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Theoretical Materials Science
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Book Synopsis Theoretical Materials Science by : A. Gonis
Download or read book Theoretical Materials Science written by A. Gonis and published by Materials Research Society. This book was released on 2000-01-01 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The primary goal of a materials scientist is a predictive understanding of materials properties and that requires a clear picture of the role played by electrons in determining the materials' behavior. Only then can one hope to design and build new materials with desired physical, chemical and engineering characteristics. Research is carried out on the basis of quantum mechanics, through solution of the so-called single-particle Schrödinger equation that describes the behavior of electrons in a solid. This book describes one formal approach to solving the Schrödinger equation developed within the framework of multiple scattering theory (MST). It offers a comprehensive and welcome entrée to the field of electronic structure of solids and should serve as a treatise for advanced undergraduates, graduate students and researchers in the field. Topics Include: concepts and formalism; periodic solids and impurities; substitutional alloys; surfaces and interfaces; transport; phonons and photons and formal Green-function theory.
Book Synopsis Integrated Computational Materials Engineering by : National Research Council
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.
Book Synopsis Topics in Computational Materials Science by : Ching-yao Fong
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.
Book Synopsis Computational Materials Science by : June Gunn Lee
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 365 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.
Book Synopsis Computational Materials Science by : A.M. Ovrutsky
Download or read book Computational Materials Science written by A.M. Ovrutsky and published by Elsevier. This book was released on 2013-11-19 with total page 389 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding modern studies of surface processes during crystallization. There is sufficiently full information on experiments, theory, and simulations concerning the surface roughening transition, kinetic roughening, nucleation kinetics, stability of crystal shapes, thin film formation, imperfect structure of small crystals, size dependent growth velocity, distribution coefficient at growth from alloy melts, superstructure ordering in the intermetallic compound. Computational experiments described in the last chapter allow visualization of the course of many processes and better understanding of many key problems in Materials Science. There is a set of practical steps concerning computational procedures presented. Open access to executable files in the book make it possible for everyone to understand better phenomena and processes described in the book. - Valuable reference book, but also helpful as a supplement to courses - Computer programs available to supplement examples - Presents several new methods of computational materials science and clearly summarizes previous methods and results
Book Synopsis Quantum Theory of Materials by : Efthimios Kaxiras
Download or read book Quantum Theory of Materials written by Efthimios Kaxiras and published by Cambridge University Press. This book was released on 2019-06-06 with total page 679 pages. Available in PDF, EPUB and Kindle. Book excerpt: An accessible overview of the concepts and tools essential to the physics of materials, with applications, exercises, and color figures.
Book Synopsis Computational Materials Science by : Wofram Hergert
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.
Book Synopsis Topics in the Theory of Solid Materials by : J.M. Vail
Download or read book Topics in the Theory of Solid Materials written by J.M. Vail and published by CRC Press. This book was released on 2003-04-24 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: Topics in the Theory of Solid Materials provides a clear and rigorous introduction to a wide selection of topics in solid materials, overlapping traditional courses in both condensed matter physics and materials science and engineering. It introduces both the continuum properties of matter, traditionally the realm of materials science courses, and the quantum mechanical properties that are usually more emphasized in solid state physics courses, and integrates them in a manner that will be of use to students of either subject. The book spans a range of basic and more advanced topics, including stress and strain, wave propagation, thermal properties, surface waves, polarons, phonons, point defects, magnetism, and charge density waves. Topics in the Theory of Solid Materials is eminently suitable for graduates and final-year undergraduates in physics, materials science, and engineering, as well as more advanced researchers in academia and industry studying solid materials.
Book Synopsis Continuum Mechanics and Theory of Materials by : Peter Haupt
Download or read book Continuum Mechanics and Theory of Materials written by Peter Haupt and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 666 pages. Available in PDF, EPUB and Kindle. Book excerpt: The new edition includes additional analytical methods in the classical theory of viscoelasticity. This leads to a new theory of finite linear viscoelasticity of incompressible isotropic materials. Anisotropic viscoplasticity is completely reformulated and extended to a general constitutive theory that covers crystal plasticity as a special case.
Book Synopsis Materials Processing and Manufacturing Science by : Rajiv Asthana
Download or read book Materials Processing and Manufacturing Science written by Rajiv Asthana and published by Elsevier. This book was released on 2006-01-09 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Materials Science in Manufacturing focuses on materials science and materials processing primarily for engineering and technology students preparing for careers in manufacturing. The text also serves as a useful reference on materials science for the practitioner engaged in manufacturing as well as the beginning graduate student.Integrates theoretical understanding and current practices to provide a resource for students preparing for advanced study or career in industry. Also serves as a useful resource to the practitioner who works with diverse materials and processes, but is not a specialist in materials science. This book covers a wider range of materials and processes than is customary in the elementary materials science books.This book covers a wider range of materials and processes than is customary in the elementary materials science books.* Detailed explanations of theories, concepts, principles and practices of materials and processes of manufacturing through richly illustrated text* Includes new topics such as nanomaterials and nanomanufacturing, not covered in most similar works* Focuses on the interrelationship between Materials Science, Processing Science, and Manufacturing Technology
Book Synopsis Computational Technologies in Materials Science by : Shubham Tayal
Download or read book Computational Technologies in Materials Science written by Shubham Tayal and published by CRC Press. This book was released on 2021-10-06 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced materials are essential for economic security and human well-being, with applications in industries aimed at addressing challenges in clean energy, national security, and human welfare. Yet, it can take years to move a material to the market after its initial discovery. Computational techniques have accelerated the exploration and development of materials, offering the chance to move new materials to the market quickly. Computational Technologies in Materials Science addresses topics related to AI, machine learning, deep learning, and cloud computing in materials science. It explores characterization and fabrication of materials, machine-learning-based models, and computational intelligence for the synthesis and identification of materials. This book • Covers material testing and development using computational intelligence • Highlights the technologies to integrate computational intelligence and materials science • Details case studies and detailed applications • Investigates challenges in developing and using computational intelligence in materials science • Analyzes historic changes that are taking place in designing materials. This book encourages material researchers and academics to develop novel theories and sustainable computational techniques and explores the potential for computational intelligence to replace traditional materials research.
Book Synopsis Materials Science and Engineering for the 1990s by : National Research Council
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.
Book Synopsis Theoretical and Computational Chemistry by : Iwona Gulaczyk
Download or read book Theoretical and Computational Chemistry written by Iwona Gulaczyk and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-06-08 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the applications of computational chemistry ranging from the pharmaceutical industry and molecular structure determination to spectroscopy and astrophysics. The authors detail how calculations can be used to solve a wide range of practical challenges encountered in research and industry.
Book Synopsis The Physical Chemistry of Materials by : Rolando Roque-Malherbe
Download or read book The Physical Chemistry of Materials written by Rolando Roque-Malherbe and published by CRC Press. This book was released on 2016-04-19 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years, the area dealing with the physical chemistry of materials has become an emerging discipline in materials science that emphasizes the study of materials for chemical, sustainable energy, and pollution abatement applications. Written by an active researcher in this field, Physical Chemistry of Materials: Energy and Environmental Appl
Book Synopsis High-Resolution Electron Microscopy for Materials Science by : Daisuke Shindo
Download or read book High-Resolution Electron Microscopy for Materials Science written by Daisuke Shindo and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 196 pages. Available in PDF, EPUB and Kindle. Book excerpt: High-resolution electron microscopy (HREM) has become a most powerful method for investigating the internal structure of materials on an atomic scale of around 0.1 nm. The authors clearly explain both the theory and practice of HREM for materials science. In addition to a fundamental formulation of the imaging process of HREM, there is detailed explanation of image simulationindispensable for interpretation of high-resolution images. Essential information on appropriate imaging conditions for observing lattice images and structure images is presented, and methods for extracting structural information from these observations are clearly shown, including examples in advanced materials. Dislocations, interfaces, and surfaces are dealt with, and materials such as composite ceramics, high-Tc superconductors, and quasicrystals are also considered. Included are sections on the latest instruments and techniques, such as the imaging plate and quantitative HREM.
Book Synopsis Materials Science and Engineering, Volume II by : Gennady E. Zaikov
Download or read book Materials Science and Engineering, Volume II written by Gennady E. Zaikov and published by CRC Press. This book was released on 2016-04-19 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book has an important role in advancing non-classical materials on the macro and nanoscale. The book provides original, theoretical, and important experimental results. Some research uses non-routine methodologies often unfamiliar to some readers. Furthermore, papers on novel applications of more familiar experimental techniques and analyses o
Book Synopsis Computational Approaches to Materials Design by : Shubhabrata Datta
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.
