Advanced Computational Materials Science
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Advanced Computational Materials Modeling
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Author : Miguel Vaz Junior
language : en
Publisher: John Wiley & Sons
Release Date : 2011-09-22
Advanced Computational Materials Modeling written by Miguel Vaz Junior and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-09-22 with Technology & Engineering categories.
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.
Computational Materials Science
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Author : June Gunn Lee
language : en
Publisher: CRC Press
Release Date : 2011-09-27
Computational Materials Science written by June Gunn Lee and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-09-27 with Technology & Engineering categories.
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 computational treatments of these system levels using molecular dynamics (MD) and first-principles methods, since they are most relevant in materials science and engineering. After a general overview of computational science, the text introduces MD methods based on classical mechanics and covers their implementation with run examples of XMD and LAMMPS. The author discusses first-principles methods based on quantum mechanics at an introductory level, using illustrations and analogies to assist students in understanding this difficult subject. The book then describes the density functional theory (DFT)—the first-principles method that can handle materials practically. It also reveals how each orbital of electron leads to particular properties of solids, such as total energy, band structure, and barrier energy. The final chapter implements the DFT into actual calculations with various run examples via the VASP program. Computational methods are contributing more than ever to the development of advanced materials and new applications. For students and newcomers to computational science, this text shows how computational science can be used as a tool for solving materials problems. Further reading sections provide students with more advanced references.
Advanced Computational Engineering And Experimenting Iii
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Author : Andreas Öchsner
language : en
Publisher: Trans Tech Publications Ltd
Release Date : 2014-04-09
Advanced Computational Engineering And Experimenting Iii written by Andreas Öchsner and has been published by Trans Tech Publications Ltd this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-04-09 with Technology & Engineering categories.
Volume is indexed by Thomson Reuters CPCI-S (WoS). This special issue of Key Engineering Materials contains selected refereed papers presented at the Seventh International Conference on Advanced Computational Engineering and Experimenting (ACE-X 2013) held at NH Ribera del Manzanares (Madrid), Spain during the period 1st - 4th July, 2013. The goal of the conference was to provide a unique opportunity to exchange information, to present the latest results as well as to review the relevant issues on contemporary research in mechanical engineering. Young scientists were especially encouraged to attend the conference and to establish international networks with well-known scientists.
Advanced Computational Methods In Mechanical And Materials Engineering
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Author : Ashwani Kumar
language : en
Publisher: CRC Press
Release Date : 2021-11-23
Advanced Computational Methods In Mechanical And Materials Engineering written by Ashwani Kumar and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-11-23 with Computers categories.
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.
Computational Materials Engineering
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Author : Maciej Pietrzyk
language : en
Publisher: Butterworth-Heinemann
Release Date : 2015-07-14
Computational Materials Engineering written by Maciej Pietrzyk and has been published by Butterworth-Heinemann this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-07-14 with Technology & Engineering categories.
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
Computational Materials Science
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Author : June Gunn Lee
language : en
Publisher: CRC Press
Release Date : 2016-11-25
Computational Materials Science written by June Gunn Lee and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-25 with Science categories.
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.
Theory And Simulation In Physics For Materials Applications
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Author : Elena V. Levchenko
language : en
Publisher: Springer Nature
Release Date : 2020-02-14
Theory And Simulation In Physics For Materials Applications written by Elena V. Levchenko and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-02-14 with Technology & Engineering categories.
This book provides a unique and comprehensive overview of the latest advances, challenges and accomplishments in the rapidly growing field of theoretical and computational materials science. Today, an increasing number of industrial communities rely more and more on advanced atomic-scale methods to obtain reliable predictions of materials properties, complement qualitative experimental analyses and circumvent experimental difficulties. The book examines some of the latest and most advanced simulation techniques currently available, as well as up-to-date theoretical approaches adopted by a selected panel of twelve international research teams. It covers a wide range of novel and advanced materials, exploring their structural, elastic, optical, mass and electronic transport properties. The cutting-edge techniques presented appeal to physicists, applied mathematicians and engineers interested in advanced simulation methods in materials science. The book can also be used as additional literature for undergraduate and postgraduate students with majors in physics, chemistry, applied mathematics and engineering.
Computational Materials Science
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Author : Feng Xiong
language : en
Publisher: Trans Tech Publications Ltd
Release Date : 2011-07-04
Computational Materials Science written by Feng Xiong and has been published by Trans Tech Publications Ltd this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-07-04 with Technology & Engineering categories.
The goal of this collection was to gather together up-to-date knowledge from researchers in academia and industry, as well as end-uses, and also give them the opportunity to share ideas, problems and solutions related to the divers aspects of Computational Materials Science, Mechanical, Industrial and Manufacturing Engineering. The result is an up-to-date survey which should be essential reading for those interested in thesetopics. Volume is indexed by Thomson Reuters CPCI-S (WoS).
Topics In Computational Materials Science
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Author : Ching-yao Fong
language : en
Publisher: World Scientific
Release Date : 1998
Topics In Computational Materials Science written by Ching-yao Fong and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with Technology & Engineering categories.
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.
Advanced Computational Engineering And Experimenting
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Author : Andreas Öchsner
language : en
Publisher: Trans Tech Publications Ltd
Release Date : 2011-04-19
Advanced Computational Engineering And Experimenting written by Andreas Öchsner and has been published by Trans Tech Publications Ltd this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-04-19 with Technology & Engineering categories.
Volume is indexed by Thomson Reuters CPCI-S (WoS). The goal of this special collection was to provide an unique opportunity to exchange information, to present the latest results as well as to review relevant issues concerning contemporary research in mechanical engineering. Young scientists in particular were encouraged to submit their latest research results, and this is reflected in the final result.