Topics in Theoretical and Computational Nanoscience

Topics in Theoretical and Computational Nanoscience PDF Author: Jeffrey Michael McMahon
Publisher: Springer Science & Business Media
ISBN: 1441982493
Category : Science
Languages : en
Pages : 204

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Book Description
Interest in structures with nanometer-length features has significantly increased as experimental techniques for their fabrication have become possible. The study of phenomena in this area is termed nanoscience, and is a research focus of chemists, pure and applied physics, electrical engineers, and others. The reason for such a focus is the wide range of novel effects that exist at this scale, both of fundamental and practical interest, which often arise from the interaction between metallic nanostructures and light, and range from large electromagnetic field enhancements to extraordinary optical transmission of light through arrays of subwavelength holes. This dissertation is aimed at addressing some of the most fundamental and outstanding questions in nanoscience from a theoretical and computational perspective, specifically: · At the single nanoparticle level, how well do experimental and classical electrodynamics agree? · What is the detailed relationship between optical response and nanoparticle morphology, composition, and environment? · Does an optimal nanostructure exist for generating large electromagnetic field enhancements, and is there a fundamental limit to this? · Can nanostructures be used to control light, such as confining it, or causing fundamentally different scattering phenomena to interact, such as electromagnetic surface modes and diffraction effects? · Is it possible to calculate quantum effects using classical electrodynamics, and if so, how do they affect optical properties?

Topics in Theoretical and Computational Nanoscience

Topics in Theoretical and Computational Nanoscience PDF Author: Jeffrey Michael McMahon
Publisher: Springer Science & Business Media
ISBN: 1441982493
Category : Science
Languages : en
Pages : 204

Get Book Here

Book Description
Interest in structures with nanometer-length features has significantly increased as experimental techniques for their fabrication have become possible. The study of phenomena in this area is termed nanoscience, and is a research focus of chemists, pure and applied physics, electrical engineers, and others. The reason for such a focus is the wide range of novel effects that exist at this scale, both of fundamental and practical interest, which often arise from the interaction between metallic nanostructures and light, and range from large electromagnetic field enhancements to extraordinary optical transmission of light through arrays of subwavelength holes. This dissertation is aimed at addressing some of the most fundamental and outstanding questions in nanoscience from a theoretical and computational perspective, specifically: · At the single nanoparticle level, how well do experimental and classical electrodynamics agree? · What is the detailed relationship between optical response and nanoparticle morphology, composition, and environment? · Does an optimal nanostructure exist for generating large electromagnetic field enhancements, and is there a fundamental limit to this? · Can nanostructures be used to control light, such as confining it, or causing fundamentally different scattering phenomena to interact, such as electromagnetic surface modes and diffraction effects? · Is it possible to calculate quantum effects using classical electrodynamics, and if so, how do they affect optical properties?

Computational Nanoscience

Computational Nanoscience PDF Author: Elena Bichoutskaia
Publisher: Royal Society of Chemistry
ISBN: 184973268X
Category : Science
Languages : en
Pages : 445

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Book Description
Nanoscience is one of the most exciting areas of modern physical science as it encompasses a range of techniques rather than a single discipline. It stretches across the whole spectrum of science including: medicine and health, physics, engineering and chemistry. Providing a deep understanding of the behaviour of matter at the scale of individual atoms and molecules, it provides a crucial step towards future applications of nanotechnology. The remarkable improvements in both theoretical methods and computational techniques make it possible for modern computational nanoscience to achieve a new level of chemical accuracy. It is now a discipline capable of leading and guiding experimental efforts rather than just following others. Computational Nanoscience addresses modern challenges in computational science, within the context of the rapidly evolving field of nanotechnology. It satisfies the need for a comprehensive, yet concise and up-to-date, survey of new developments and applications presented by the world's leading academics. It documents major, recent advances in scientific computation, mathematical models and theory development that specifically target the applications in nanotechnology. Suitable for theoreticians, researchers and students, the book shows readers what computational nanoscience can achieve, and how it may be applied in their own work. The twelve chapters cover topics including the concepts behind recent breakthroughs, the development of cutting edge simulation tools, and the variety of new applications.

Topics in Theoretical and Computational Nanoscience

Topics in Theoretical and Computational Nanoscience PDF Author: Jeffrey Michael McMahon
Publisher:
ISBN: 9781441982506
Category :
Languages : en
Pages : 216

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Book Description


Handbook of Theoretical and Computational Nanotechnology

Handbook of Theoretical and Computational Nanotechnology PDF Author: Michael Rieth
Publisher:
ISBN: 9781588830425
Category : Nanoscience
Languages : en
Pages :

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Book Description


Handbook of Theoretical and Computational Nanotechnology: Quantum and molecular computing, quantum simulations

Handbook of Theoretical and Computational Nanotechnology: Quantum and molecular computing, quantum simulations PDF Author: Michael Rieth
Publisher:
ISBN: 9781588830456
Category : Nanoscience
Languages : en
Pages : 724

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Book Description


Computational Nanoscience

Computational Nanoscience PDF Author: Kálmán Varga
Publisher: Cambridge University Press
ISBN: 1139501054
Category : Science
Languages : en
Pages : 445

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Book Description
Computer simulation is an indispensable research tool in modeling, understanding and predicting nanoscale phenomena. However, the advanced computer codes used by researchers are too complicated for graduate students wanting to understand computer simulations of physical systems. This book gives students the tools to develop their own codes. Describing advanced algorithms, the book is ideal for students in computational physics, quantum mechanics, atomic and molecular physics, and condensed matter theory. It contains a wide variety of practical examples of varying complexity to help readers at all levels of experience. An algorithm library in Fortran 90, available online at www.cambridge.org/9781107001701, implements the advanced computational approaches described in the text to solve physical problems.

Topics In Nanoscience (In 2 Parts)

Topics In Nanoscience (In 2 Parts) PDF Author: Wolfram Schommers
Publisher: World Scientific
ISBN: 9811256136
Category : Science
Languages : en
Pages : 872

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Book Description
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 are unimaginably small and very fast. No doubt, this is an important characteristic. But there is another feature, possibly more relevant, in connection with nanoscience and nanotechnology. The essential point here is that we work at the 'ultimate level'. This is the smallest level at which the properties of our world emerge, at which functional matter can exist. In particular, at this level biological individuality comes into existence. This situation can be expressed in absolute terms: This is not only the strongest material ever made, this is the strongest material it will ever be possible to make (D Ratner and M Ratner, Nanotechnology and Homeland Security). This is a very general statement. All aspects of matter are concerned here. Through the variation of the composition various forms of matter emerge with different items.Nanosystems are usually small, but they offer nevertheless the possibility to vary the structure of atomic (molecular) ensembles, creating a diversity of new material-specific properties. A large variety of experimental possibilities come into play and flexible theoretical tools are needed at the basic level. This is reflected in the different disciplines: In nanoscience and nanotechnology we have various directions: Materials science, functional nanomaterials, nanoparticles, food chemistry, medicine with brain research, quantum and molecular computing, bioinformatics, magnetic nanostructures, nano-optics, nano-electronics, etc.The properties of matter, which are involved within these nanodisciplines, are ultimate in character, i.e., their characteristic properties come into existence at this level. The book is organized in this respect.

Computational Nanotechnology

Computational Nanotechnology PDF Author: Sarhan M. Musa
Publisher: CRC Press
ISBN: 1351833456
Category : Science
Languages : en
Pages : 540

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Book Description
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.

Introduction to Graphene-Based Nanomaterials

Introduction to Graphene-Based Nanomaterials PDF Author: Luis E. F. Foa Torres
Publisher: Cambridge University Press
ISBN: 1108754376
Category : Science
Languages : en
Pages : 479

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Book Description
Graphene is one of the most intensively studied materials, and has unusual electrical, mechanical and thermal properties, which provide almost unlimited potential applications. This book provides an introduction to the electrical and transport properties of graphene and other two-dimensional nanomaterials, covering ab-initio to multiscale methods. Updated from the first edition, the authors have added chapters on other two-dimensional materials, spin-related phenomena, and an improved overview of Berry phase effects. Other topics include powerful order N electronic structure, transport calculations, and ac transport and multiscale transport methodologies. Chapters are complemented with concrete examples and case studies, questions and exercises, detailed appendices and computational codes. It is a valuable resource for graduate students and researchers working in physics, materials science or engineering who are interested in the field of graphene-based nanomaterials.

Computational Nanotoxicology

Computational Nanotoxicology PDF Author: Agnieszka Gajewicz
Publisher: CRC Press
ISBN: 1000680886
Category : Medical
Languages : en
Pages : 570

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Book Description
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.