Download or read book Computational Materials System Design written by Dongwon Shin and published by Springer. This book was released on 2017-11-10 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.
Download or read book Integrated Computational Materials Engineering written by National Research Council and published by National Academies Press. This book was released on 2008-10-24 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Computational Materials Science written by June Gunn Lee and published by CRC Press. This book was released on 2016-11-25 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.
Download or read book Computational Approaches to Materials Design Theoretical and Practical Aspects written by Datta, Shubhabrata and published by IGI Global. This book was released on 2016-06-16 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of new and superior materials is beneficial within industrial settings, as well as a topic of academic interest. By using computational modeling techniques, the probable application and performance of these materials can be easily evaluated. Computational Approaches to Materials Design: Theoretical and Practical Aspects brings together empirical research, theoretical concepts, and the various approaches in the design and discovery of new materials. Highlighting optimization tools and soft computing methods, this publication is a comprehensive collection for researchers, both in academia and in industrial settings, and practitioners who are interested in the application of computational techniques in the field of materials engineering.
Download or read book Materials Design Using Computational Intelligence Techniques written by Shubhabrata Datta and published by CRC Press. This book was released on 2016-10-26 with total page 185 pages. Available in PDF, EPUB and Kindle. Book excerpt: Several statistical techniques are used for the design of materials through extraction of knowledge from existing data banks. These approaches are getting more attention with the application of computational intelligence techniques. This book illustrates the alternative but effective methods of designing materials, where models are developed through capturing the inherent correlations among the variables on the basis of available imprecise knowledge in the form of rules or database, as well as through the extraction of knowledge from experimental or industrial database, and using optimization tools.
Download or read book Computational Materials Science written by June Gunn Lee and published by CRC Press. This book was released on 2011-09-27 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Computational Materials Engineering written by Koenraad George Frans Janssens and published by Academic Press. This book was released on 2010-07-26 with total page 359 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior, including the physical, thermal and chemical parameters, as well as the mathematical tools used to perform simulations. Its emphasis will be on crystalline materials, which includes all metals. The basis of Computational Materials Engineering allows scientists and engineers to create virtual simulations of material behavior and properties, to better understand how a particular material works and performs and then use that knowledge to design improvements for particular material applications. The text displays knowledge of software designers, materials scientists and engineers, and those involved in materials applications like mechanical engineers, civil engineers, electrical engineers, and chemical engineers. Readers from students to practicing engineers to materials research scientists will find in this book a single source of the major elements that make up contemporary computer modeling of materials characteristics and behavior. The reader will gain an understanding of the underlying statistical and analytical tools that are the basis for modeling complex material interactions, including an understanding of computational thermodynamics and molecular kinetics; as well as various modeling systems. Finally, the book will offer the reader a variety of algorithms to use in solving typical modeling problems so that the theory presented herein can be put to real-world use. Balanced coverage of fundamentals of materials modeling, as well as more advanced aspects of modeling, such as modeling at all scales from the atomic to the molecular to the macro-material Concise, yet rigorous mathematical coverage of such analytical tools as the Potts type Monte Carlo method, cellular automata, phase field, dislocation dynamics and Finite Element Analysis in statistical and analytical modeling
Download or read book Computational Materials Design written by Tetsuya Saito and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book consists of ten chapters which outline a wide range of technologies from first-principle calculations to continuum mechanics, with applications to materials design and development. Written with a clear exposition, this book will be invaluable for engineers who want to learn about the modern technologies and techniques utilized in materials design.
Download or read book Computational Materials and Biological Sciences written by Kholmirzo Kholmurodov and published by Nova Science Publishers. This book was released on 2015 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this book, original papers have been collected to demonstrate the efficient use of computer molecular dynamics simulation methods for the studying of nanoscale phenomena in the materials and life sciences. This book discusses modern molecular simulation methods for the study of molecular shape and properties in protein and polymer engineering, drugs and materials design, structure-function relationships, and related issues. This book contains the Proceedings of the MSSMBS-2014 and DSCMBS-2014 International Workshops which have been organised by the Joint Institute for Nuclear Research, the Institute of Bioorganic Chemistry of the Russian Academy of Sciences and S.U. Umarov Physical-Technical Institute of the Academy of Sciences of the Republic of Tajikistan. The research topics discussed in the MSSMBS'14 & DSCMBS'14 International Workshops are as follows: computer molecular simulation methods and approaches; molecular dynamics and Monte-Carlo techniques; modelling of biological molecules; physical and biochemical systems; material fabrication and design; drug design in medicine; computational and computing physics, chemistry, biology and medicine; GPU accelerated molecular dynamics and related techniques.
Download or read book Integrated Computational Materials Engineering written by National Research Council and published by National Academies Press. This book was released on 2008-09-24 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Integrated Design of Multiscale Multifunctional Materials and Products written by David L. McDowell and published by Butterworth-Heinemann. This book was released on 2009-09-30 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrated Design of Multiscale, Multifunctional Materials and Products is the first of its type to consider not only design of materials, but concurrent design of materials and products. In other words, materials are not just selected on the basis of properties, but the composition and/or microstructure iw designed to satisfy specific ranged sets of performance requirements. This book presents the motivation for pursuing concurrent design of materials and products, thoroughly discussing the details of multiscale modeling and multilevel robust design and provides details of the design methods/strategies along with selected examples of designing material attributes for specified system performance. It is intended as a monograph to serve as a foundational reference for instructors of courses at the senior and introductory graduate level in departments of materials science and engineering, mechanical engineering, aerospace engineering and civil engineering who are interested in next generation systems-based design of materials. - First of its kind to consider not only design of materials, but concurrent design of materials and products - Treatment of uncertainty via robust design of materials - Integrates the "materials by design approach" of Olson/Ques Tek LLC with the "materials selection" approach of Ashby/Granta - Distinquishes the processes of concurrent design of materials and products as an overall systems design problem from the field of multiscale modeling - Systematic mathematical algorithms and methods are introduced for robust design of materials, rather than ad hoc heuristics--it is oriented towards a true systems approach to design of materials and products
Download or read book Computational Materials Science written by and published by Elsevier. This book was released on 2004-03-19 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational tools have been permanently deposited into the toolbox of theoretical chemists. The impact of new computational tools can hardly be overestimated, and their presence in research and applications is overwhelming. Theoretical methods such as quantum mechanics, molecular dynamics, and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs, and chemicals. This volume on Computational Material Sciences covers selected examples of notable applications of computational techniques to material science. The chapters contained in this volume include discussions of the phenomenon of chaos in chemistry, reaction network analysis, and mechanisms of formation of clusters. Details of more practical applications are also included in the form of reviews of computational design of new materials and the prediction of properties and structures of well known molecular assemblies. Current developments of effective computational methods, which will help in understanding, predicting, and optimizing periodic systems, nanostructures, clusters and model surfaces are also covered in this volume. - Reviews of current computational methods applied in material science - Reviews of practical applications of modelling of structures and properties of materials - Cluster and periodical approaches
Download or read book Computational Design of Engineering Materials written by Yong Du and published by Cambridge University Press. This book was released on 2023-04-30 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presenting the fundamentals, key multiscale methods, and case studies for computational design of engineering materials.
Download or read book Computational Materials Design in Heterogeneous Systems written by Maria Sushko and published by Curran Associates. This book was released on 2012 with total page 32 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Applied Computational Materials Modeling written by Guillermo Bozzolo and published by Springer Science & Business Media. This book was released on 2007-12-19 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: The scope of this book is to identify and emphasize the successful link between computational materials modeling as a simulation and design tool and its synergistic application to experimental research and alloy development. The book provides a more balanced perspective of the role that computational modeling can play in every day research and development efforts. Each chapter describes one or more particular computational tool and how they are best used.
Download or read book Computational Materials Science written by Eugene Kotomin and published by IOS Press. This book was released on 2003 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 433 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.
