Multiscale Simulation Methods For Nanomaterials
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Multiscale Simulation Methods For Nanomaterials
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Author : Richard B. Ross
language : en
Publisher: John Wiley & Sons
Release Date : 2008-02-04
Multiscale Simulation Methods For Nanomaterials written by Richard B. Ross and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-02-04 with Science categories.
This book stems from the American Chemical Society symposium, Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap, that delved into the latest methodologies and applications for largescale, multiscale, and mesoscale modeling and simulation. It presents real-world applications of simulated and synthesized materials, including organic-, inorganic-, bio-, and nanomaterials, and helps readers determine the best method for their simulation. It gets novices up to speed quickly and helps experienced practitioners discover novel approaches and alternatives.
Multiscale Modelling Methods For Applications In Materials Science
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Author : Ivan Kondov
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2013
Multiscale Modelling Methods For Applications In Materials Science written by Ivan Kondov and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with categories.
Multiscale Modeling And Analysis For Materials Simulation
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Author : Weizhu Bao
language : en
Publisher: World Scientific
Release Date : 2012
Multiscale Modeling And Analysis For Materials Simulation written by Weizhu Bao and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Mathematics categories.
The Institute for Mathematical Sciences at the National University of Singapore hosted a two-month research program on "Mathematical Theory and Numerical Methods for Computational Materials Simulation and Design" from 1 July to 31 August 2009. As an important part of the program, tutorials and special lectures were given by leading experts in the fields for participating graduate students and junior researchers. This invaluable volume collects four expanded lecture notes with self-contained tutorials. They cover a number of aspects on multiscale modeling, analysis and simulations for problems arising from materials science including some critical components in computational prediction of materials properties such as the multiscale properties of complex materials, properties of defects, interfaces and material microstructures under different conditions, critical issues in developing efficient numerical methods and analytic frameworks for complex and multiscale materials models. This volume serves to inspire graduate students and researchers who choose to embark into original research work in these fields.
Computational Finite Element Methods In Nanotechnology
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Author : Sarhan M. Musa
language : en
Publisher: CRC Press
Release Date : 2017-12-19
Computational Finite Element Methods In Nanotechnology written by Sarhan M. Musa and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-12-19 with Science categories.
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.
Multiscale Methods
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Author : Jacob Fish
language : en
Publisher: OUP Oxford
Release Date : 2009-10-22
Multiscale Methods written by Jacob Fish and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-10-22 with Mathematics categories.
Small scale features and processes occurring at nanometer and femtosecond scales have a profound impact on what happens at a larger scale and over an extensive period of time. The primary objective of this volume is to reflect the state-of-the-art in multiscale mathematics, modeling, and simulations and to address the following barriers: What is the information that needs to be transferred from one model or scale to another and what physical principles must be satisfied during the transfer of information? What are the optimal ways to achieve such transfer of information? How can variability of physical parameters at multiple scales be quantified and how can it be accounted for to ensure design robustness? The multiscale approaches in space and time presented in this volume are grouped into two main categories: information-passing and concurrent. In the concurrent approaches various scales are simultaneously resolved, whereas in the information-passing methods the fine scale is modeled and its gross response is infused into the continuum scale. The issue of reliability of multiscale modeling and simulation tools which focus on a hierarchy of multiscale models and an a posteriori model of error estimation including uncertainty quantification, is discussed in several chapters. Component software that can be effectively combined to address a wide range of multiscale simulations is also described. Applications range from advanced materials to nanoelectromechanical systems (NEMS), biological systems, and nanoporous catalysts where physical phenomena operates across 12 orders of magnitude in time scales and 10 orders of magnitude in spatial scales. This volume is a valuable reference book for scientists, engineers and graduate students practicing in traditional engineering and science disciplines as well as in emerging fields of nanotechnology, biotechnology, microelectronics and energy.
Clay Polymer Nanocomposites
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Author : Khouloud Jlassi
language : en
Publisher: Elsevier
Release Date : 2017-07-26
Clay Polymer Nanocomposites written by Khouloud Jlassi and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-07-26 with Technology & Engineering categories.
Clay–Polymer Nanocomposites is a complete summary of the existing knowledge on this topic, from the basic concepts of synthesis and design to their applications in timely topics such as high-performance composites, environment, and energy issues. This book covers many aspects of synthesis such as in- situ polymerization within the interlamellar spacing of the clays or by reaction of pristine or pre-modified clays with reactive polymers and prepolymers. Indeed, nanocomposites can be prepared at industrial scale by melt mixing. Regardless the synthesis method, much is said in this book about the importance of theclay pre-modification step, which is demonstrated to be effective, on many occasions, in obtaining exfoliated nanocomposites. Clay–Polymer Nanocomposites reports the background to numerous characterization methods including solid state NMR, neutron scattering, diffraction and vibrational techniques as well as surface analytical methods, namely XPS, inverse gas chromatography and nitrogen adsorption to probe surface composition, wetting and textural/structural properties. Although not described in dedicated chapters, numerous X-ray diffraction patterns of clay–polymer nanocomposites and reference materials are displayed to account for the effects of intercalation and exfoliations of layered aluminosilicates. Finally, multiscale molecular simulation protocols are presenting for predicting morphologies and properties of nanostructured polymer systems with industrial relevance. As far as applications are concerned, Clay–Polymer Nanocomposites examines structural composites such as clay–epoxy and clay–biopolymers, the use of clay–polymer nanocomposites as reactive nanocomposite fillers, catalytic clay-(conductive) polymers and similar nanocomposites for the uptake of hazardous compounds or for controlled drug release, antibacterial applications, energy storage, and more. - The most comprehensive coverage of the state of the art in clay–polymer nanocomposites, from synthesis and design to opportunities and applications - Covers the various methods of characterization of clay–polymer nanocomposites - including spectroscopy, thermal analyses, and X-ray diffraction - Includes a discussion of a range of application areas, including biomedicine, energy storage, biofouling resistance, and more
Nanomaterials Design And Simulation
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Author : Perla Balbuena
language : en
Publisher: Elsevier
Release Date : 2006-11-02
Nanomaterials Design And Simulation written by Perla Balbuena and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-11-02 with Science categories.
Over the past few decades, several approaches have been developed for designing nano-structured or molecularly-structured materials. These advances have revolutionized practically all fields of science and engineering, providing an additional design variable, the feature size of the nano-structures, which can be tailored to provide new materials with very special characteristics. Nanomaterials: Design and Simulation explores the role that such advances have made toward a rational design of nanostructures and covers a variety of methods from ab initio electronic structure techniques, ab initio molecular dynamics, to classical molecular dynamics, also being complemented by coarse-graining and continuum methods. Also included is an overview of how the development of these computational tools has enabled the possibility of exploring nanoscopic details and using such information for the prediction of physical and chemical properties that are not always possible to be obtained experimentally.* Provides an overview of approaches that have been developed for designing nano-structured or molecularly-structured materials.* This volume covers several aspects of the simulation and design of nanomaterials analyzed by a selected group of active researchers in the field. * Looks at how the advancement of computational tools have enabled nanoscopic prediction of physical and chemical properties
Modeling Characterization And Production Of Nanomaterials
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Author : Vinod Tewary
language : en
Publisher: Woodhead Publishing
Release Date : 2022-11-09
Modeling Characterization And Production Of Nanomaterials written by Vinod Tewary and has been published by Woodhead Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-11-09 with Technology & Engineering categories.
Nano-scale materials have unique electronic, optical, and chemical properties that make them attractive for a new generation of devices. In the second edition of Modeling, Characterization, and Production of Nanomaterials: Electronics, Photonics, and Energy Applications, leading experts review the latest advances in research in the understanding, prediction, and methods of production of current and emerging nanomaterials for key applications. The chapters in the first half of the book cover applications of different modeling techniques, such as Green's function-based multiscale modeling and density functional theory, to simulate nanomaterials and their structures, properties, and devices. The chapters in the second half describe the characterization of nanomaterials using advanced material characterization techniques, such as high-resolution electron microscopy, near-field scanning microwave microscopy, confocal micro-Raman spectroscopy, thermal analysis of nanoparticles, and applications of nanomaterials in areas such as electronics, solar energy, catalysis, and sensing. The second edition includes emerging relevant nanomaterials, applications, and updated modeling and characterization techniques and new understanding of nanomaterials. - Covers the close connection between modeling and experimental methods for studying a wide range of nanomaterials and nanostructures - Focuses on practical applications and industry needs through a solid outlining of the theoretical background - Includes emerging nanomaterials and their applications in spintronics and sensing
Computational Design Of Engineering Materials
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Author : Yong Du
language : en
Publisher: Cambridge University Press
Release Date : 2023-06-29
Computational Design Of Engineering Materials written by Yong Du and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-06-29 with Technology & Engineering categories.
Introducing state-of-the art computational methods, this book combines detailed explanations with real-world case studies to give a full grounding in the design of engineering materials. This book presents a wide spectrum of key computational methods, such as CALPHAD-method, first-principles calculations, phase-field simulation and finite element analysis, covering the atomic-meso-macro scale range. The reader will see these methods applied to case studies for steel, light alloys, superalloys, cemented carbides, hard coating and energy materials, demonstrating in detail how real-world materials are designed. Online ancillary material includes input files for computational design software, providing the reader with hands-on design experience. Step-by-step instructions will allow you to perform and repeat the simulations discussed in the book. Aimed at both graduate and undergraduate students as well as non-specialist researchers in materials science and engineering, including ceramics, metallurgy, and chemistry, this is an ideal introductory and reference book.
Models Databases And Simulation Tools Needed For Realization Of Integrated Computational Mat Eng Icme 2010
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Author : Steven M. Arnold and Terry T. Wong, Editors
language : en
Publisher: ASM International
Release Date : 2011
Models Databases And Simulation Tools Needed For Realization Of Integrated Computational Mat Eng Icme 2010 written by Steven M. Arnold and Terry T. Wong, Editors and has been published by ASM International this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with Technology & Engineering categories.