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Information Science For Materials Discovery And Design

Author: Turab Lookman
Publisher: Springer
ISBN: 331923871X
Size: 41.68 MB
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This book deals with an information-driven approach to plan materials discovery and design, iterative learning. The authors present contrasting but complementary approaches, such as those based on high throughput calculations, combinatorial experiments or data driven discovery, together with machine-learning methods. Similarly, statistical methods successfully applied in other fields, such as biosciences, are presented. The content spans from materials science to information science to reflect the cross-disciplinary nature of the field. A perspective is presented that offers a paradigm (codesign loop for materials design) to involve iteratively learning from experiments and calculations to develop materials with optimum properties. Such a loop requires the elements of incorporating domain materials knowledge, a database of descriptors (the genes), a surrogate or statistical model developed to predict a given property with uncertainties, performing adaptive experimental design to guide the next experiment or calculation and aspects of high throughput calculations as well as experiments. The book is about manufacturing with the aim to halving the time to discover and design new materials. Accelerating discovery relies on using large databases, computation, and mathematics in the material sciences in a manner similar to the way used to in the Human Genome Initiative. Novel approaches are therefore called to explore the enormous phase space presented by complex materials and processes. To achieve the desired performance gains, a predictive capability is needed to guide experiments and computations in the most fruitful directions by reducing not successful trials. Despite advances in computation and experimental techniques, generating vast arrays of data; without a clear way of linkage to models, the full value of data driven discovery cannot be realized. Hence, along with experimental, theoretical and computational materials science, we need to add a “fourth leg’’ to our toolkit to make the “Materials Genome'' a reality, the science of Materials Informatics.

Computational Materials Design

Author: Tetsuya Saito
Publisher: Springer Science & Business Media
ISBN: 3662039230
Size: 38.53 MB
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This book consists of ten chapters which outline a wide range of technologies from first-principle calculations to continuum mechanics, with applications to materials design and development. Written with a clear exposition, this book will be invaluable for engineers who want to learn about the modern technologies and techniques utilized in materials design.

Multiscale Paradigms In Integrated Computational Materials Science And Engineering

Author: Pierre A. Deymier
Publisher: Springer
ISBN: 3319245295
Size: 74.67 MB
Format: PDF
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This book presents cutting-edge concepts, paradigms, and research highlights in the field of computational materials science and engineering, and provides a fresh, up-to-date perspective on solving present and future materials challenges. The chapters are written by not only pioneers in the fields of computational materials chemistry and materials science, but also experts in multi-scale modeling and simulation as applied to materials engineering. Pedagogical introductions to the different topics and continuity between the chapters are provided to ensure the appeal to a broad audience and to address the applicability of integrated computational materials science and engineering for solving real-world problems.

Computational Materials Science

Author: Kaoru Ohno
Publisher: Springer Science & Business Media
ISBN: 3642598595
Size: 41.23 MB
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Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics.

Computational Materials Science

Author: Wofram Hergert
Publisher: Springer Science & Business Media
ISBN: 9783540210511
Size: 42.43 MB
Format: PDF, ePub
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Computational Physics is now a discipline in its own right, comparable with theoretical and experimental physics. Computational Materials Science concentrates on the calculation of materials properties starting from microscopic theories. It has become a powerful tool in industrial research for designing new materials, modifying materials properties and optimizing chemical processes. This book focusses on the application of computational methods in new fields of research, such as nanotechnology, spintronics and photonics, which will provide the foundation for important technological advances in the future. Methods such as electronic structure calculations, molecular dynamics simulations and beyond are presented, the discussion extending from the basics to the latest applications.

Technology And Applications Of Amorphous Silicon

Author: Robert Street
Publisher: Springer Science & Business Media
ISBN: 3662041413
Size: 57.75 MB
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This book gives the first systematic and complete survey of technology and application of amorphous silicon, a material with a huge potential in electronic applications. The book features contributions by world-wide leading researchers in this field.

Applied Computational Materials Modeling

Author: Guillermo Bozzolo
Publisher: Springer Science & Business Media
ISBN: 0387345655
Size: 22.57 MB
Format: PDF
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The scope of this book is to identify and emphasize the successful link between computational materials modeling as a simulation and design tool and its synergistic application to experimental research and alloy development. The book provides a more balanced perspective of the role that computational modeling can play in every day research and development efforts. Each chapter describes one or more particular computational tool and how they are best used.

Lasers In Materials Science

Author: Marta Castillejo
Publisher: Springer Science & Business Media
ISBN: 3319028987
Size: 62.98 MB
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This book covers various aspects of lasers in materials science, including a comprehensive overview on basic principles of laser-materials interactions and applications enabled by pulsed laser systems. The material is organized in a coherent way, providing the reader with a harmonic architecture. While systematically covering the major current and emerging areas of lasers processing applications, the Volume provides examples of targeted modification of material properties achieved through careful control of the processing conditions and laser irradiation parameters. Special emphasis is placed on specific strategies aimed at nanoscale control of material structure and properties to match the stringent requirements of modern applications. Laser fabrication of novel nanomaterials, which expands to the domains of photonics, photovoltaics, sensing, and biomedical applications, is also discussed in the Volume. This book assembles chapters based on lectures delivered at the Venice International School on Lasers in Materials Science which was held in Isola di San Servolo, Venice, Italy, in July, 2012.

Computational Materials System Design

Author: Dongwon Shin
Publisher: Springer
ISBN: 3319682806
Size: 27.28 MB
Format: PDF, Docs
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This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.

Computational Neuroscience

Author: Hanspeter Mallot
Publisher: Springer Science & Business Media
ISBN: 3319008617
Size: 59.42 MB
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Computational Neuroscience - A First Course provides an essential introduction to computational neuroscience and equips readers with a fundamental understanding of modeling the nervous system at the membrane, cellular, and network level. The book, which grew out of a lecture series held regularly for more than ten years to graduate students in neuroscience with backgrounds in biology, psychology and medicine, takes its readers on a journey through three fundamental domains of computational neuroscience: membrane biophysics, systems theory and artificial neural networks. The required mathematical concepts are kept as intuitive and simple as possible throughout the book, making it fully accessible to readers who are less familiar with mathematics. Overall, Computational Neuroscience - A First Course represents an essential reference guide for all neuroscientists who use computational methods in their daily work, as well as for any theoretical scientist approaching the field of computational neuroscience.