Download or read book Computational Matter written by Susan Stepney and published by Springer. This book was released on 2018-07-20 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is concerned with computing in materio: that is, unconventional computing performed by directly harnessing the physical properties of materials. It offers an overview of the field, covering four main areas of interest: theory, practice, applications and implications. Each chapter synthesizes current understanding by deliberately bringing together researchers across a collection of related research projects. The book is useful for graduate students, researchers in the field, and the general scientific reader who is interested in inherently interdisciplinary research at the intersections of computer science, biology, chemistry, physics, engineering and mathematics.
Download or read book Matters Computational written by Jörg Arndt and published by Springer Science & Business Media. This book was released on 2010-10-01 with total page 980 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides algorithms and ideas for computationalists. Subjects treated include low-level algorithms, bit wizardry, combinatorial generation, fast transforms like the Fourier transform, and fast arithmetic for both real numbers and finite fields. Various optimization techniques are described and the actual performance of many given implementations is examined. The focus is on material that does not usually appear in textbooks on algorithms. The implementations are done in C++ and the GP language, written for POSIX-compliant platforms such as the Linux and BSD operating systems.
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.
Download or read book Experimental and Computational Techniques in Soft Condensed Matter Physics written by Jeffrey Olafsen and published by Cambridge University Press. This book was released on 2010-09-02 with total page 339 pages. Available in PDF, EPUB and Kindle. Book excerpt: Soft condensed matter physics relies on a fundamental understanding at the interface between physics, chemistry, biology, and engineering for a host of materials and circumstances that are related to, but outside, the traditional definition of condensed matter physics. Featuring contributions from leading researchers in the field, this book uniquely discusses both the contemporary experimental and computational manifestations of soft condensed matter systems. From particle tracking and image analysis, novel materials and computational methods, to confocal microscopy and bacterial assays, this book will equip the reader for collaborative and interdisciplinary research efforts relating to a range of modern problems in nonlinear and non-equilibrium systems. It will enable both graduate students and experienced researchers to supplement a more traditional understanding of thermodynamics and statistical systems with knowledge of the techniques used in contemporary investigations. Color versions of a selection of the figures are available at www.cambridge.org/9780521115902.
Download or read book Data Matter Design written by Frank Melendez and published by Routledge. This book was released on 2020-09-29 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Data, Matter, Design presents a comprehensive overview of current design processes that rely on the input of data and use of computational design strategies, and their relationship to an array of outputs. Technological changes, through the use of computational tools and processes, have radically altered and influenced our relationship to cities and the methods by which we design architecture, urban, and landscape systems. This book presents a wide range of curated projects and contributed texts by leading architects, urbanists, and designers that transform data as an abstraction, into spatial, experiential, and performative configurations within urban ecologies, emerging materials, robotic agents, adaptive fields, and virtual constructs. Richly illustrated with over 200 images, Data, Matter, Design is an essential read for students, academics, and professionals to evaluate and discuss how data in design methodologies and theoretical discourses have evolved in the last two decades and why processes of data collection, measurement, quantification, simulation, algorithmic control, and their integration into methods of reading and producing spatial conditions, are becoming vital in academic and industry practices.
Download or read book Computational Materials Science written by Kaoru Ohno and published by Springer Science & Business Media. This book was released on 1999-08-18 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Computational Quantum Mechanics for Materials Engineers written by Levente Vitos and published by Springer Science & Business Media. This book was released on 2007-08-10 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the only book to cover the most recent developments in applied quantum theory and their use in modeling materials properties. It describes new approaches to modeling disordered alloys and focuses on those approaches that combine the most efficient quantum-level theories of random alloys with the most sophisticated numerical techniques. In doing so, it establishes a theoretical insight into the electronic structure of complex materials such as stainless steels, Hume-Rothery alloys and silicates.
Download or read book Applied Computational Materials Modeling written by Guillermo Bozzolo and published by Springer Science & Business Media. This book was released on 2007-12-19 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book The Catalogue of Computational Material Models written by Paul Steinmann and published by Springer Nature. This book was released on 2021-03-20 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives a comprehensive account of the formulation and computational treatment of basic geometrically linear models in 1D. To set the stage, it assembles some preliminaries regarding necessary modelling, computational and mathematical tools. Thereafter, the remaining parts are concerned with the actual catalogue of computational material models. To this end, after starting out with elasticity as a reference, further 15 different basic variants of material models (5 x each of {visco-elasticity, plasticity, visco-plasticity}, respectively) are systematically explored. The presentation for each of these basic material models is a stand-alone account and follows in each case the same structure. On the one hand, this allows, in the true sense of a catalogue, to consult each of the basic material models separately without the need to refer to other basic material models. On the other hand, even though this somewhat repetitious concept may seem tedious, it allows to compare the formulation and resulting algorithmic setting of the various basic material models and thereby to uncover, in detail, similarities and differences. In particular, the response of each basic material model is analysed for the identical histories (Zig-Zag, Sine, Ramp) of prescribed strain and stress so as to clearly showcase and to contrast to each other the characteristics of the various modelling options.
Download or read book Computational Materials Chemistry and Biochemistry From Bold Initiatives to the Last Mile written by Sadasivan Shankar and published by Springer Nature. This book was released on 2021-01-25 with total page 1344 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a broad and nuanced overview of the achievements and legacy of Professor William (“Bill”) Goddard in the field of computational materials and molecular science. Leading researchers from around the globe discuss Goddard’s work and its lasting impacts, which can be seen in today’s cutting-edge chemistry, materials science, and biology techniques. Each section of the book closes with an outline of the prospects for future developments. In the course of a career spanning more than 50 years, Goddard’s seminal work has led to dramatic advances in a diverse range of science and engineering fields. Presenting scientific essays and reflections by students, postdoctoral associates, collaborators and colleagues, the book describes the contributions of one of the world’s greatest materials and molecular scientists in the context of theory, experimentation, and applications, and examines his legacy in each area, from conceptualization (the first mile) to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard’s passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a model for us all. As he enters his second half-century of scientific research and education, this book inspires future generations of students and researchers to employ and extend these powerful techniques and insights to tackle today’s critical problems in biology, chemistry, and materials. Examples highlighted in the book include new materials for photocatalysts to convert water and CO2 into fuels, novel catalysts for the highly selective and active catalysis of alkanes to valuable organics, simulating the chemistry in film growth to develop two-dimensional functional films, and predicting ligand–protein binding and activation to enable the design of targeted drugs with minimal side effects.
Download or read book Thinking in Complexity written by Klaus Mainzer and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the first edition sold out in less than a year, we now present the revised second edition of Mainzer's popular book. The theory of nonlinear complex systems has become a successful problem-solving approach in the natural sciences from laser physics, quantum chaos, and meteorology to computer simulations of cell growth in biology. It is now recognized that many of our social, ecological, and political problems are also of a global, complex, and nonlinear nature. And one of the most exciting contemporary topics is the idea that even the human mind is governed largely by the nonlinear dynamics of complex systems. In this wide-ranging but concise treatment, Prof. Mainzer discusses, in a nontechnical language, the common framework behind these endeavors. Emphasis is given to the evolution of new structures in natural and cultural systems and we see clearly how the new integrative approach can give insights not available from traditional reductionistic methods.
Download or read book Symmetry and Condensed Matter Physics written by M. El-Batanouny and published by Cambridge University Press. This book was released on 2008-03-13 with total page 3 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unlike existing texts, this book blends for the first time three topics in physics - symmetry, condensed matter physics and computational methods - into one pedagogical textbook. It includes new concepts in mathematical crystallography; experimental methods capitalizing on symmetry aspects; non-conventional applications such as Fourier crystallography, color groups, quasicrystals and incommensurate systems; as well as concepts and techniques behind the Landau theory of phase transitions. Adopting a computational approach to the application of group theoretical techniques to solving symmetry related problems, it dramatically alleviates the need for intensive calculations usually found in the presentation of symmetry. Writing computer programs helps the student achieve a firm understanding of the underlying concepts, and sample programs, based on Mathematica, are presented throughout the book. Containing over 150 exercises, this textbook is ideal for graduate students in condensed matter physics, materials science, and chemistry. Solutions and computer programs are available online at www.cambridge.org/9780521828451.
Download or read book Computational Homogenization of Heterogeneous Materials with Finite Elements written by Julien Yvonnet and published by Springer. This book was released on 2019-06-11 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph provides a concise overview of the main theoretical and numerical tools to solve homogenization problems in solids with finite elements. Starting from simple cases (linear thermal case) the problems are progressively complexified to finish with nonlinear problems. The book is not an overview of current research in that field, but a course book, and summarizes established knowledge in this area such that students or researchers who would like to start working on this subject will acquire the basics without any preliminary knowledge about homogenization. More specifically, the book is written with the objective of practical implementation of the methodologies in simple programs such as Matlab. The presentation is kept at a level where no deep mathematics are required.
Download or read book Electron Scattering in Solid Matter written by Jan Zabloudil and published by Springer Science & Business Media. This book was released on 2005-12-12 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: Addressing graduate students and researchers, this book gives a very detailed theoretical and computational description of multiple scattering in solid matter. Particular emphasis is placed on solids with reduced dimensions, on full potential approaches and on relativistic treatments. For the first time approaches such as the screened Korringa-Kohn-Rostoker method are reviewed, considering all formal steps such as single-site scattering, structure constants and screening transformations, and also the numerical point of view. Furthermore, a very general approach is presented for solving the Poisson equation, needed within density functional theory in order to achieve self-consistency. Special chapters are devoted to the Coherent Potential Approximation and to the Embedded Cluster Method, used, for example, for describing nanostructured matter in real space. In a final chapter, physical properties related to the (single-particle) Green's function, such as magnetic anisotropies, interlayer exchange coupling, electric and magneto-optical transport and spin-waves, serve to illustrate the usefulness of the methods described.
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 429 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 Computational Thermodynamics of Materials written by Zi-Kui Liu and published by Cambridge University Press. This book was released on 2016-06-30 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.
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
