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Author: Simone Taioli
Publisher: Frontiers Media SA
ISBN: 2889197557
Category : Engineering (General). Civil engineering (General)
Languages : en
Pages : 93
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Book Description
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.
Author: Simone Taioli
Publisher: Frontiers Media SA
ISBN: 2889197557
Category : Engineering (General). Civil engineering (General)
Languages : en
Pages : 93
Get Book Here
Book Description
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.
Author: Taku Onishi
Publisher: Springer Nature
ISBN: 9811500061
Category : Science
Languages : en
Pages : 547
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Book Description
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.
Author: Masaaki Naka
Publisher: Trans Tech Publications Ltd
ISBN: 3038130117
Category : Technology & Engineering
Languages : en
Pages : 503
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Book Description
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
Author: Qihong Fang
Publisher: CRC Press
ISBN: 1000994996
Category : Technology & Engineering
Languages : en
Pages : 339
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Book Description
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.
Author:
Publisher: Elsevier
ISBN: 0081028660
Category : Science
Languages : en
Pages : 4871
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Book Description
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
Author: Alexander Mielke
Publisher: Springer Science & Business Media
ISBN: 3540356576
Category : Mathematics
Languages : en
Pages : 704
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Book Description
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.
Author: Bilen Emek Abali
Publisher: Springer Nature
ISBN: 3030504603
Category : Science
Languages : en
Pages : 491
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Book Description
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.
Author: Skylar Tibbits
Publisher: MIT Press
ISBN: 0262342480
Category : Architecture
Languages : en
Pages : 353
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Book Description
The first book on active matter, an emerging field focused on programming physical materials to assemble themselves, transform autonomously, and react to information. The past few decades brought a revolution in computer software and hardware; today we are on the cusp of a materials revolution. If yesterday we programmed computers and other machines, today we program matter itself. This has created new capabilities in design, computing, and fabrication, which allow us to program proteins and bacteria, to generate self-transforming wood products and architectural details, and to create clothing from “intelligent textiles” that grow themselves. This book offers essays and sample projects from the front lines of the emerging field of active matter. Active matter and programmable materials are at the intersection of science, art, design, and engineering, with applications in fields from biology and computer science to architecture and fashion. These essays contextualize current work and explore recent research. Sample projects, generously illustrated in color, show the range of possibilities envisioned by their makers. Contributors explore the design of active material at scales from nano to micro, kilo, and even planetary. They investigate processes of self-assembly at a microscopic level; test new materials that can sense and actuate themselves; and examine the potential of active matter in the built environment and in living and artificial systems. Active Matter is an essential guide to a field that could shape the future of design.
Author: Congrui Jin
Publisher: Springer
ISBN: 3319401246
Category : Technology & Engineering
Languages : en
Pages : 522
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Book Description
This contributed volume presents a multi-perspective collection of the latest research findings on oil and gas exploration and imparts insight that can greatly assist in understanding field behavior, design of test programs, and design of field operations. With this book, engineers also gain a powerful guide to the most commonly used numerical simulation methods that aid in reservoir modelling. In addition, the contributors explore development of technologies that allow for cost effective oil and gas exploration while minimizing the impact on our water resources, surface and groundwater aquifers, geological stability of impacted areas, air quality, and infrastructure assets such as roads, pipelines, water, and wastewater networks. Easy to understand, the book identifies equipment and procedural problems inherent to oil and gas operations and provides systematic approaches for solving them.
Author: Ali Soofastaei
Publisher: BoD – Books on Demand
ISBN: 1803569530
Category : Computers
Languages : en
Pages : 342
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Book Description
Numerical simulation is a powerful tool used in various fields of science and engineering to model complex systems and predict their behavior. It involves developing mathematical models that describe the behavior of a system and using computer algorithms to solve these models numerically. By doing so, researchers and engineers can study the behavior of a system in detail, which may only be possible with analytical methods. Numerical simulation has many advantages over traditional analytical methods. It allows researchers and engineers to study complex systems’ behavior in detail and predict their behavior in different scenarios. It also allows for the optimization of systems and the identification of design flaws before they are built. However, numerical simulation has its limitations. It requires significant computational resources, and the accuracy of the results depends on the quality of the mathematical models and the discretization methods used. Nevertheless, numerical simulation remains a valuable tool in many fields and its importance is likely to grow as computational resources become more powerful and widely available. Numerical simulation is widely used in physics, engineering, computer science, and mathematics. In physics, for example, numerical simulation is used to study the behavior of complex systems such as weather patterns, fluid dynamics, and particle interactions. In engineering, it is used to design and optimize systems such as aircraft, cars, and buildings. In computer science, numerical simulation models and optimization algorithms and data structures. In mathematics, it is used to study complex mathematical models and to solve complex equations. This book familiarizes readers with the practical application of the numerical simulation technique to solve complex analytical problems in different industries and sciences.
