Download or read book Thermodynamics Kinetics and Microstructure Modelling written by Simon P. A. Gill and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This course text provides a practical hands-on introduction to the essentials of kinetics, thermodynamics and microstructure modelling of materials. It provides concise practical descriptions of kinetics and microstructure modelling, condensing the essential information into an engaging and accessible text. Class tested by graduate students, the book includes worked examples throughout and is supplemented with phase diagram calculation software to aid learning. This book is ideal as a practical course for final year undergraduates and masters students in materials science and engineering, and is a core text for courses on thermodynamics, phase diagrams, kinetics and microstructure modelling.

Download or read book Kinetics and Microstructure Modelling written by Simon P. a. Gill and published by IOP Publishing Limited. This book was released on 2022-03-31 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This course text provides a practical hands-on introduction to the essentials of kinetics, thermodynamics and microstructure modelling of materials. The first part of the book introduces the concept of thermodynamics in relation to the formation of metal alloys and how to construct equilibrium phase diagrams. The second part builds on this knowledge to couple thermodynamics with material transport kinetics to generate predictive models for the formation and change of material microstructures over time. The book provides concise practical descriptions of kinetics and microstructure modelling, condensing the essential information into an engaging and accessible text. Class tested by graduate students, the book includes worked examples throughout and is supplemented with phase diagram calculation software to aid learning. This book is ideal as a practical course for final year undergraduates and masters students in materials science and engineering, and is a core text for courses on thermodynamics, phase diagrams, kinetics and microstructure modelling. Key Features: Covers the essentials of kinetics, thermodynamics and microstructure modelling of materials in a concise text for advanced students Quantifies how key microstructural features can evolve over time and explains why this is important Defines the main energetic contributions, both physically and mathematically, and explains how they can be used to calculate equilibrium phase diagrams Includes worked examples throughout Supplemented by phase diagram calculation software to aid learning

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 Materials Kinetics written by John C. Mauro and published by Elsevier. This book was released on 2020-11-22 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt: Materials Kinetics: Transport and Rate Phenomena provides readers with a clear understanding of how physical-chemical principles are applied to fundamental kinetic processes. The book integrates advanced concepts with foundational knowledge and cutting-edge computational approaches, demonstrating how diffusion, morphological evolution, viscosity, relaxation and other kinetic phenomena can be applied to practical materials design problems across all classes of materials. The book starts with an overview of thermodynamics, discussing equilibrium, entropy, and irreversible processes. Subsequent chapters focus on analytical and numerical solutions of the diffusion equation, covering Fick's laws, multicomponent diffusion, numerical solutions, atomic models, and diffusion in crystals, polymers, glasses, and polycrystalline materials. Dislocation and interfacial motion, kinetics of phase separation, viscosity, and advanced nucleation theories are examined next, followed by detailed analyses of glass transition and relaxation behavior. The book concludes with a series of chapters covering molecular dynamics, energy landscapes, broken ergodicity, chemical reaction kinetics, thermal and electrical conductivities, Monte Carlo simulation techniques, and master equations. - Covers the full breadth of materials kinetics, including organic and inorganic materials, solids and liquids, theory and experiments, macroscopic and microscopic interpretations, and analytical and computational approaches - Demonstrates how diffusion, viscosity microstructural evolution, relaxation, and other kinetic phenomena can be leveraged in the practical design of new materials - Provides a seamless connection between thermodynamics and kinetics - Includes practical exercises that reinforce key concepts at the end of each chapter

Download or read book Thermodynamics and Kinetics in Materials Science written by Boris S. Bokstein and published by . This book was released on 2005-06-30 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt: Accompanying CD-ROM contains ... "computer tests and laboratories."--CD-ROM label.

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 Computational Thermodynamics written by H. L. Lukas and published by . This book was released on 2007-07-12 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phase diagrams are used in materials research and engineering to understand the interrelationship between composition, microstructure and process conditions. In complex systems, computational methods such as CALPHAD are employed to model thermodynamic properties for each phase and simulate multicomponent phase behavior. Written by recognized experts in the field, this is the first introductory guide to the CALPHAD method, providing a theoretical and practical approach. Building on core thermodynamic principles, this book applies crystallography, first principles methods and experimental data to computational phase behavior modeling using the CALPHAD method. With a chapter dedicated to creating thermodynamic databases, the reader will be confident in assessing, optimizing and validating complex thermodynamic systems alongside database construction and manipulation. Several case studies put the methods into a practical context, making this suitable for use on advanced materials design and engineering courses and an invaluable reference to those using thermodynamic data in their research or simulations.

Download or read book Thermodynamics of Flowing Systems written by Antony N. Beris and published by Oxford University Press, USA. This book was released on 1994 with total page 705 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mystery.

Download or read book Thermodynamic Modeling and Materials Data Engineering written by J.-P. Caliste and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: J.-P. CALISTE, A. TRUYOL AND J. WESTBROOK The Series, "Data and Knowledge in a Changing World", exemplifies CODATA's primary purpose of collecting, from widely different fields, a wealth of information on efficient exploitation of data for progress in science and technology and making that information available to scientists and engineers. A separate and complementary CODATA Reference Series will present Directories of compiled and evaluated data and Glossaries of data-related terms. The present book "Thermodynamic Modeling and Materials Data Engineering" discusses thermodynamic, structural, systemic and heuristic approaches to the modeling of complex materials behavior in condensed phases, both fluids and solids, in order to evaluate their potential applications. Itwas inspired by the Symposium on "Materials and Structural Properties" held during the 14th International CODATA Conference in Chambery, France. The quality of the contributions to this Symposium motivated us to present" a coherent book of interest to the field. Updated contributions inspired by Symposium discussions and selections from other CODATA workshops concerning material properties data and Computer Aided Design combine to highlight the complexity of material data issues on experimental, theoretical and simulation levels Articles were selected for their pertinence in three areas. Complex data leading to interesting developments and tools such as: • new developments in state equations and their applications, • prediction and validation of physical and energy data by group correlations for pure compounds, • modeling and prediction of mixture properties.

Download or read book Continuum Scale Simulation of Engineering Materials written by Dierk Raabe and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 885 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book fills a gap by presenting our current knowledge and understanding of continuum-based concepts behind computational methods used for microstructure and process simulation of engineering materials above the atomic scale. The volume provides an excellent overview on the different methods, comparing the different methods in terms of their respective particular weaknesses and advantages. This trains readers to identify appropriate approaches to the new challenges that emerge every day in this exciting domain. Divided into three main parts, the first is a basic overview covering fundamental key methods in the field of continuum scale materials simulation. The second one then goes on to look at applications of these methods to the prediction of microstructures, dealing with explicit simulation examples, while the third part discusses example applications in the field of process simulation. By presenting a spectrum of different computational approaches to materials, the book aims to initiate the development of corresponding virtual laboratories in the industry in which these methods are exploited. As such, it addresses graduates and undergraduates, lecturers, materials scientists and engineers, physicists, biologists, chemists, mathematicians, and mechanical engineers.

Download or read book The Fundamentals and Applications of Phase Field Method in Quantitative Microstructural Modeling written by Chen Shen and published by . This book was released on 2004 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: The key to predicting and therefore controlling properties of materials is the knowledge of microstructure. As computer modeling and simulation is becoming an important part of materials science and engineering, there is an ever-increasing demand for quantitative models that are able to handle microstructures of realistic complexity at length and time scales of practical interest. The phase field approach has become the method of choice for modeling complicated microstructural evolutions during various phase transformations, grain growth and plastic deformation. Using gradient thermodynamics of non-uniform systems and Langevin dynamics, the method characterizes arbitrary microstructures and their spatial-temporal evolution with field variables, and is capable of simulating microstructures and their evolution under various realistic conditions. However, the adoption of the phase field method in practical applications has been slow because the current phase field microstructure modeling is qualitative in nature. In this thesis, recent efforts in developing the phase field method for quantitative microstructure modeling are presented. This includes extension of the phase field method to situations where nucleation, growth and coarsening occur concurrently, incorporation of anisotropic elastic energy into the nucleation activation energy, and comparison of phase field kinetics for diffusion-controlled phase transformations with Johnson-Mehl-Avrami-Kolmogorov (JMAK) theory. The recent extensions of the phase field method to modeling dislocation networks, dislocation core structures and partial dislocations, and dislocation interactions with $\gamma$/$\gamma'$ microstructures in superalloys are also presented. The length scale limitations and practical approaches to increase simulation length scales for quantitative modeling are discussed for a quite general category of phase field applications. These extensions enable various new understandings of microstructure. For example, coherent precipitates are found to behave similar to dislocations and grain boundaries, causing solute segregation, correlated nucleation and autocatalytic effect. The overall kinetics in diffusion-controlled precipitation agrees with the JMAK prediction only at early stages, and due to soft-impingement and the Gibbs-Thomson effect the later kinetics could deviate considerably. The modified formulations in phase field dislocation model allow studying complex dislocation structures, including networks and dissociated nodes, in a self-consistent way. The introduction of $\gamma$-surfaces enables treating dislocation motion in multi-phase microstructure in one model.

Download or read book The Diffuse Interface Approach in Materials Science written by Heike Emmerich and published by Springer Science & Business Media. This book was released on 2004-06-17 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book is devoted to the application of phase-field (diffuse interface) models in materials science. Phase-field modeling emerged only recently as a theoretical approach to tackle questions concerning the evolution of materials microstructure, the relation between microstructure and materials properties and the transformation and evolution of different phases. This volume brings together the essential thermodynamic ideas as well as the essential mathematical tools to derive phase-field model equations. Starting from an elementary level such that any graduate student familiar with the basic concepts of partial differential equations can follow, it shows how advances in the field of phase-field modeling will come from a combination of thermodynamic, mathematical and computational tools. Also included are two extensive examples of the application of phase-field models in materials science.

Download or read book TMS 2014 143rd Annual Meeting Exhibition Annual Meeting Supplemental Proceedings written by The Minerals, Metals & Materials Society (TMS) and published by Springer. This book was released on 2016-12-16 with total page 1152 pages. Available in PDF, EPUB and Kindle. Book excerpt: These papers present advancements in all aspects of high temperature electrochemistry, from the fundamental to the empirical and from the theoretical to the applied. Topics involving the application of electrochemistry to the nuclear fuel cycle, chemical sensors, energy storage, materials synthesis, refractory metals and their alloys, and alkali and alkaline earth metals are included. Also included are papers that discuss various technical, economic, and environmental issues associated with plant operations and industrial practices.

Download or read book Fundamentals of Materials Science written by Eric J. Mittemeijer and published by Springer Nature. This book was released on 2022-01-01 with total page 754 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook offers a strong introduction to the fundamental concepts of materials science. It conveys the quintessence of this interdisciplinary field, distinguishing it from merely solid-state physics and solid-state chemistry, using metals as model systems to elucidate the relation between microstructure and materials properties. Mittemeijer's Fundamentals of Materials Science provides a consistent treatment of the subject matter with a special focus on the microstructure-property relationship. Richly illustrated and thoroughly referenced, it is the ideal adoption for an entire undergraduate, and even graduate, course of study in materials science and engineering. It delivers a solid background against which more specialized texts can be studied, covering the necessary breadth of key topics such as crystallography, structure defects, phase equilibria and transformations, diffusion and kinetics, and mechanical properties. The success of the first edition has led to this updated and extended second edition, featuring detailed discussion of electron microscopy, supermicroscopy and diffraction methods, an extended treatment of diffusion in solids, and a separate chapter on phase transformation kinetics. “In a lucid and masterly manner, the ways in which the microstructure can affect a host of basic phenomena in metals are described.... By consistently staying with the postulated topic of the microstructure - property relationship, this book occupies a singular position within the broad spectrum of comparable materials science literature .... it will also be of permanent value as a reference book for background refreshing, not least because of its unique annotated intermezzi; an ambitious, remarkable work.” G. Petzow in International Journal of Materials Research. “The biggest strength of the book is the discussion of the structure-property relationships, which the author has accomplished admirably.... In a nutshell, the book should not be looked at as a quick ‘cook book’ type text, but as a serious, critical treatise for some significant time to come.” G.S. Upadhyaya in Science of Sintering. “The role of lattice defects in deformation processes is clearly illustrated using excellent diagrams . Included are many footnotes, ‘Intermezzos’, ‘Epilogues’ and asides within the text from the author’s experience. This ..... soon becomes valued for the interesting insights into the subject and shows the human side of its history. Overall this book provides a refreshing treatment of this important subject and should prove a useful addition to the existing text books available to undergraduate and graduate students and researchers in the field of materials science.” M. Davies in Materials World.

Download or read book Computational Thermodynamics of Materials written by Zi-Kui Liu and published by Cambridge University Press. This book was released on 2016-06-30 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.

Download or read book The Modelling of Microstructure and its Potential for Studying Transport Properties and Durability written by H. Jennings and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt: From July 10th through July 13th, 1994, an informal workshop co-organized by RILEM committees 116-PCD and 123-MME was held at Saint-Remy-Ies Chevreuse, France, and attended by 38 delegates from 16 countries. Twenty-nine papers were presented, converging the general subjects of modelling micro structures and predicting durability of concrete and other cement-based materials. A short summary follows: G. M. Idom's paper entitled "Modelling Research for Concrete Engineering" serves as an introduction to the workshop, presenting an overview of modelling research with the conelusion that the broad practica1 objective is to produce high-quality concrete. This means that many characteristics, ranging from rheology to alkali-silica reaction, must be modelled. In other words, the system must be understood. Idom's paper sets the stage for papers in two general areas: 1) models and 2) transport properties. After this, abrief survey of the develop ment of microstructurally-based models is presented. A elose relationship between computer power and speed is suggested. The first group of papers on models covers the subjects of scale and resolution. Most models define and predict characteristics of the pore system, which range in scale from nanometer to millimeter. Various types ofnetworks are proposed in these papers. A good microstructural model must describe the pores and other phases at ascale appropriate to the properties that the model predicts. Also, a good model should be based on fundamental knowledge. In the case of cement-based materials, the important properties may depend on the microstructure, especially the porosity, at several scales.

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