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Author :
Publisher :
ISBN 13 : 9814466824
Total Pages : pages
Book Rating : 4.8/5 (144 download)
Download or read book Computational Studies of New Materials II written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Thomas F. George
Publisher : World Scientific
ISBN 13 : 9814287180
Total Pages : 540 pages
Book Rating : 4.8/5 (142 download)
Download or read book Computational Studies of New Materials II written by Thomas F. George and published by World Scientific. This book was released on 2011 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Studies of New Materials was published by World Scientific in 1999 and edited by Daniel Jelski and Thomas F George. Much has happened during the past decade. Advances have been made on the same materials discussed in the 1999 book, including fullerenes, polymers and nonlinear optical processes in materials, which are presented in this 2010 book. In addition, different materials and topics are comprehensively covered, including nanomedicine, hydrogen storage materials, ultrafast laser processes, magnetization and light-emitting diodes.
Author : Thomas F George
Publisher : World Scientific
ISBN 13 : 9814496693
Total Pages : 464 pages
Book Rating : 4.8/5 (144 download)
Download or read book Computational Studies Of New Materials written by Thomas F George and published by World Scientific. This book was released on 1999-03-26 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: This important book is a collection of articles discussing computational studies of new materials. It is intended not only for workers in computational materials science, but also for people with a broader interest in the materials being discussed. The emphasis, therefore, is on the materials, and not primarily on the development of new computational tools. The specific topics covered are: surface-induced optical effects; adsorbates; crystals; semiconductors; clusters; fullerenes; fractals; and liquid helium.
Author : June Gunn Lee
Publisher : CRC Press
ISBN 13 : 1000005232
Total Pages : 376 pages
Book Rating : 4.0/5 ( download)
Download or read book Computational Materials Science written by June Gunn Lee and published by CRC Press. This book was released on 2016-11-25 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.
Author : Wofram Hergert
Publisher : Springer Science & Business Media
ISBN 13 : 9783540210511
Total Pages : 346 pages
Book Rating : 4.2/5 (15 download)
Download or read book Computational Materials Science written by Wofram Hergert and published by Springer Science & Business Media. This book was released on 2004-04-29 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Artem Oganov
Publisher : Royal Society of Chemistry
ISBN 13 : 1782629610
Total Pages : 456 pages
Book Rating : 4.7/5 (826 download)
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.
Author : Renat R. Letfullin
Publisher : Springer
ISBN 13 : 3319435779
Total Pages : 682 pages
Book Rating : 4.3/5 (194 download)
Download or read book Computational Nanomedicine and Nanotechnology written by Renat R. Letfullin and published by Springer. This book was released on 2017-02-10 with total page 682 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook, aimed at advanced undergraduate and graduate students, introduces the basic knowledge required for nanomedicine and nanotechnology, and emphasizes how the combined use of chemistry and light with nanoparticles can serve as treatments and therapies for cancer. This includes nanodevices, nanophototherapies, nanodrug design, and laser heating of nanoparticles and cell organelles. In addition, the book covers the emerging fields of nanophotonics and nanoplasmonics, which deal with nanoscale confinement of radiation and optical interactions on a scale much smaller than the wavelength of the light. The applications of nanophotonics and nanoplasmonics to biomedical research discussed in the book range from optical biosensing to photodynamic therapies.Cutting-edge and reflective of the multidisciplinary nature of nanomedicine, this book effectively combines knowledge and modeling from nanoscience, medicine, biotechnology, physics, optics, engineering, and pharmacy in an easily digestible format. Among the topics covered in-depth are:• The structure of cancer cells and their properties, as well as techniques for selective targeting of cancer and gene therapy.• Nanoplasmonics: Lorentz-Mie simulations of optical properties of nanoparticles and the use of plasmonic nanoparticles in diagnosis and therapy.• Nanophotonics: short and ultrashort laser pulse interactions with nanostructures, time and space simulations of thermal fields in and around the nanobioparticles, and nanoclusters heated by radiation.• Modeling of soft and hard biological tissue ablation by activated nanoparticles, as well as optical, thermal, kinetic, and dynamic modeling.• Detection techniques, including the design and methods of activation of nanodrugs and plasmon resonance detection techniques.• Design and fabrication of nanorobots and nanoparticles.• Effective implementation of nanotherapy treatments.• Nanoheat transfer, particularly the heating and cooling kinetics of nanoparticles.• ...and more!Each chapter contains a set of lectures in the form of text for student readers and PowerPoints for use by instructors, as well as homework exercises. Selected chapters also contain computer practicums, including Maple codes and worked-out examples. This book helps readers become more knowledgeable and versant in nanomedicine and nanotechnology, inspires readers to work creatively and go beyond the ideas and topics presented within, and is sufficiently comprehensive to be of value to research scientists as well as students.
Author : Kaoru Ohno
Publisher : Springer
ISBN 13 : 3662565420
Total Pages : 427 pages
Book Rating : 4.6/5 (625 download)
Download or read book Computational Materials Science written by Kaoru Ohno and published by Springer. This book was released on 2018-04-14 with total page 427 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to calculate the physical and chemical properties by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Problems and solutions are provided to facilitate understanding. Readers will gain sufficient knowledge to begin theoretical studies in modern materials research. This second edition includes a lot of recent theoretical techniques in materials research. With the computers power now available, it is possible to use these numerical techniques to study various physical and chemical properties of complex materials from first principles. The new edition also covers empirical methods, such as tight-binding and molecular dynamics.
Author : Richard LeSar
Publisher : Cambridge University Press
ISBN 13 : 1107328144
Total Pages : pages
Book Rating : 4.1/5 (73 download)
Download or read book Introduction to Computational Materials Science written by Richard LeSar and published by Cambridge University Press. This book was released on 2013-03-28 with total page 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 behaviour. 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. Modelling 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.
Author : Dierk Raabe
Publisher : Wiley-VCH
ISBN 13 :
Total Pages : 408 pages
Book Rating : 4.3/5 (91 download)
Download or read book Computational Materials Science written by Dierk Raabe and published by Wiley-VCH. This book was released on 1998-10-27 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modeling and simulation play an ever increasing role in the development and optimization of materials. Computational Materials Science presents the most important approaches in this new interdisciplinary field of materials science and engineering. The reader will learn to assess which numerical method is appropriate for performing simulations at the various microstructural levels and how they can be coupled. This book addresses graduate students and professionals in materials science and engineering as well as materials-oriented physicists and mechanical engineers.
Author : Ching-yao Fong
Publisher : World Scientific
ISBN 13 : 9789810231491
Total Pages : 400 pages
Book Rating : 4.2/5 (314 download)
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.
Author : Artem R Oganov
Publisher : Royal Society of Chemistry
ISBN 13 : 1788015622
Total Pages : 470 pages
Book Rating : 4.7/5 (88 download)
Download or read book Computational Materials Discovery written by Artem R Oganov and published by Royal Society of Chemistry. This book was released on 2018-10-30 with total page 470 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.
Author : Ilya V. Shadrivov
Publisher : Springer
ISBN 13 : 3319083864
Total Pages : 324 pages
Book Rating : 4.3/5 (19 download)
Download or read book Nonlinear, Tunable and Active Metamaterials written by Ilya V. Shadrivov and published by Springer. This book was released on 2014-11-01 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metamaterials, artificial electromagnetic media achieved by structuring on the subwave-length-scale were initially suggested for the negative index and superlensing. They became a paradigm for engineering electromagnetic space and controlling propagation of waves. The research agenda is now shifting on achieving tuneable, switchable, nonlinear and sensing functionalities. The time has come to talk about the emerging research field of metadevices employing active and tunable metamaterials with unique functionalities achieved by structuring of functional matter on the subwave-length scale. This book presents the first systematic and comprehensive summary of the reviews written by the pioneers and top-class experts in the field of metamaterials. It addresses many grand challenges of the cutting edge research for creating smaller and more efficient photonic structures and devices.
Author : Inamuddin
Publisher : Springer
ISBN 13 : 3030053997
Total Pages : 1424 pages
Book Rating : 4.0/5 (3 download)
Download or read book Sustainable Polymer Composites and Nanocomposites written by Inamuddin and published by Springer. This book was released on 2019-02-01 with total page 1424 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents emerging economical and environmentally friendly polymer composites that are free of the side effects observed in traditional composites. It focuses on eco-friendly composite materials using granulated cork, a by-product of the cork industry; cellulose pulp from the recycling of paper residues; hemp fibers; and a range of other environmentally friendly materials procured from various sources. The book presents the manufacturing methods, properties and characterization techniques of these eco-friendly composites. The respective chapters address classical and recent aspects of eco-friendly polymer composites and their chemistry, along with practical applications in the biomedical, pharmaceutical, automotive and other sectors. Topics addressed include the fundamentals, processing, properties, practicality, drawbacks and advantages of eco-friendly polymer composites. Featuring contributions by experts in the field with a variety of backgrounds and specialties, the book will appeal to researchers and students in the fields of materials science and environmental science. Moreover, it fills the gap between research work in the laboratory and practical applications in related industries.
Author : M. Doyama
Publisher : Elsevier
ISBN 13 : 1483291472
Total Pages : 980 pages
Book Rating : 4.4/5 (832 download)
Download or read book Computer Aided Innovation of New Materials II written by M. Doyama and published by Elsevier. This book was released on 2017-01-31 with total page 980 pages. Available in PDF, EPUB and Kindle. Book excerpt: With advanced materials being in the midst of a widely acknowledged revolution, there is relentless pressure on scientists and engineers to be on the cutting edge of emerging theories and design methodologies. The 379 papers in this two part volume bring together the experience of specialists in the entire field of applications of Materials Science. This multidisciplinary meeting was held to bring together workers in a wide range of materials science and engineering activities who employ common analytical and experimental methods in their day to day work. The results of the meeting are of worldwide interest, and will help to stimulate future research and analysis in this area.
Author : Eugene Kotomin
Publisher : IOS Press
ISBN 13 : 9781586033354
Total Pages : 450 pages
Book Rating : 4.0/5 (333 download)
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:
Author : National Research Council
Publisher : National Academies Press
ISBN 13 : 0309119995
Total Pages : 152 pages
Book Rating : 4.3/5 (91 download)
Download or read book Integrated Computational Materials Engineering written by National Research Council and published by National Academies Press. This book was released on 2008-10-24 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrated computational materials engineering (ICME) is an emerging discipline that can accelerate materials development and unify design and manufacturing. Developing ICME is a grand challenge that could provide significant economic benefit. To help develop a strategy for development of this new technology area, DOE and DoD asked the NRC to explore its benefits and promises, including the benefits of a comprehensive ICME capability; to establish a strategy for development and maintenance of an ICME infrastructure, and to make recommendations about how best to meet these opportunities. This book provides a vision for ICME, a review of case studies and lessons learned, an analysis of technological barriers, and an evaluation of ways to overcome cultural and organizational challenges to develop the discipline.
