Computational Materials Engineering Book

Computational Materials Engineering


  • Author : Koenraad George Frans Janssens
  • Publisher : Academic Press
  • Release Date : 2010-07-26
  • Genre: Technology & Engineering
  • Pages : 360
  • ISBN 10 : 0080555497

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Computational Materials Engineering Book Description :

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

Computational Materials Engineering Book

Computational Materials Engineering


  • Author : Maciej Pietrzyk
  • Publisher : Butterworth-Heinemann
  • Release Date : 2015-07-14
  • Genre: Technology & Engineering
  • Pages : 376
  • ISBN 10 : 9780124167247

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Computational Materials Engineering Book Description :

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

Integrated Computational Materials Engineering  ICME  for Metals Book

Integrated Computational Materials Engineering ICME for Metals


  • Author : Mark F. Horstemeyer
  • Publisher : John Wiley & Sons
  • Release Date : 2018-03-13
  • Genre: Science
  • Pages : 688
  • ISBN 10 : 9781119018360

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Integrated Computational Materials Engineering ICME for Metals Book Description :

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: Concepts and 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

Integrated Computational Materials Engineering Book

Integrated Computational Materials Engineering


  • Author : National Research Council
  • Publisher : National Academies Press
  • Release Date : 2008-09-24
  • Genre: Technology & Engineering
  • Pages : 152
  • ISBN 10 : 0309178215

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Integrated Computational Materials Engineering Book Description :

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.

Integrated Computational Materials Engineering  ICME  Book

Integrated Computational Materials Engineering ICME


  • Author : Somnath Ghosh
  • Publisher : Springer Nature
  • Release Date : 2020-03-20
  • Genre: Technology & Engineering
  • Pages : 405
  • ISBN 10 : 9783030405625

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Integrated Computational Materials Engineering ICME Book Description :

​This book introduces research advances in Integrated Computational Materials Engineering (ICME) that have taken place under the aegis of the AFOSR/AFRL sponsored Center of Excellence on Integrated Materials Modeling (CEIMM) at Johns Hopkins University. Its author team consists of leading researchers in ICME from prominent academic institutions and the Air Force Research Laboratory. The book examines state-of-the-art advances in physics-based, multi-scale, computational-experimental methods and models for structural materials like polymer-matrix composites and metallic alloys. The book emphasizes Ni-based superalloys and epoxy matrix carbon-fiber composites and encompasses atomistic scales, meso-scales of coarse-grained models and discrete dislocations, and micro-scales of poly-phase and polycrystalline microstructures. Other critical phenomena investigated include the relationship between microstructural morphology, crystallography, and mechanisms to the material response at different scales; methods of identifying representative volume elements using microstructure and material characterization, and robust deterministic and probabilistic modeling of deformation and damage. Encompassing a slate of topics that enable readers to comprehend and approach ICME-related issues involved in predicting material performance and failure, the book is ideal for mechanical, civil, and aerospace engineers, and materials scientists, in in academic, government, and industrial laboratories.

Integrative Computational Materials Engineering Book

Integrative Computational Materials Engineering


  • Author : Georg J. Schmitz
  • Publisher : John Wiley & Sons
  • Release Date : 2012-05-21
  • Genre: Science
  • Pages : 344
  • ISBN 10 : 9783527330812

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Integrative Computational Materials Engineering Book Description :

Presenting the results of an ambitious project, this book summarizes the efforts towards an open, web-based modular and extendable simulation platform for materials engineering that allows simulations bridging several length scales. In so doing, it covers processes along the entire value chain and even describes such different classes of materials as metallic alloys and polymers. It comprehensively describes all structural ideas, the underlying concepts, standard specifications, the verification results obtained for different test cases and additionally how to utilize the platform as a user and how to join it as a provider. A resource for researchers, users and simulation software providers alike, the monograph provides an overview of the current status, serves as a generic manual for prospective users, and offers insights into the inner modular structure of the simulation platform.

Integrated Computational Materials Engineering  ICME  for Metals Book

Integrated Computational Materials Engineering ICME for Metals


  • Author : Mark F. Horstemeyer
  • Publisher : John Wiley & Sons
  • Release Date : 2012-06-07
  • Genre: Technology & Engineering
  • Pages : 456
  • ISBN 10 : 9781118342657

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Integrated Computational Materials Engineering ICME for Metals Book Description :

State-of-the-technology tools for designing, optimizing, and manufacturing new materials Integrated computational materials engineering (ICME) uses computational materials science tools within a holistic system in order to accelerate materials development, improve design optimization, and unify design and manufacturing. Increasingly, ICME is the preferred paradigm for design, development, and manufacturing of structural products. Written by one of the world's leading ICME experts, this text delivers a comprehensive, practical introduction to the field, guiding readers through multiscale materials processing modeling and simulation with easy-to-follow explanations and examples. Following an introductory chapter exploring the core concepts and the various disciplines that have contributed to the development of ICME, the text covers the following important topics with their associated length scale bridging methodologies: Macroscale continuum internal state variable plasticity and damage theory and multistage fatigue Mesoscale analysis: continuum theory methods with discrete features and methods Discrete dislocation dynamics simulations Atomistic modeling methods Electronics structures calculations Next, the author provides three chapters dedicated to detailed case studies, including "From Atoms to Autos: A Redesign of a Cadillac Control Arm," that show how the principles and methods of ICME work in practice. The final chapter examines the future of ICME, forecasting the development of new materials and engineering structures with the help of a cyberinfrastructure that has been recently established. Integrated Computational Materials Engineering (ICME) for Metals is recommended for both students and professionals in engineering and materials science, providing them with new state-of-the-technology tools for selecting, designing, optimizing, and manufacturing new materials. Instructors who adopt this text for coursework can take advantage of PowerPoint lecture notes, a q

Introduction to Computational Materials Science Book

Introduction to Computational Materials Science


  • Author : Richard LeSar
  • Publisher : Cambridge University Press
  • Release Date : 2013-03-28
  • Genre: Science
  • Pages : 414
  • ISBN 10 : 9780521845878

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Introduction to Computational Materials Science Book Description :

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.

Computational Materials Science Book

Computational Materials Science


  • Author : Dierk Raabe
  • Publisher : Wiley-VCH
  • Release Date : 1998-10-27
  • Genre: Science
  • Pages : 379
  • ISBN 10 : UOM:39015047514164

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Computational Materials Science Book Description :

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.

Computational Materials Science Book

Computational Materials Science


  • Author : June Gunn Lee
  • Publisher : CRC Press
  • Release Date : 2011-09-27
  • Genre: Science
  • Pages : 302
  • ISBN 10 : 9781439897362

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Computational Materials Science Book Description :

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

Proceedings of the 4th World Congress on Integrated Computational Materials Engineering  ICME 2017  Book

Proceedings of the 4th World Congress on Integrated Computational Materials Engineering ICME 2017


  • Author : Paul Mason
  • Publisher : Springer
  • Release Date : 2017-04-27
  • Genre: Technology & Engineering
  • Pages : 381
  • ISBN 10 : 9783319578644

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Proceedings of the 4th World Congress on Integrated Computational Materials Engineering ICME 2017 Book Description :

This book represents a collection of papers presented at the 4th World Congress on Integrated Computational Materials Engineering (ICME 2017), a specialty conference organized by The Minerals, Metals & Materials Society (TMS). The contributions offer topics relevant to the global advancement of ICME as an engineering discipline. Topics covered include the following:ICME Success Stories and ApplicationsVerification, Validation, Uncertainty Quantification Issues and Gap AnalysisIntegration Framework and UsageAdditive ManufacturingPhase Field ModelingMicrostructure EvolutionICME Design Tools and ApplicationMechanical Performance Using Multi-Scale Modeling

Computational Materials Science Book

Computational Materials Science


  • Author : Wofram Hergert
  • Publisher : Springer Science & Business Media
  • Release Date : 2004-04-29
  • Genre: Science
  • Pages : 320
  • ISBN 10 : 3540210512

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Computational Materials Science Book Description :

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.

Topics in Computational Materials Science Book

Topics in Computational Materials Science


  • Author : Ching-yao Fong
  • Publisher : World Scientific
  • Release Date : 1998
  • Genre: Technology & Engineering
  • Pages : 382
  • ISBN 10 : 9810231490

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Topics in Computational Materials Science Book Description :

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.

Damage and Failure of Composite Materials Book

Damage and Failure of Composite Materials


  • Author : Ramesh Talreja
  • Publisher : Cambridge University Press
  • Release Date : 2012-06-07
  • Genre: Science
  • Pages : 304
  • ISBN 10 : 9780521819428

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Damage and Failure of Composite Materials Book Description :

Understanding damage and failure of composite materials is critical for reliable and cost-effective engineering design. Bringing together materials mechanics and modeling, this book provides a complete guide to damage, fatigue and failure of composite materials. Early chapters focus on the underlying principles governing composite damage, reviewing basic equations and mechanics theory, before describing mechanisms of damage such as cracking, breakage and buckling. In subsequent chapters, the physical mechanisms underlying the formation and progression of damage under mechanical loads are described with ample experimental data, and micro- and macro-level damage models are combined. Finally, fatigue of composite materials is discussed using fatigue-life diagrams. While there is a special emphasis on polymer matrix composites, metal and ceramic matrix composites are also described. Outlining methods for more reliable design of composite structures, this is a valuable resource for engineers and materials scientists in industry and academia.

Computational Materials Science Book

Computational Materials Science


  • Author : Kaoru Ohno
  • Publisher : Springer
  • Release Date : 2018-04-14
  • Genre: Technology & Engineering
  • Pages : 427
  • ISBN 10 : 9783662565421

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Computational Materials Science Book Description :

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.

Computational Materials Science of Polymers Book

Computational Materials Science of Polymers


  • Author : A. A. Askadskii
  • Publisher : Cambridge Int Science Publishing
  • Release Date : 2003-01-01
  • Genre: Science
  • Pages : 696
  • ISBN 10 : 9781898326625

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Computational Materials Science of Polymers Book Description :

Annotation Methods of quantitative analysis of the effect of the chemical structure of linear and network polymers on their properties, computer synthesis of polymers with specific physical properties.

Computational Quantum Mechanics for Materials Engineers Book

Computational Quantum Mechanics for Materials Engineers


  • Author : Levente Vitos
  • Publisher : Springer Science & Business Media
  • Release Date : 2007-08-10
  • Genre: Technology & Engineering
  • Pages : 237
  • ISBN 10 : 9781846289514

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Computational Quantum Mechanics for Materials Engineers Book Description :

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.

Computational Thermo Fluid Dynamics Book

Computational Thermo Fluid Dynamics


  • Author : Petr A. Nikrityuk
  • Publisher : John Wiley & Sons
  • Release Date : 2011-09-19
  • Genre: Technology & Engineering
  • Pages : 370
  • ISBN 10 : 9783527636082

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Computational Thermo Fluid Dynamics Book Description :

Combining previously unconnected computational methods, this monograph discusses the latest basic schemes and algorithms for the solution of fluid, heat and mass transfer problems coupled with electrodynamics. It presents the necessary mathematical background of computational thermo-fluid dynamics, the numerical implementation and the application to real-world problems. Particular emphasis is placed throughout on the use of electromagnetic fields to control the heat, mass and fluid flows in melts and on phase change phenomena during the solidification of pure materials and binary alloys. However, the book provides much more than formalisms and algorithms; it also stresses the importance of good, feasible and workable models to understand complex systems, and develops these in detail. Bringing computational fluid dynamics, thermodynamics and electrodynamics together, this is a useful source for materials scientists, PhD students, solid state physicists, process engineers and mechanical engineers, as well as lecturers in mechanical engineering.