Skip to main content

Computational Materials Engineering

Download Computational Materials Engineering Full eBooks in PDF, EPUB, and kindle. Computational Materials Engineering is one my favorite book and give us some inspiration, very enjoy to read. you could read this book anywhere anytime directly from your device.

Computational Materials Engineering

Computational Materials Engineering Book
Author : Koenraad George Frans Janssens,Dierk Raabe,Ernest Kozeschnik,Mark A Miodownik,Britta Nestler
Publisher : Academic Press
Release : 2010-07-26
ISBN : 9780080555492
Language : En, Es, Fr & De

DOWNLOAD

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

Integrated Computational Materials Engineering ICME for Metals

Integrated Computational Materials Engineering  ICME  for Metals Book
Author : Mark F. Horstemeyer
Publisher : John Wiley & Sons
Release : 2018-03-01
ISBN : 1119018382
Language : En, Es, Fr & De

DOWNLOAD

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: 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.

Integrated Computational Materials Engineering

Integrated Computational Materials Engineering Book
Author : National Research Council,Division on Engineering and Physical Sciences,National Materials Advisory Board,Committee on Integrated Computational Materials Engineering
Publisher : National Academies Press
Release : 2008-10-24
ISBN : 0309119995
Language : En, Es, Fr & De

DOWNLOAD

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.

Computational Materials Science

Computational Materials Science Book
Author : June Gunn Lee
Publisher : CRC Press
Release : 2016-11-25
ISBN : 0415015782
Language : En, Es, Fr & De

DOWNLOAD

Book Description :

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.

Introduction to Computational Materials Science

Introduction to Computational Materials Science Book
Author : Richard LeSar
Publisher : Cambridge University Press
Release : 2013-03-28
ISBN : 1107328144
Language : En, Es, Fr & De

DOWNLOAD

Book Description :

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.

Integrated Computational Materials Engineering ICME for Metals

Integrated Computational Materials Engineering  ICME  for Metals Book
Author : Mark F. Horstemeyer
Publisher : John Wiley & Sons
Release : 2012-06-07
ISBN : 1118342658
Language : En, Es, Fr & De

DOWNLOAD

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 questions and solutions manual, and tutorials to guide students through the models and codes discussed in the text.

Computational Materials Engineering

Computational Materials Engineering Book
Author : Maciej Pietrzyk,Lukasz Madej,Lukasz Rauch,Danuta Szeliga
Publisher : Butterworth-Heinemann
Release : 2015-07-14
ISBN : 0124167241
Language : En, Es, Fr & De

DOWNLOAD

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 computer efficiency and reduction of computing time

Integrated Computational Materials Engineering ICME

Integrated Computational Materials Engineering  ICME  Book
Author : Somnath Ghosh,Christopher Woodward,Craig Przybyla
Publisher : Springer Nature
Release : 2020-03-20
ISBN : 3030405621
Language : En, Es, Fr & De

DOWNLOAD

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.

Computational Materials Science

Computational Materials Science Book
Author : Dierk Raabe
Publisher : Wiley-VCH
Release : 1998-10-27
ISBN : 0987650XXX
Language : En, Es, Fr & De

DOWNLOAD

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

Computational Materials Science Book
Author : Kaoru Ohno,Keivan Esfarjani,Yoshiyuki Kawazoe
Publisher : Springer
Release : 2018-04-14
ISBN : 3662565420
Language : En, Es, Fr & De

DOWNLOAD

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.

Applied Computational Materials Modeling

Applied Computational Materials Modeling Book
Author : Guillermo Bozzolo,Ronald D. Noebe,Phillip B. Abel
Publisher : Springer Science & Business Media
Release : 2007-12-19
ISBN : 0387345655
Language : En, Es, Fr & De

DOWNLOAD

Book Description :

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.

Computational and Experimental Approaches in Materials Science and Engineering

Computational and Experimental Approaches in Materials Science and Engineering Book
Author : Nenad Mitrovic,Milos Milosevic,Goran Mladenovic
Publisher : Springer Nature
Release : 2019-09-24
ISBN : 3030308537
Language : En, Es, Fr & De

DOWNLOAD

Book Description :

This proceedings book offers a collection of high-quality, peer-reviewed research papers presented at the International Conference of Experimental and Numerical Investigations and New Technologies (CNNTech2019) held in Zlatibor, Serbia, from 2 to 5 July 2019. Discussing various industrial, engineering and scientific applications of the engineering techniques, it provides researchers from academia and industry with a platform to present their original work and exchange ideas, experiences, information, techniques, applications and innovations in the fields of mechanical engineering, materials science, chemical and process engineering, experimental techniques, numerical methods and new technologies.

Topics in Computational Materials Science

Topics in Computational Materials Science Book
Author : Ching-yao Fong
Publisher : World Scientific
Release : 1998
ISBN : 9789810231491
Language : En, Es, Fr & De

DOWNLOAD

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.

Computational Technologies in Materials Science

Computational Technologies in Materials Science Book
Author : Shubham Tayal,Parveen Singla,Ashutosh Nandi,J. Paulo Davim
Publisher : CRC Press
Release : 2021-10-06
ISBN : 1000459748
Language : En, Es, Fr & De

DOWNLOAD

Book Description :

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.

Computational Quantum Mechanics for Materials Engineers

Computational Quantum Mechanics for Materials Engineers Book
Author : Levente Vitos
Publisher : Springer Science & Business Media
Release : 2007-08-10
ISBN : 1846289513
Language : En, Es, Fr & De

DOWNLOAD

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.

Damage and Failure of Composite Materials

Damage and Failure of Composite Materials Book
Author : Ramesh Talreja,Chandra Veer Singh
Publisher : Cambridge University Press
Release : 2012-06-07
ISBN : 0521819423
Language : En, Es, Fr & De

DOWNLOAD

Book Description :

Bringing together materials mechanics and modelling, this book provides a complete guide to damage mechanics of composite materials for engineers.

Computational Materials Chemistry and Biochemistry From Bold Initiatives to the Last Mile

Computational Materials  Chemistry  and Biochemistry  From Bold Initiatives to the Last Mile Book
Author : Sadasivan Shankar,Richard Muller,Thom Dunning,Guan Hua Chen
Publisher : Springer Nature
Release : 2021-01-25
ISBN : 3030187780
Language : En, Es, Fr & De

DOWNLOAD

Book Description :

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.

Computational Methods in Catalysis and Materials Science

Computational Methods in Catalysis and Materials Science Book
Author : Rutger A. van Santen,Philippe Sautet
Publisher : John Wiley & Sons
Release : 2015-11-19
ISBN : 3527802665
Language : En, Es, Fr & De

DOWNLOAD

Book Description :

This practical guide describes the basic computational methodologies for catalysis and materials science at an introductory level, presenting the methods with relevant applications, such as spectroscopic properties, chemical reactivity and transport properties of catalytically interesting materials. Edited and authored by internationally recognized scientists, the text provides examples that may be considered and followed as state-of-the art.

Advanced Computational Methods in Mechanical and Materials Engineering

Advanced Computational Methods in Mechanical and Materials Engineering Book
Author : Ashwani Kumar,Yatika Gori,Nitesh Dutt,Yogesh Kumar Singla,Ambrish Maurya
Publisher : CRC Press
Release : 2021-11-24
ISBN : 1000483045
Language : En, Es, Fr & De

DOWNLOAD

Book Description :

This book provides in-depth knowledge to solve engineering, geometrical, mathematical, and scientific problems with the help of advanced computational methods with a focus on mechanical and materials engineering. Divided into three subsections covering design and fluids, thermal engineering and materials engineering, each chapter includes exhaustive literature review along with thorough analysis and future research scope. Major topics covered pertains to computational fluid dynamics, mechanical performance, design, and fabrication including wide range of applications in industries as automotive, aviation, electronics, nuclear and so forth. Covers computational methods in design and fluid dynamics with a focus on computational fluid dynamics Explains advanced material applications and manufacturing in labs using novel alloys and introduces properties in material Discusses fabrication of graphene reinforced magnesium metal matrix for orthopedic applications Illustrates simulation and optimization gear transmission, heat sink and heat exchangers application Provides unique problem-solution approach including solutions, methodology, experimental setup, and results validation This book is aimed at researchers, graduate students in mechanical engineering, computer fluid dynamics,fluid mechanics, computer modeling, machine parts, and mechatronics.

Parallel Algorithms in Computational Science and Engineering

Parallel Algorithms in Computational Science and Engineering Book
Author : Ananth Grama,Ahmed H. Sameh
Publisher : Springer Nature
Release : 2020-07-06
ISBN : 3030437361
Language : En, Es, Fr & De

DOWNLOAD

Book Description :

This contributed volume highlights two areas of fundamental interest in high-performance computing: core algorithms for important kernels and computationally demanding applications. The first few chapters explore algorithms, numerical techniques, and their parallel formulations for a variety of kernels that arise in applications. The rest of the volume focuses on state-of-the-art applications from diverse domains. By structuring the volume around these two areas, it presents a comprehensive view of the application landscape for high-performance computing, while also enabling readers to develop new applications using the kernels. Readers will learn how to choose the most suitable parallel algorithms for any given application, ensuring that theory and practicality are clearly connected. Applications using these techniques are illustrated in detail, including: Computational materials science and engineering Computational cardiovascular analysis Multiscale analysis of wind turbines and turbomachinery Weather forecasting Machine learning techniques Parallel Algorithms in Computational Science and Engineering will be an ideal reference for applied mathematicians, engineers, computer scientists, and other researchers who utilize high-performance computing in their work.