Download or read book Computational Education and Materials Science Aspects written by Ponnadurai Ramasami and published by Walter de Gruyter GmbH & Co KG. This book was released on 2022-10-03 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chapters collected from “The Virtual Conference on Chemistry and its Applications (VCCA-2021) – Research and Innovations in Chemical Sciences: Paving the Way Forward”. This conference was held in August 2021 and organized by the Computational Chemistry Group of the University of Mauritius. These peer-reviewed chapters offer insights into research on fundamental and applied chemistry with interdisciplinary subject matter.
Download or read book Computational Approaches to Materials Design written by Shubhabrata Datta and published by Engineering Science Reference. This book was released on 2016 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Brings together empirical research, theoretical concepts, and the various approaches in the design and discovery of new materials. Thois volume highlights optimization tools and soft computing methods, and is ideal for researchers, both in academia and in industrial settings, and practitioners who are interested in the application of computational techniques in materials engineering.
Download or read book Topics in Computational Materials Science written by Ching-yao Fong and published by World Scientific. This book was released on 1998 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the state-of-the-art research topics in theoretical materials science. It encompasses the computational methods and techniques which can advance more realistic calculations for understanding the physical principles in new growth methods of optoelectronic materials and related surface problems. These principles also govern the photonic, electronic, and structural properties of materials which are essential for device applications. They will also provide the crucial ingredients for the growth of future novel materials.
Download or read book Biochemical and Environmental Applications written by Ponnadurai Ramasami and published by Walter de Gruyter GmbH & Co KG. This book was released on 2022-10-03 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chapters collected from “The Virtual Conference on Chemistry and its Applications (VCCA-2021) – Research and Innovations in Chemical Sciences: Paving the Way Forward”. This conference was held in August 2021 and organized by the Computational Chemistry Group of the University of Mauritius. These peer-reviewed chapters offer insights into research on fundamental and applied chemistry with interdisciplinary subject matter.
Download or read book Organic and Natural Product Synthesis written by Ponnadurai Ramasami and published by Walter de Gruyter GmbH & Co KG. This book was released on 2022-10-03 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chapters collected from "The Virtual Conference on Chemistry and its Applications (VCCA-2021) – Research and Innovations in Chemical Sciences: Paving the Way Forward". This conference was held in August 2021 and organized by the Computational Chemistry Group of the University of Mauritius. These peer-reviewed chapters offer insights into research on fundamental and applied chemistry with interdisciplinary subject matter.
Download or read book Computational Materials Science written by Eugene Kotomin and published by IOS Press. This book was released on 2003 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Materials Science written by June Gunn Lee and published by CRC Press. This book was released on 2011-09-27 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Materials Science: An Introduction covers the essentials of computational science and explains how computational tools and techniques work to help solve materials science problems. The book focuses on two levels of a materials system: the electronic structure level of nuclei and electrons and the atomistic/molecular level. It presents computational treatments of these system levels using molecular dynamics (MD) and first-principles methods, since they are most relevant in materials science and engineering. After a general overview of computational science, the text introduces MD methods based on classical mechanics and covers their implementation with run examples of XMD and LAMMPS. The author discusses first-principles methods based on quantum mechanics at an introductory level, using illustrations and analogies to assist students in understanding this difficult subject. The book then describes the density functional theory (DFT)—the first-principles method that can handle materials practically. It also reveals how each orbital of electron leads to particular properties of solids, such as total energy, band structure, and barrier energy. The final chapter implements the DFT into actual calculations with various run examples via the VASP program. Computational methods are contributing more than ever to the development of advanced materials and new applications. For students and newcomers to computational science, this text shows how computational science can be used as a tool for solving materials problems. Further reading sections provide students with more advanced references.
Download or read book Computational Materials Engineering written by Koenraad George Frans Janssens and published by Academic Press. This book was released on 2010-07-26 with total page 359 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior, including the physical, thermal and chemical parameters, as well as the mathematical tools used to perform simulations. Its emphasis will be on crystalline materials, which includes all metals. The basis of Computational Materials Engineering allows scientists and engineers to create virtual simulations of material behavior and properties, to better understand how a particular material works and performs and then use that knowledge to design improvements for particular material applications. The text displays knowledge of software designers, materials scientists and engineers, and those involved in materials applications like mechanical engineers, civil engineers, electrical engineers, and chemical engineers. Readers from students to practicing engineers to materials research scientists will find in this book a single source of the major elements that make up contemporary computer modeling of materials characteristics and behavior. The reader will gain an understanding of the underlying statistical and analytical tools that are the basis for modeling complex material interactions, including an understanding of computational thermodynamics and molecular kinetics; as well as various modeling systems. Finally, the book will offer the reader a variety of algorithms to use in solving typical modeling problems so that the theory presented herein can be put to real-world use. Balanced coverage of fundamentals of materials modeling, as well as more advanced aspects of modeling, such as modeling at all scales from the atomic to the molecular to the macro-material Concise, yet rigorous mathematical coverage of such analytical tools as the Potts type Monte Carlo method, cellular automata, phase field, dislocation dynamics and Finite Element Analysis in statistical and analytical modeling
Download or read book Computational Materials Discovery written by Artem Oganov and published by Royal Society of Chemistry. This book was released on 2018-10-30 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: New technologies are made possible by new materials, and until recently new materials could only be discovered experimentally. Recent advances in solving the crystal structure prediction problem means that the computational design of materials is now a reality. Computational Materials Discovery provides a comprehensive review of this field covering different computational methodologies as well as specific applications of materials design. The book starts by illustrating how and why first-principle calculations have gained importance in the process of materials discovery. The book is then split into three sections, the first exploring different approaches and ideas including crystal structure prediction from evolutionary approaches, data mining methods and applications of machine learning. Section two then looks at examples of designing specific functional materials with special technological relevance for example photovoltaic materials, superconducting materials, topological insulators and thermoelectric materials. The final section considers recent developments in creating low-dimensional materials. With contributions from pioneers and leaders in the field, this unique and timely book provides a convenient entry point for graduate students, researchers and industrial scientists on both the methodologies and applications of the computational design of materials.
Download or read book Proceedings of the 2nd World Congress on Integrated Computational Materials Engineering ICME written by Mei Li and published by Springer. This book was released on 2016-12-19 with total page 303 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book represents a collection of papers presented at the 2nd World Congress on Integrated Computational Materials Engineering (ICME), a specialty conference organized by The Minerals, Metals & Materials Society (TMS).
Download or read book Introduction to Computational Materials Science written by Richard LeSar and published by . This book was released on 2013 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt: Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behavior. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modeling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.
Download or read book Materials Science and Engineering for the 1990s written by National Research Council and published by National Academies Press. This book was released on 1989-02-01 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: Materials science and engineering (MSE) contributes to our everyday lives by making possible technologies ranging from the automobiles we drive to the lasers our physicians use. Materials Science and Engineering for the 1990s charts the impact of MSE on the private and public sectors and identifies the research that must be conducted to help America remain competitive in the world arena. The authors discuss what current and future resources would be needed to conduct this research, as well as the role that industry, the federal government, and universities should play in this endeavor.
Download or read book Materials Research to Meet 21st Century Defense Needs written by National Research Council and published by National Academies Press. This book was released on 2003-03-25 with total page 660 pages. Available in PDF, EPUB and Kindle. Book excerpt: In order to achieve the revolutionary new defense capabilities offered by materials science and engineering, innovative management to reduce the risks associated with translating research results will be needed along with the R&D. While payoff is expected to be high from the promising areas of materials research, many of the benefits are likely to be evolutionary. Nevertheless, failure to invest in more speculative areas of research could lead to undesired technological surprises. Basic research in physics, chemistry, biology, and materials science will provide the seeds for potentially revolutionary technologies later in the 21st century.
Download or read book Materials Informatics written by Olexandr Isayev and published by . This book was released on 2019 with total page 306 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Integrated Design of Multiscale Multifunctional Materials and Products written by David L. McDowell and published by Butterworth-Heinemann. This book was released on 2009-09-30 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrated Design of Multiscale, Multifunctional Materials and Products is the first of its type to consider not only design of materials, but concurrent design of materials and products. In other words, materials are not just selected on the basis of properties, but the composition and/or microstructure iw designed to satisfy specific ranged sets of performance requirements. This book presents the motivation for pursuing concurrent design of materials and products, thoroughly discussing the details of multiscale modeling and multilevel robust design and provides details of the design methods/strategies along with selected examples of designing material attributes for specified system performance. It is intended as a monograph to serve as a foundational reference for instructors of courses at the senior and introductory graduate level in departments of materials science and engineering, mechanical engineering, aerospace engineering and civil engineering who are interested in next generation systems-based design of materials. First of its kind to consider not only design of materials, but concurrent design of materials and products Treatment of uncertainty via robust design of materials Integrates the "materials by design approach" of Olson/Ques Tek LLC with the "materials selection" approach of Ashby/Granta Distinquishes the processes of concurrent design of materials and products as an overall systems design problem from the field of multiscale modeling Systematic mathematical algorithms and methods are introduced for robust design of materials, rather than ad hoc heuristics--it is oriented towards a true systems approach to design of materials and products
Download or read book Computational Materials Science Theory and Applications written by Lily Chen and published by Willford Press. This book was released on 2018-02-19 with total page 203 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational materials science is a fast growing field. It involves computational tools for solving problems related to materials science. Different mathematical models are used for developing a better understanding of material structures and properties. Most research done in this field focuses on the behavior of materials at varied levels. This book on computational materials science is a collective contribution of a renowned group of international experts. It aims to serve as a resource guide for students and experts alike and contribute to the growth of the discipline.
Download or read book Resources in Education written by and published by . This book was released on 1992-04 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt:
