New Frontiers In Multiscale Modelling Of Advanced Materials

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New Frontiers In Multiscale Modelling Of Advanced Materials

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Author : Simone Taioli
language : en
Publisher: Frontiers Media SA
Release Date : 2016-01-22

New Frontiers In Multiscale Modelling Of Advanced Materials written by Simone Taioli and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-01-22 with Engineering (General). Civil engineering (General) categories.

Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This Research Topic aims at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques are included along with the application of these methods to systems at increasing level of complexity, from nano to micro. Crossing the borders between several computational, theoretical and experimental techniques, this Research Topic aims to be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.

New Frontiers In Multiscale Modelling Of Advanced Materials

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Author :
language : en
Publisher:
Release Date : 2016

New Frontiers In Multiscale Modelling Of Advanced Materials written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016 with categories.

Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This Research Topic aims at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques are included along with the application of these methods to systems at increasing level of complexity, from nano to micro. Crossing the borders between several computational, theoretical and experimental techniques, this Research Topic aims to be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.

Theoretical Chemistry For Advanced Nanomaterials

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Author : Taku Onishi
language : en
Publisher: Springer Nature
Release Date : 2020-02-03

Theoretical Chemistry For Advanced Nanomaterials written by Taku Onishi and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-02-03 with Science categories.

This book collects recent topics of theoretical chemistry for advanced nanomaterials from the points of view of both computational and experimental chemistry. It is written for computational and experimental chemists, including undergraduate students, who are working with advanced nanomaterials, where collaboration and interplay between computation and experiment are essential. After the general introduction of nanomaterials, several computational approaches are explained in Part II. Each chapter presents not only calculation methods but also concrete calculation results for advanced nanomaterials. Hydride ion conducting nanomaterials, high-k dielectric nanomaterials, and organic electronics are focused on. In Part III, the interplay between computational and experimental approaches is explained. The chapters show calculation results, combined with corresponding experimental data. Dimensionality of nanomaterials, electronic structure of oligomers and nanorods, carbon nanomaterials, and the electronic structure of a nanosized sandwich cluster is looked at carefully. In Part IV, functionality analysis is explained from the point of view of the experimental approach. The emphasis is on the mechanism of photoluminescence and hydrogen generation using silicon nanopowder, the superionic conducting mechanism of glass ceramics, nanoclusters formation on the surface of metal oxides, and the magnetic property of an organic one-dimensional nanochannel. Finally, forthcoming theoretical methods for excited states and quantum dynamics are introduced in Part V.

New Frontiers Of Processing And Engineering In Advanced Materials

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Author : Masaaki Naka
language : en
Publisher: Trans Tech Publications Ltd
Release Date : 2005-12-15

New Frontiers Of Processing And Engineering In Advanced Materials written by Masaaki Naka and has been published by Trans Tech Publications Ltd this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-12-15 with Technology & Engineering categories.

PSEA'04 Proceedings of the International Conference on New Frontiers of Process Science and Engineering in Advanced Materails, The 14th Iketani Conference, PSEA’04, November, 24-26, 2005 held in Kyoto, Japan

Mechanical Behavior Of Advanced Materials Modeling And Simulation

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Author : Qihong Fang
language : en
Publisher: CRC Press
Release Date : 2023-11-30

Mechanical Behavior Of Advanced Materials Modeling And Simulation written by Qihong Fang and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-11-30 with Science categories.

With the recent developments in the field of advanced materials, there exists a need for a systematic summary and detailed introduction of the modeling and simulation methods for these materials. This book provides a comprehensive description of the mechanical behavior of advanced materials using modeling and simulation. It includes materials such as high-entropy alloys, high-entropy amorphous alloys, nickel-based superalloys, light alloys, electrode materials, and nanostructured reinforced composites. Reviews the performance and application of a variety of advanced materials and provides the detailed theoretical modeling and simulation of mechanical properties Covers the topics of deformation, fracture, diffusion, and fatigue Features worked examples and exercises that help readers test their understanding This book is aimed at researchers and advanced students in solid mechanics, material science, engineering, material chemistry, and those studying the mechanics of materials.

Comprehensive Nuclear Materials

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Author :
language : en
Publisher: Elsevier
Release Date : 2020-07-22

Comprehensive Nuclear Materials written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-07-22 with Science categories.

Materials in a nuclear environment are exposed to extreme conditions of radiation, temperature and/or corrosion, and in many cases the combination of these makes the material behavior very different from conventional materials. This is evident for the four major technological challenges the nuclear technology domain is facing currently: (i) long-term operation of existing Generation II nuclear power plants, (ii) the design of the next generation reactors (Generation IV), (iii) the construction of the ITER fusion reactor in Cadarache (France), (iv) and the intermediate and final disposal of nuclear waste. In order to address these challenges, engineers and designers need to know the properties of a wide variety of materials under these conditions and to understand the underlying processes affecting changes in their behavior, in order to assess their performance and to determine the limits of operation. Comprehensive Nuclear Materials, Second Edition, Seven Volume Set provides broad ranging, validated summaries of all the major topics in the field of nuclear material research for fission as well as fusion reactor systems. Attention is given to the fundamental scientific aspects of nuclear materials: fuel and structural materials for fission reactors, waste materials, and materials for fusion reactors. The articles are written at a level that allows undergraduate students to understand the material, while providing active researchers with a ready reference resource of information. Most of the chapters from the first Edition have been revised and updated and a significant number of new topics are covered in completely new material. During the ten years between the two editions, the challenge for applications of nuclear materials has been significantly impacted by world events, public awareness, and technological innovation. Materials play a key role as enablers of new technologies, and we trust that this new edition of Comprehensive Nuclear Materials has captured the key recent developments. Critically reviews the major classes and functions of materials, supporting the selection, assessment, validation and engineering of materials in extreme nuclear environments Comprehensive resource for up-to-date and authoritative information which is not always available elsewhere, even in journals Provides an in-depth treatment of materials modeling and simulation, with a specific focus on nuclear issues Serves as an excellent entry point for students and researchers new to the field

Analysis Modeling And Simulation Of Multiscale Problems

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Author : Alexander Mielke
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-10-14

Analysis Modeling And Simulation Of Multiscale Problems written by Alexander Mielke and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-10-14 with Mathematics categories.

This book reports recent mathematical developments in the Programme "Analysis, Modeling and Simulation of Multiscale Problems", which started as a German research initiative in 2006. Multiscale problems occur in many fields of science, such as microstructures in materials, sharp-interface models, many-particle systems and motions on different spatial and temporal scales in quantum mechanics or in molecular dynamics. The book presents current mathematical foundations of modeling, and proposes efficient numerical treatment.

Developments And Novel Approaches In Nonlinear Solid Body Mechanics

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Author : Bilen Emek Abali
language : en
Publisher: Springer Nature
Release Date : 2020-07-18

Developments And Novel Approaches In Nonlinear Solid Body Mechanics written by Bilen Emek Abali and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-07-18 with Science categories.

This book features selected manuscripts presented at ICoNSoM 2019, exploring cutting-edge methods for developing novel models in nonlinear solid mechanics. Innovative methods like additive manufacturing—for example, 3D printing— and miniaturization mean that engineers need more accurate techniques for modeling solid body mechanics. The book focuses on the formulation of continuum and discrete models for complex materials and systems, particularly the design of metamaterials.

Applied Linear Algebra

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Author : Kartikeya Dutta
language : en
Publisher: Educohack Press
Release Date : 2025-02-20

Applied Linear Algebra written by Kartikeya Dutta and has been published by Educohack Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-20 with Science categories.

"Applied Linear Algebra: Core Principles" is a comprehensive guide that delves into the principles, methodologies, and practical applications of linear algebra in various fields of science, engineering, and technology. Combining theoretical foundations, computational techniques, and real-world examples, this book offers a holistic approach to understanding and utilizing linear algebra concepts. Covering a wide range of topics, including vector spaces, matrices, eigenvalue problems, singular value decomposition, and numerical techniques, readers will gain a thorough understanding of both fundamental and advanced principles. Real-world applications in data science, machine learning, signal processing, control systems, and image processing are integrated throughout, demonstrating the practical relevance of linear algebra. Complex mathematical concepts are presented in a clear and accessible manner, making the book suitable for students, researchers, and practitioners with varying levels of mathematical background. Detailed explanations, illustrative examples, and step-by-step solutions aid comprehension and retention. An interdisciplinary approach connects theoretical concepts with practical applications, highlighting the versatility of linear algebra in solving real-world problems. Extensive references to literature, research papers, and online resources enable readers to explore topics in greater depth. This book is an invaluable resource for students, researchers, and professionals seeking to apply linear algebra techniques in their work across various domains.

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.