Download or read book Nanostructures in Ferroelectric Films for Energy Applications written by Jun Ouyang and published by Elsevier. This book was released on 2019-06-06 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanostructures in Ferroelectric Films for Energy Applications: Grains, Domains, Interfaces and Engineering Methods presents methods of engineering nanostructures in ferroelectric films to improve their performance in energy harvesting and conversion and storage. Ferroelectric films, which have broad applications, including the emerging energy technology, usually consist of nanoscale inhomogeneities. For polycrystalline films, the size and distribution of nano-grains determines the macroscopic properties, especially the field-induced polarization response. For epitaxial films, the energy of internal long-range electric and elastic fields during their growth are minimized by formation of self-assembled nano-domains. This book is an accessible reference for both instructors in academia and R&D professionals. - Provides the necessary components for the systematic study of the structure-property relationship in ferroelectric thin film materials using case studies in energy applications - Written by leading experts in the research areas of piezoelectrics, electrocalorics, ferroelectric dielectrics (especially in capacitive energy storage), ferroelectric domains, and ferroelectric-Si technology - Includes a well balanced mix of theoretical design and simulation, materials processing and integration, and dedicated characterization methods of the involved nanostructures

Download or read book Computational Approaches to Energy Materials written by Richard Catlow and published by John Wiley & Sons. This book was released on 2013-04-03 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of materials for clean and efficient energy generation and storage is one of the most rapidly developing, multi-disciplinary areas of contemporary science, driven primarily by concerns over global warming, diminishing fossil-fuel reserves, the need for energy security, and increasing consumer demand for portable electronics. Computational methods are now an integral and indispensable part of the materials characterisation and development process. Computational Approaches to Energy Materials presents a detailed survey of current computational techniques for the development and optimization of energy materials, outlining their strengths, limitations, and future applications. The review of techniques includes current methodologies based on electronic structure, interatomic potential and hybrid methods. The methodological components are integrated into a comprehensive survey of applications, addressing the major themes in energy research. Topics covered include: • Introduction to computational methods and approaches • Modelling materials for energy generation applications: solar energy and nuclear energy • Modelling materials for storage applications: batteries and hydrogen • Modelling materials for energy conversion applications: fuel cells, heterogeneous catalysis and solid-state lighting • Nanostructures for energy applications This full colour text is an accessible introduction for newcomers to the field, and a valuable reference source for experienced researchers working on computational techniques and their application to energy materials.

Download or read book Introduction to Computational Materials Science written by Richard LeSar and published by Cambridge University Press. This book was released on 2013-03-28 with total page 429 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 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.

Download or read book High Entropy Alloys written by Saurabh S. Nene and published by Springer Nature. This book was released on with total page 319 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Multiscale Modeling Simulation and Visualization and Their Potential for Future Aerospace Systems written by and published by . This book was released on 2002 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt:

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 Handbook of Nuclear Engineering written by Dan Gabriel Cacuci and published by Springer Science & Business Media. This book was released on 2010-09-14 with total page 3701 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is an authoritative compilation of information regarding methods and data used in all phases of nuclear engineering. Addressing nuclear engineers and scientists at all levels, this book provides a condensed reference on nuclear engineering since 1958.

Download or read book Quantitative Phase Field Modelling of Solidification written by Nikolas Provatas and published by CRC Press. This book was released on 2021-10-12 with total page 186 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a study of phase field modelling of solidification in metal alloy systems. It is divided in two main themes. The first half discusses several classes of quantitative multi-order parameter phase field models for multi-component alloy solidification. These are derived in grand potential ensemble, thus tracking solidification in alloys through the evolution of the chemical potentials of solute species rather than the more commonly used solute concentrations. The use of matched asymptotic analysis for making phase field models quantitative is also discussed at length, and derived in detail in order to make this somewhat abstract topic accessible to students. The second half of the book studies the application of phase field modelling to rapid solidification where solute trapping and interface undercooling follow highly non-equilibrium conditions. In this limit, matched asymptotic analysis is used to map phase field evolution equations onto the continuous growth model, which is generally accepted as a sharp-interface description of solidification at rapid solidification rates. This book will be of interest to graduate students and researchers in materials science and materials engineering. Key Features Presents a clear path to develop quantitative multi-phase and multi-component phase field models for solidification and other phase transformation kinetics Derives and discusses the quantitative nature of the model formulations through matched interface asymptotic analysis Explores a framework for quantitative treatment of rapid solidification to control solute trapping and solute drag dynamics

Download or read book Trends In Welding Research written by Stan A. David and published by ASM International. This book was released on 2006-01-01 with total page 1015 pages. Available in PDF, EPUB and Kindle. Book excerpt:

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 Zentropy written by Zi-Kui Liu and published by CRC Press. This book was released on 2024-08-23 with total page 855 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book compiles selected publications authored or co-authored by the editor to present a comprehensive understanding of following topics: (1) density functional theory and CALPHAD modeling; (2) computational tools; and (3) applications of computational thermodynamics. It is noted that while entropy at one scale is well represented by standard statistical mechanics in terms of probability of individual configurations at that scale, the theory capable of counting total entropy of a system from different scales is lacking. The zentropy theory provides a nested form for configurational entropy enabling multiscale modeling to account for disorder and fluctuations from the electronic scale based on quantum mechanics to the experimental scale based on statistical mechanics using free energies of individual configurations rather than their total energies in standard statistical mechanics. The predictions from the zentropy theory demonstrate remarkable agreements with experimental observations for magnetic transitions and associated emergent behaviors of strongly correlated metals and oxides, including singularity and instability at critical points and positive and negative thermal expansions, without the need of additional truncated models and fitting model parameters beyond density function theory. This paves the way to provide the predicted phase equilibrium data for high throughput predictive CALPHAD modeling of complex material systems, and those individual configurations may thus be considered as the genomic building blocks of individual phases in the spirit of Materials Genome®.

Download or read book Advances in the Science and Engineering of Casting Solidification written by Laurentiu Nastac and published by Springer. This book was released on 2016-12-16 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: This collection encompasses the following four areas: (1) Solidification processing: theoretical and experimental investigations of solidification processes including castings solidification, directional solidification of alloys, electromagnetic stirring, ultrasonic cavitation, mechanical vibration, active cooling and heating, powder bed-electron beam melting additive manufacturing, etc. for processing of metals, polymers and composite materials; (2) Microstructure Evolution: theoretical and experimental studies related to microstructure evolution of materials including prediction of solidification-related defects and particle pushing/engulfment aspects; (3) Novel Casting and Molding Processes: modeling and experimental aspects including high pressure die casting, permanent casting, centrifugal casting, low pressure casting, 3D silica sand mold printing, etc.; and (4) Cast Iron: all aspects related to cast iron characterization, computational and analytical modeling, and processing.

Download or read book Developments in Strategic Materials and Computational Design III Volume 33 Issue 10 written by Waltraud M. Kriven and published by John Wiley & Sons. This book was released on 2012-11-29 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exploring the latest findings, new materials, and applications, this issue keeps readers current with some of the most important developments in strategic materials and the computational design of ceramics and composites. It features select contributions from one symposium and three focused sessions that took place in January 2012 during the 36th International Conference and Exposition on Advanced Ceramics and Composites (ICACC). This issue represents one of nine CESP issues published from the 36th ICACC meeting.

Download or read book Phase Field Methods in Materials Science and Engineering written by Nikolas Provatas and published by John Wiley & Sons. This book was released on 2011-07-26 with total page 323 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive and self-contained, one-stop source discusses phase-field methodology in a fundamental way, explaining advanced numerical techniques for solving phase-field and related continuum-field models. It also presents numerical techniques used to simulate various phenomena in a detailed, step-by-step way, such that readers can carry out their own code developments. Features many examples of how the methods explained can be used in materials science and engineering applications.

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 Computer aided Design of High temperature Materials written by Alexander Pechenik and published by Topics in Physical Chemistry. This book was released on 1999 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: High-temperature materials is a fast-moving research area with numerous practical applications. Materials that can withstand extremely high temperatures and extreme environments are generating considerable attention worldwide; however, designing materials that have low densities, elevated melting temperatures, oxidation resistance, creep resistance, and intrinsic toughness encompass some of the most challenging problems in materials science. The current search for high-temperature materials is largely based on traditional, trial-and-error experimental methods which are costly and time-consuming. An effective way to accelerate research in this field is to use recent advances in materials simulations and high performance computing and communications (HPCC) to guide experiments. This synergy between experiment and advanced materials modeling will significantly enhance the synthesis of novel high-temperature materials. This volume collects recent work from experimental and computational scientists on high-temperature materials and emphasizes the potential for collaboration. It features state-of-the-art materials modeling and recent experimental developments in high-temperature materials. Topics include fundamental phenomena and properties; measurements and modeling of interfacial phenomena, stresses, growth of defects, strain, and fracture; and electronic structure and molecular dynamics.

Download or read book High Performance Computing in Science and Engineering 17 written by Wolfgang E. Nagel and published by Springer. This book was released on 2018-02-16 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the state-of-the-art in supercomputer simulation. It includes the latest findings from leading researchers using systems from the High Performance Computing Center Stuttgart (HLRS) in 2017. The reports cover all fields of computational science and engineering ranging from CFD to computational physics and from chemistry to computer science with a special emphasis on industrially relevant applications. Presenting findings of one of Europe’s leading systems, this volume covers a wide variety of applications that deliver a high level of sustained performance.The book covers the main methods in high-performance computing. Its outstanding results in achieving the best performance for production codes are of particular interest for both scientists and engineers. The book comes with a wealth of color illustrations and tables of results.