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Applied Computational Materials Modeling
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Book Synopsis Applied Computational Materials Modeling by : Guillermo Bozzolo
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.
Book Synopsis Advanced Computational Materials Modeling by : Miguel Vaz Junior
Download or read book Advanced Computational Materials Modeling written by Miguel Vaz Junior and published by John Wiley & Sons. This book was released on 2011-09-22 with total page 453 pages. Available in PDF, EPUB and Kindle. Book excerpt: With its discussion of strategies for modeling complex materials using new numerical techniques, mainly those based on the finite element method, this monograph covers a range of topics including computational plasticity, multi-scale formulations, optimization and parameter identification, damage mechanics and nonlinear finite elements.
Book Synopsis The Catalogue of Computational Material Models by : Paul Steinmann
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.
Book Synopsis Applied Computational Materials Modeling by : Guillermo Bozzolo
Download or read book Applied Computational Materials Modeling written by Guillermo Bozzolo and published by Springer. This book was released on 2008-11-01 with total page 0 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.
Book Synopsis Handbook of Materials Modeling by : Sidney Yip
Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
Book Synopsis Handbook of Materials Modeling by : Wanda Andreoni
Download or read book Handbook of Materials Modeling written by Wanda Andreoni and published by Springer. This book was released on 2020-03-31 with total page 2897 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Handbook of Materials Modeling, 2nd edition is a six-volume major reference serving a steadily growing community at the intersection of two mainstreams of global research: computational science and materials science and technology. This extensively expanded new edition reflects the significant developments in all aspects of computational materials research over the past decade, featuring progress in simulations at multiple scales and increasingly more realistic materials models. Thematically separated into two mutually dependent sets – “Methods: Theory and Modeling (MTM)” and “Applications: Current and Emerging Materials (ACE)” – the handbook runs the entire gamut from theory and methods to simulations and applications. Readers benefit from its in-depth coverage of a broad methodological spectrum extending from advanced atomistic simulations of rare events to data-driven artificial intelligence strategies for materials informatics in the set MTM, as well as forefront emphasis on materials of far-ranging societal importance such as photovoltaics and energy-relevant oxides, and cutting-edge applications to materials for spintronic devices, graphene, cement, and glasses in the set ACE. The thorough, interconnected coverage of methods and applications, together with a line-up of internationally acclaimed editors and authors, will ensure the Handbook of Material Modeling’s standing as an enduring source of learning and inspiration for a global community of computational materials scientists.
Book Synopsis Computational Materials Engineering by : Koenraad George Frans Janssens
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 360 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
Book Synopsis Computational Materials Science by : Kaoru Ohno
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.
Book Synopsis Computational Materials Science by : Dierk Raabe
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.
Book Synopsis Multiscale Paradigms in Integrated Computational Materials Science and Engineering by : Pierre Deymier
Download or read book Multiscale Paradigms in Integrated Computational Materials Science and Engineering written by Pierre Deymier and published by Springer. This book was released on 2015-11-25 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Modeling Materials by : Ellad B. Tadmor
Download or read book Modeling Materials written by Ellad B. Tadmor and published by Cambridge University Press. This book was released on 2011-11-24 with total page 789 pages. Available in PDF, EPUB and Kindle. Book excerpt: Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding. Materials researchers must therefore understand fundamental concepts and techniques from different fields, and these are presented in a comprehensive and integrated fashion for the first time in this book. Incorporating continuum mechanics, quantum mechanics, statistical mechanics, atomistic simulations and multiscale techniques, the book explains many of the key theoretical ideas behind multiscale modeling. Classical topics are blended with new techniques to demonstrate the connections between different fields and highlight current research trends. Example applications drawn from modern research on the thermo-mechanical properties of crystalline solids are used as a unifying focus throughout the text. Together with its companion book, Continuum Mechanics and Thermodynamics (Cambridge University Press, 2011), this work presents the complete fundamentals of materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.
Book Synopsis Uncertainty Quantification in Multiscale Materials Modeling by : Yan Wang
Download or read book Uncertainty Quantification in Multiscale Materials Modeling written by Yan Wang and published by Woodhead Publishing Limited. This book was released on 2020-03-12 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This book presents a thorough synthesis of the state-of-the-art in UQ methods for materials modeling, including Bayesian inference, surrogate modeling, random fields, interval analysis, and sensitivity analysis, providing insight into the unique characteristics of models framed at each scale, as well as common issues in modeling across scales.
Book Synopsis Computational Materials Engineering by : Maciej Pietrzyk
Download or read book Computational Materials Engineering written by Maciej Pietrzyk and published by Butterworth-Heinemann. This book was released on 2015-07-14 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Materials Engineering: Achieving High Accuracy and Efficiency in Metals Processing Simulations describes the most common computer modeling and simulation techniques used in metals processing, from so-called "fast" models to more advanced multiscale models, also evaluating possible methods for improving computational accuracy and efficiency. Beginning with a discussion of conventional fast models like internal variable models for flow stress and microstructure evolution, the book moves on to advanced multiscale models, such as the CAFÉ method, which give insights into the phenomena occurring in materials in lower dimensional scales. The book then delves into the various methods that have been developed to deal with problems, including long computing times, lack of proof of the uniqueness of the solution, difficulties with convergence of numerical procedures, local minima in the objective function, and ill-posed problems. It then concludes with suggestions on how to improve accuracy and efficiency in computational materials modeling, and a best practices guide for selecting the best model for a particular application. Presents the numerical approaches for high-accuracy calculations Provides researchers with essential information on the methods capable of exact representation of microstructure morphology Helpful to those working on model classification, computing costs, heterogeneous hardware, modeling efficiency, numerical algorithms, metamodeling, sensitivity analysis, inverse method, clusters, heterogeneous architectures, grid environments, finite element, flow stress, internal variable method, microstructure evolution, and more Discusses several techniques to overcome modeling and simulation limitations, including distributed computing methods, (hyper) reduced-order-modeling techniques, regularization, statistical representation of material microstructure, and the Gaussian process Covers both software and hardware capabilities in the area of improved computer efficiency and reduction of computing time
Book Synopsis Computational Modeling of Issues in Materials Science by : H. Dreyssé
Download or read book Computational Modeling of Issues in Materials Science written by H. Dreyssé and published by Elsevier Science Limited. This book was released on 1998-07 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Symposium D, entitled Computational Modeling of Issues in Materials Science was presented at the combined 1997 International Conference on Applied Materials/European Materials Research Society Spring meeting (ICAM'97/E-MRS'97) held in Strasbourg (France) from 16-20 June 1997. Those who attended came from all five continents with participants coming from as far away as South Africa, Australia and Eastern Europe. There were 14 invited talks, 54 contributed papers, and 62 posters presented at the symposium. Computational materials science has truly emerged as a field in itself. The range of phenomena studied and the variety of techniques used indicate that the subject has sufficiently matured that technologically relevant information can now be routinely extracted from computational modeling. These models increasingly use atomistic information from which macroscopic parameters may be determined. Several papers showed that parallel computers will play a major role in the further development of the field. The Car-Parrinello method emerged as a workhorse for the most advanced simulations which the advent of faster hardware and diffusion of computer codes has brought within easy reach of many research groups. How to consistently go from the micro- to the macro-scale remains one of the great unsolved puzzles in computational materials science and was the subject of much discussion at the symposium. The interdisciplinary side of computational studies of matter was demonstrated in several talks, where authors borrowed methods from nuclear physics, fluid dynamics, and other subjects. This was a very productive symposium with new collaborations started, many novel ideas generated and a large amount of information disseminated. The meeting gave an excellent idea of the status of computational materials service anno 1997.
Book Synopsis Introduction to Computational Materials Science by : Richard LeSar
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.
Book Synopsis Integrated Computational Materials Engineering (ICME) for Metals by : Mark F. Horstemeyer
Download or read book Integrated Computational Materials Engineering (ICME) for Metals written by Mark F. Horstemeyer and published by John Wiley & Sons. This book was released on 2018-03-20 with total page 712 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focuses entirely on demystifying the field and subject of ICME and provides step-by-step guidance on its industrial application via case studies This highly-anticipated follow-up to Mark F. Horstemeyer’s pedagogical book on Integrated Computational Materials Engineering (ICME) concepts includes engineering practice case studies related to the analysis, design, and use of structural metal alloys. A welcome supplement to the first book—which includes the theory and methods required for teaching the subject in the classroom—Integrated Computational Materials Engineering (ICME) For Metals: Concepts and Case Studies focuses on engineering applications that have occurred in industries demonstrating the ICME methodologies, and aims to catalyze industrial diffusion of ICME technologies throughout the world. The recent confluence of smaller desktop computers with enhanced computing power coupled with the emergence of physically-based material models has created the clear trend for modeling and simulation in product design, which helped create a need to integrate more knowledge into materials processing and product performance. Integrated Computational Materials Engineering (ICME) For Metals: Case Studies educates those seeking that knowledge with chapters covering: Body Centered Cubic Materials; Designing An Interatomic Potential For Fe-C Alloys; Phase-Field Crystal Modeling; Simulating Dislocation Plasticity in BCC Metals by Integrating Fundamental Concepts with Macroscale Models; Steel Powder Metal Modeling; Hexagonal Close Packed Materials; Multiscale Modeling of Pure Nickel; Predicting Constitutive Equations for Materials Design; and more. Presents case studies that connect modeling and simulation for different materials' processing methods for metal alloys Demonstrates several practical engineering problems to encourage industry to employ ICME ideas Introduces a new simulation-based design paradigm Provides web access to microstructure-sensitive models and experimental database Integrated Computational Materials Engineering (ICME) For Metals: Case Studies is a must-have book for researchers and industry professionals aiming to comprehend and employ ICME in the design and development of new materials.
Book Synopsis Device and Materials Modeling in PEM Fuel Cells by : Stephen J. Paddison
Download or read book Device and Materials Modeling in PEM Fuel Cells written by Stephen J. Paddison and published by Springer Science & Business Media. This book was released on 2008-10-15 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational studies on fuel cell-related issues are increasingly common. These studies range from engineering level models of fuel cell systems and stacks to molecular level, electronic structure calculations on the behavior of membranes and catalysts, and everything in between. This volume explores this range. It is appropriate to ask what, if anything, does this work tell us that we cannot deduce intuitively? Does the emperor have any clothes? In answering this question resolutely in the affirmative, I will also take the liberty to comment a bit on what makes the effort worthwhile to both the perpetrator(s) of the computational study (hereafter I will use the blanket terms modeler and model for both engineering and chemical physics contexts) and to the rest of the world. The requirements of utility are different in the two spheres. As with any activity, there is a range of quality of work within the modeling community. So what constitutes a useful model? What are the best practices, serving both the needs of the promulgator and consumer? Some of the key com- nents are covered below. First, let me provide a word on my ‘credentials’ for such commentary. I have participated in, and sometimes initiated, a c- tinuous series of such efforts devoted to studies of PEMFC components and cells over the past 17 years. All that participation was from the experim- tal, qualitative side of the effort.
