Download or read book First principles Calculations of Thermodynamic Properties and Phase Diagrams of Binary Substitutional Alloys written by Mark David Asta and published by . This book was released on 1993 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book CALPHAD and Alloy Thermodynamics written by Patrice E. A. Turchi and published by Minerals, Metals, & Materials Society. This book was released on 2002 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: These proceedings emphasize all theoretical aspects of computational thermodynamics and kinetics and their impact on the science of alloys and materials design. The book offers an assesment of the CALPHAD (Calculation of Phase Diagrams) approach pioneered by Larry Kaufman.

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 First principles Calculation of the Gound State and Thermodynamic Properties of Alloys written by John Mikalopas and published by . This book was released on 1993 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt:

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 Vibrational Properties of Solids written by Gideon Gilat and published by Elsevier. This book was released on 2012-12-02 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: Methods in Computational Physics, Volume 15: Vibrational Properties of Solids explores the application of computational methods to delineate microscopic vibrational behavior. This book is composed of nine chapters that further illustrate the utility of these methods to ordered lattices, quantum solids, impurity modes, surface modes, and amorphous solids. The opening chapters present the basic theoretical models and their computational aspects for different solids of diverse chemical nature, together with some methods of automation and computation in the highly sophisticated experiments in inelastic scattering of neutrons. These topics are followed by a discussion on how group theoretical methods treated by computers can yield the proper symmetry assignments of phonon eigenvalues and eigenstates. Considerable chapters are devoted to the different applications of traditional lattice dynamics, each having its own computational ramification. Other chapters survey the properties of solids that mostly involve integrations over the Brillouin zone. The last chapter concerns the dynamic or time-dependent aspect of lattice dynamics, namely, the calculation of thermal and electric conductivities in some models of solids. This book is of great benefit to geoscientists, physicists, and mathematicians.

Download or read book Alloy Modeling Design written by G. M. Stocks and published by Minerals, Metals, & Materials Society. This book was released on 1994 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work brings together contributions from researchers in a variety of fields that have a common interest in applying the most recent developments in basic research to the design of new alloys. The papers are from Materials Week '93 held in Pittsburgh, Pennsylvania, October 17-21, 1993.

Download or read book Advances in Research and Applications written by and published by Academic Press. This book was released on 1994-11-07 with total page 513 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest volume in the world renowned Solid State Physics series marks the fruition of Founding Editor David Turnbull's outstanding tenure as series editor. Volume 47 presents five articles written by leadingexperts on areas including crystal-melt interfacial tension, order-disorder transformation in alloys, brittle matrix composites, surfaces and interfaces, and magnetoresistance.

Download or read book Phonons Theory and Experiments I written by Peter Brüesch and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: This two-volume treatment grew out of lectures the author gave at the "Ecole Poly technique Federale de Lausanne" during the years 1975-1980 for graduate students in experimental physics in their last year of study. It is written by an experimentalist with some interest in theory and is ad dressed mainly to experimentalists, but also to theoreticians interested in experiments. This treatment tries to bridge the gap between theory and experiments; it should assist experimentalists in the interpretation of their data in the vast field of lattice dynamics. An attempt has been made to provide not only the basic concepts but also a working knowledge in this field of solid-state physics. In this first volume, the basic concepts of the physics of phonons are developed and illustrated by many examples; it provides the background necessary for the interpretation of most experimental results. The second volume, which is in preparation, is devoted to experimental techniques, the interpretation of experiments, and discussion of phenomena which are directly related with phonons. The book is designed for introductory courses at the graduate level. It is believed that the book will also prove useful to those graduate students starting research in this or related fields, as well as to many workers already active in this branch of solid-state physics.

Download or read book Phase Equilibria Phase Diagrams and Phase Transformations written by Mats Hillert and published by Cambridge University Press. This book was released on 2007-11-22 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational tools allow material scientists to model and analyze increasingly complicated systems to appreciate material behavior. Accurate use and interpretation however, requires a strong understanding of the thermodynamic principles that underpin phase equilibrium, transformation and state. This fully revised and updated edition covers the fundamentals of thermodynamics, with a view to modern computer applications. The theoretical basis of chemical equilibria and chemical changes is covered with an emphasis on the properties of phase diagrams. Starting with the basic principles, discussion moves to systems involving multiple phases. New chapters cover irreversible thermodynamics, extremum principles, and the thermodynamics of surfaces and interfaces. Theoretical descriptions of equilibrium conditions, the state of systems at equilibrium and the changes as equilibrium is reached, are all demonstrated graphically. With illustrative examples - many computer calculated - and worked examples, this textbook is an valuable resource for advanced undergraduates and graduate students in materials science and engineering.

Download or read book CALPHAD Calculation of Phase Diagrams A Comprehensive Guide written by N. Saunders and published by Elsevier. This book was released on 1998-06-09 with total page 497 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph acts as a benchmark to current achievements in the field of Computer Coupling of Phase Diagrams and Thermochemistry, often called CALPHAD which is an acronym for Computer CALculation of PHAse Diagrams. It also acts as a guide to both the basic background of the subject area and the cutting edge of the topic, combining comprehensive discussions of the underlying physical principles of the CALPHAD method with detailed descriptions of their application to real complex multi-component materials.Approaches which combine both thermodynamic and kinetic models to interpret non-equilibrium phase transformations are also reviewed.

Download or read book Statics and Dynamics of Alloy Phase Transformations written by Patrice E.A. Turchi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 725 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of phase transformations in substitutional alloys, including order disorder phenomena and structural transformations, plays a crucial role in understanding the physical and mechanical properties of materials, and in designing alloys with desired technologically important characteristics. Indeed, most of the physical properties, including equilibrium properties, transport, magnetic, vibrational as well as mechanical properties of alloys are often controlled by and are highly sensitive to the existence of ordered compounds and to the occurrence of structural transformations. Correspondingly, the alloy designer facing the task of processing new high-performance materials with properties that meet specific industrial applications must answer the following question: What is the crystalline structure and the atomic configuration that an alloy may exhibit at given temperature and concentration? Usually the answer is sought in the phase-diagram of a relevant system that is often determined experimentally and does not provide insight to the underlying mechanisms driving phase stability. Because of the rather tedious and highly risky nature of developing new materials through conventional metallurgical techniques, a great deal of effort has been expended in devising methods for understanding the mechanisms contrOlling phase transformations at the microscopic level. These efforts have been bolstered through the development of fully ab initio, accurate theoretical models, coupled with the advent of new experimental methods and of powerful supercomputer capabilities.

Download or read book Springer Handbook of Materials Measurement Methods written by Horst Czichos and published by Springer Science & Business Media. This book was released on 2007-04-13 with total page 1215 pages. Available in PDF, EPUB and Kindle. Book excerpt: This Handbook compiles advanced methods for materials measurement and characterization from the macroscopic to the nano-scale. Materials professionals need not only handbooks of materials data but clear guidelines and standards for how to measure the full spectrum of materials characteristics of new materials ans systems. Since materials science forms a bridge between the more traditonal fields of physics, engineering, and chemistry, unifying the varying perspectives and covering the full gamut of properties also serves a useful purpose. This handbook is the first dedicated to these practical and important considerations.

Download or read book Shape Memory Alloys Handbook written by Christian Lexcellent and published by John Wiley & Sons. This book was released on 2013-04-08 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to understand and describe the martensitic phase transformation and the process of martensite platelet reorientation. These two key elements enable the author to introduce the main features associated with the behavior of shape-memory alloys (SMAs), i.e. the one-way shape-memory effect, pseudo-elasticity, training and recovery. Attention is paid in particular to the thermodynamical frame for solid materials modeling at the macroscopic scale and its applications, as well as to the particular use of such alloys – the simplified calculations for the bending of bars and their torsion. Other chapters are devoted to key topics such as the use of the “crystallographical theory of martensite” for SMA modeling, phenomenological and statistical investigations of SMAs, magneto-thermo-mechanical behavior of magnetic SMAs and the fracture mechanics of SMAs. Case studies are provided on the dimensioning of SMA elements offering the reader an additional useful framework on the subject. Contents 1. Some General Points about SMAs. 2. The World of Shape-memory Alloys. 3. Martensitic Transformation. 4. Thermodynamic Framework for the Modeling of Solid Materials. 5. Use of the “CTM” to Model SMAs. 6. Phenomenological and Statistical Approaches for SMAs. 7. Macroscopic Models with Internal Variables. 8. Design of SMA Elements: Case Studies. 9. Behavior of Magnetic SMAs. 10. Fracture Mechanics of SMAs. 11. General Conclusion. Appendix 1. Intrinsic Properties of Rotation Matrices. Appendix 2. “Twinning Equation” Demonstration. Appendix 3. Calculation of the Parameters a, n and Q from the “Twinning” Equation. Appendix 4. “Twinned” Austenite/Martensite Equation. About the Authors Christian Lexcellent is Emeritus Professor at the École National Supérieure de Mécanique et des Microtechniques de Besançon and a researcher in the Department of Applied Mechanics at FEMTO-ST in France. He is a specialist in the mechanics of materials and phase transition and has taught in the subjects of mechanics of continuum media and shape memory alloys. He is also a member of the International Committee of ESOMAT.

Download or read book Data Mining and Intermetallic Property Prediction written by David J. Fisher and published by Materials Research Forum LLC. This book was released on 2022-08-05 with total page 112 pages. Available in PDF, EPUB and Kindle. Book excerpt: Using a computer-aided data mining approach and available experimental data bases, the author discusses the prediction of the structures and properties of intermetallic alloy compounds. The book references 252 original resources with their direct web links for in-depth reading. Keywords: Data-Mining, Intermetallic Compounds, Structure-Mapping, Clustering Methods, Free Energy, Energy Landscapes of Compounds, Stable Groupings of Atoms, Intermetallic Phases, Crystal Unit Cell Size, Platonic Solids, Symmetries, Stoichiometries, Stability Fields.

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 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.