Download or read book Computational Nanoscience written by Elena Bichoutskaia and published by Royal Society of Chemistry. This book was released on 2011-06-09 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Computational Nanoscience written by Elena Bichoutskaia and published by Royal Society of Chemistry. This book was released on 2011 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoscience is one of the most exciting scientific disciplines as it is concerned with materials and systems, which exhibit novel and significantly improved physical, chemical and biological properties due to their small nanoscale size. It stretches across the whole spectrum of modern 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 takes a crucial step towards future applications of nanotechnology. The remarkable improvements in both theoretical methods and computational techniques make it possible for computational nanoscience to achieve a new level of accuracy. Computational nanoscience is now a discipline capable of leading and guiding experimental efforts. 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, experimental 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 in nanoscience, the development of cutting edge simulation tools, and the variety of new applications.

Download or read book Nanocomputing written by Jang-Yu Hsu and published by CRC Press. This book was released on 2017-03-03 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive overview of the computational physics for nanoscience and nanotechnology. Based on MATLAB and the C++ distributed computing paradigm, the book gives instructive explanations of the underlying physics for mesoscopic systems with many listed programs that readily compute physical properties into nanoscales. Many generated graphical pictures demonstrate not only the principles of physics, but also the methodology of computing.

Download or read book Computational Nanoscience written by Kálmán Varga and published by Cambridge University Press. This book was released on 2011-04-14 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Topics in Theoretical and Computational Nanoscience written by Jeffrey Michael McMahon and published by Springer Science & Business Media. This book was released on 2011-06-24 with total page 204 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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?

Download or read book Computational Modelling of Nanomaterials written by Panagiotis Grammatikopoulos and published by Elsevier. This book was released on 2020-09-30 with total page 244 pages. Available in PDF, EPUB and Kindle. Book 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

Download or read book Computational Nanotechnology written by Sarhan M. Musa and published by CRC Press. This book was released on 2018-09-03 with total page 540 pages. Available in PDF, EPUB and Kindle. Book 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 future directions in the field, highlighting the importance of the algorithms, modeling software, and computational tools in the development of efficient nanoscale systems.

Download or read book Computational Nanomedicine and Nanotechnology written by Renat R. Letfullin and published by Springer. This book was released on 2017-02-10 with total page 697 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook, aimed at advanced undergraduate and graduate students, introduces the basic knowledge required for nanomedicine and nanotechnology, and emphasizes how the combined use of chemistry and light with nanoparticles can serve as treatments and therapies for cancer. This includes nanodevices, nanophototherapies, nanodrug design, and laser heating of nanoparticles and cell organelles. In addition, the book covers the emerging fields of nanophotonics and nanoplasmonics, which deal with nanoscale confinement of radiation and optical interactions on a scale much smaller than the wavelength of the light. The applications of nanophotonics and nanoplasmonics to biomedical research discussed in the book range from optical biosensing to photodynamic therapies.Cutting-edge and reflective of the multidisciplinary nature of nanomedicine, this book effectively combines knowledge and modeling from nanoscience, medicine, biotechnology, physics, optics, engineering, and pharmacy in an easily digestible format. Among the topics covered in-depth are:• The structure of cancer cells and their properties, as well as techniques for selective targeting of cancer and gene therapy.• Nanoplasmonics: Lorentz-Mie simulations of optical properties of nanoparticles and the use of plasmonic nanoparticles in diagnosis and therapy.• Nanophotonics: short and ultrashort laser pulse interactions with nanostructures, time and space simulations of thermal fields in and around the nanobioparticles, and nanoclusters heated by radiation.• Modeling of soft and hard biological tissue ablation by activated nanoparticles, as well as optical, thermal, kinetic, and dynamic modeling.• Detection techniques, including the design and methods of activation of nanodrugs and plasmon resonance detection techniques.• Design and fabrication of nanorobots and nanoparticles.• Effective implementation of nanotherapy treatments.• Nanoheat transfer, particularly the heating and cooling kinetics of nanoparticles.• ...and more!Each chapter contains a set of lectures in the form of text for student readers and PowerPoints for use by instructors, as well as homework exercises. Selected chapters also contain computer practicums, including Maple codes and worked-out examples. This book helps readers become more knowledgeable and versant in nanomedicine and nanotechnology, inspires readers to work creatively and go beyond the ideas and topics presented within, and is sufficiently comprehensive to be of value to research scientists as well as students.

Download or read book Computational Nanotechnology Using Finite Difference Time Domain written by Sarhan M. Musa and published by CRC Press. This book was released on 2017-12-19 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Finite Difference Time Domain (FDTD) method is an essential tool in modeling inhomogeneous, anisotropic, and dispersive media with random, multilayered, and periodic fundamental (or device) nanostructures due to its features of extreme flexibility and easy implementation. It has led to many new discoveries concerning guided modes in nanoplasmonic waveguides and continues to attract attention from researchers across the globe. Written in a manner that is easily digestible to beginners and useful to seasoned professionals, Computational Nanotechnology Using Finite Difference Time Domain describes the key concepts of the computational FDTD method used in nanotechnology. The book discusses the newest and most popular computational nanotechnologies using the FDTD method, considering their primary benefits. It also predicts future applications of nanotechnology in technical industry by examining the results of interdisciplinary research conducted by world-renowned experts. Complete with case studies, examples, supportive appendices, and FDTD codes accessible via a companion website, Computational Nanotechnology Using Finite Difference Time Domain not only delivers a practical introduction to the use of FDTD in nanotechnology but also serves as a valuable reference for academia and professionals working in the fields of physics, chemistry, biology, medicine, material science, quantum science, electrical and electronic engineering, electromagnetics, photonics, optical science, computer science, mechanical engineering, chemical engineering, and aerospace engineering.

Download or read book Computational Modelling of Nanoparticles written by Stefan T. Bromley and published by Elsevier. This book was released on 2018-09-12 with total page 354 pages. Available in PDF, EPUB and Kindle. Book 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

Download or read book Computational Finite Element Methods in Nanotechnology written by Sarhan M. Musa and published by CRC Press. This book was released on 2017-12-19 with total page 640 pages. Available in PDF, EPUB and Kindle. Book 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.

Download or read book Computational Nanotechnology written by Sarhan M. Musa and published by CRC Press. This book was released on 2018-09-03 with total page 537 pages. Available in PDF, EPUB and Kindle. Book 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 future directions in the field, highlighting the importance of the algorithms, modeling software, and computational tools in the development of efficient nanoscale systems.

Download or read book Nanoscience and Computational Chemistry written by Andrew G. Mercader and published by CRC Press. This book was released on 2013-11-23 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides innovative chapters covering new methodologies and important applications in the fields of nanoscience and computational chemistry. The book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of nano and

Download or read book Computational Continuum Mechanics of Nanoscopic Structures written by Esmaeal Ghavanloo and published by Springer. This book was released on 2019-02-19 with total page 275 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a comprehensive treatment of nonlocal elasticity theory as applied to the prediction of the mechanical characteristics of various types of biological and non-biological nanoscopic structures with different morphologies and functional behaviour. It combines fundamental notions and advanced concepts, covering both the theory of nonlocal elasticity and the mechanics of nanoscopic structures and systems. By reporting on recent findings and discussing future challenges, the book seeks to foster the application of nonlocal elasticity based approaches to the emerging fields of nanoscience and nanotechnology. It is a self-contained guide, and covers all relevant background information, the requisite mathematical and computational techniques, theoretical assumptions, physical methods and possible limitations of the nonlocal approach, including some practical applications. Mainly written for researchers in the fields of physics, biophysics, mechanics, and nanoscience, as well as computational engineers, the book can also be used as a reference guide for senior undergraduate and graduate students, as well as practicing engineers working in a range of areas, such as computational condensed matter physics, computational materials science, computational nanoscience and nanotechnology, and nanomechanics.

Download or read book Computational Nanoscience written by Nathan E. Schultz and published by . This book was released on 2006 with total page 804 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Nonequilibrium Quantum Transport Physics In Nanosystems Foundation Of Computational Nonequilibrium Physics In Nanoscience And Nanotechnology written by Felix A Buot and published by World Scientific. This book was released on 2009-08-05 with total page 838 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the first comprehensive treatment of discrete phase-space quantum mechanics and the lattice Weyl-Wigner formulation of energy band dynamics, by the originator of these theoretical techniques. The author's quantum superfield theoretical formulation of nonequilibrium quantum physics is given in real time, without the awkward use of artificial time contour employed in previous formulations. These two main quantum theoretical techniques combine to yield general (including quasiparticle-pairing dynamics) and exact quantum transport equations in phase-space, appropriate for nanodevices. The derivation of transport formulas in mesoscopic physics from the general quantum transport equations is also treated. Pioneering nanodevices are discussed in the light of the quantum-transport physics equations, and an in-depth treatment of the physics of resonant tunneling devices is given. Operator Hilbert-space methods and quantum tomography are discussed. Discrete phase-space quantum mechanics on finite fields is treated for completeness and by virtue of its relevance to quantum computing. The phenomenological treatment of evolution superoperator and measurements is given to help clarify the general quantum transport theory. Quantum computing and information theory is covered to demonstrate the foundational aspects of discrete quantum dynamics, particularly in deriving a complete set of multiparticle entangled basis states.

Download or read book Computational Nanotoxicology written by Agnieszka Gajewicz and published by CRC Press. This book was released on 2019-11-13 with total page 570 pages. Available in PDF, EPUB and Kindle. Book 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.