials science Provides material on computational techniques for modeling nanosurfaces

Metallic Nanoparticles

Metallic Nanoparticles
Author: Anonim
Publsiher: Elsevier
Total Pages: 408
Release: 2008-11-21
ISBN 10: 9780080559698
ISBN 13: 0080559697
Language: EN, FR, DE, ES & NL

Metallic Nanoparticles Book Review:

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. data storage devices), where the drive for further miniaturization provides tremendous technological challenges and, in medicine, there is interest in their potential as agents for drug delivery. The book describes the structure of metallic nanoparticles, the experimental and theoretical techniques by which this is determined, and the models employed to facilitate understanding. The various methods for the production of nanoparticles are outlined. It surveys the properties of clusters and the methods of characterisation, such as photoionization, optical spectroscopy, chemical reactivity and magnetic behaviour, and discusses element-specific information that can be extracted by synchrotron-based techniques such as EXAFS, XMCD and XMLD. The properties of clusters can vary depending on whether they are free, deposited on a surface or embedded in a matrix of another material; these issues are explored. Clusters on a surface can be formed by the diffusion and aggregation of atoms; ways of modelling these processes are described. Finally we look at nanotechnology and examine the science behind the potential of metallic nanoparticles in chemical synthesis, catalysis, the magnetic separation of biomolecules, the detection of DNA, the controlled release of molecules and their relevance to data storage. The book addresses a wide audience. There was a huge development of the subject beginning in the mid-1980s where researchers began to study the properties of free nanoparticle and models were developed to describe the observations. The newcomer is introduced to the established models and techniques of the field without the need to refer to other sources to make the material accessible. It then takes the reader through to the latest research and provides a comprehensive list of references for those who wish to pursue particular aspects in more detail. It will also be an invaluable handbook for the expert in a particular aspect of nanoscale research who wishes to acquire knowledge of other areas. The authors are specialists in different aspects of the subject with expertise in physics and chemistry, experimental techniques and computational modelling, and in interdisciplinary research. They have collaborated in research. They have also collaborated in writing this book, with the aim from the outset of making it is a coherent whole rather than a series of independent loosely connected articles. * Appeals to a wide audience * Provides an introduction to established models and techniques in the field * Comprehensive list of references

Synthesis Modelling and Characterization of 2D Materials and their Heterostructures

Synthesis  Modelling and Characterization of 2D Materials and their Heterostructures
Author: Eui-Hyeok Yang,Dibakar Datta,Junjun Ding,Grzegorz Hader
Publsiher: Elsevier
Total Pages: 534
Release: 2020-06-19
ISBN 10: 0128184760
ISBN 13: 9780128184769
Language: EN, FR, DE, ES & NL

Synthesis Modelling and Characterization of 2D Materials and their Heterostructures Book Review:

Synthesis, Modelling and Characterization of 2D Materials and Their Heterostructures provides a detailed discussion on the multiscale computational approach surrounding atomic, molecular and atomic-informed continuum models. In addition to a detailed theoretical description, this book provides example problems, sample code/script, and a discussion on how theoretical analysis provides insight into optimal experimental design. Furthermore, the book addresses the growth mechanism of these 2D materials, the formation of defects, and different lattice mismatch and interlayer interactions. Sections cover direct band gap, Raman scattering, extraordinary strong light matter interaction, layer dependent photoluminescence, and other physical properties. Explains multiscale computational techniques, from atomic to continuum scale, covering different time and length scales Provides fundamental theoretical insights, example problems, sample code and exercise problems Outlines major characterization and synthesis methods for different types of 2D materials

Towards Efficient Designing of Safe Nanomaterials

Towards Efficient Designing of Safe Nanomaterials
Author: Jerzy Leszczynski,Tomasz Puzyn
Publsiher: Royal Society of Chemistry
Total Pages: 362
Release: 2012
ISBN 10: 1849734534
ISBN 13: 9781849734530
Language: EN, FR, DE, ES & NL

Towards Efficient Designing of Safe Nanomaterials Book Review:

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.

Graphene Nanostructures

Graphene Nanostructures
Author: Yaser M. Banadaki,Safura Sharifi
Publsiher: CRC Press
Total Pages: 210
Release: 2019-07-16
ISBN 10: 0429666594
ISBN 13: 9780429666599
Language: EN, FR, DE, ES & NL

Graphene Nanostructures Book Review:

Tremendous innovations in electronics and photonics over the past few decades have resulted in the downsizing of transistors in integrated circuits, which are now approaching atomic scales. This will soon result in the creation of a growing knowledge gap between the underlying technology and state-of-the-art electronic device modeling and simulations. This book bridges the gap by presenting cutting-edge research in the computational analysis and mathematical modeling of graphene nanostructures as well as the recent progress on graphene transistors for nanoscale circuits. It inspires and educates fellow circuit designers and students in the field of emerging low-power and high-performance circuit designs based on graphene. While most of the books focus on the synthesis, fabrication, and characterization of graphene, this book shines a light on graphene models and their circuit simulations and applications in photonics. It will serve as a textbook for graduate-level courses in nanoscale electronics and photonics design and appeal to anyone involved in electrical engineering, applied physics, materials science, or nanotechnology research.

Colloids for Nanobiotechnology

Colloids for Nanobiotechnology
Author: Wolfgang Parak,Neus Feliu
Publsiher: Frontiers of Nanoscience, Volu
Total Pages: 208
Release: 2020-04-30
ISBN 10: 0081028288
ISBN 13: 9780081028285
Language: EN, FR, DE, ES & NL

Colloids for Nanobiotechnology Book Review:

Colloids for Nanobiotechnology: Synthesis, Characterization and Potential Applications, Volume 17, offers a range of perspectives on emerging nano-inspired colloidal applications. With an emphasis on biomedical and environmental opportunities and challenges, the book outlines how nanotechnology is being used to increase the uses and impact of colloid science. Nanotechnology offers new horizons for colloidal research and synthesis routes that allow for the production of highly reproducible and defined materials. This book presents new characterization methods and a fundamental understanding of basic physicochemical, physical and chemical properties.

Introduction to Graphene Based Nanomaterials

Introduction to Graphene Based Nanomaterials
Author: Luis E. F. Foa Torres,Stephan Roche,Jean-Christophe Charlier
Publsiher: Cambridge University Press
Total Pages: 421
Release: 2014-01-23
ISBN 10: 1107030838
ISBN 13: 9781107030831
Language: EN, FR, DE, ES & NL

Introduction to Graphene Based Nanomaterials Book Review:

A detailed primer describing the most effective theoretical and computational methods and tools for simulating graphene-based systems.

Introduction to Computational Materials Science

Introduction to Computational Materials Science
Author: Richard LeSar
Publsiher: Cambridge University Press
Total Pages: 329
Release: 2013-03-28
ISBN 10: 1107328144
ISBN 13: 9781107328143
Language: EN, FR, DE, ES & NL

Introduction to Computational Materials Science Book Review:

Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modelling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.