Calphad And Alloy Thermodynamics

Author : Patrice E. A. Turchi
Publisher : Minerals, Metals, & Materials Society
ISBN 13 :
Total Pages : 302 pages
Book Rating : 4.75/5 ( download)

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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.

Author : N. Saunders
Publisher : Elsevier
ISBN 13 : 0080528430
Total Pages : 497 pages
Book Rating : 4.34/5 ( download)

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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.

Author : Hans Lukas
Publisher :
ISBN 13 :
Total Pages : 342 pages
Book Rating : 4.31/5 ( download)

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Download or read book Computational Thermodynamics written by Hans 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.

Author : Zi-Kui Liu
Publisher : Cambridge University Press
ISBN 13 : 0521198968
Total Pages : 261 pages
Book Rating : 4.67/5 ( download)

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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.

Author : Larry Kaufman
Publisher :
ISBN 13 :
Total Pages : 362 pages
Book Rating : 4.17/5 ( download)

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Download or read book Computer Calculation of Phase Diagrams with Special Reference to Refractory Metals written by Larry Kaufman and published by . This book was released on 1970 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : N.A. Gokcen
Publisher : Springer Science & Business Media
ISBN 13 : 1468450530
Total Pages : 330 pages
Book Rating : 4.38/5 ( download)

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Download or read book Statistical Thermodynamics of Alloys written by N.A. Gokcen and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is intended for scientists, researchers, and graduate students interested in solutions in general, and solutions of metals in particular. Readers are assumed to have a good background in thermodynamics, presented in such books as those cited at the end of Chapter 1, "Thermo dynamic Background." The contents of the book are limited to the solutions of metals + metals, and metals + metalloids, but the results are also appli cable to numerous other types of solutions encountered by metallurgists, materials scientists, geologists, ceramists, and chemists. Attempts have been made to cover each topic in depth with numerical examples whenever necessary. Chapter 2 presents phase equilibria and phase diagrams as related to the thermodynamics of solutions. The emphasis is on the binary diagrams since the ternary diagrams can be understood in terms of the binary diagrams coupled with the phase rule, and the Gibbs energies of mixing. The cal culation of thermodynamic properties from the phase diagrams is not emphasized because such a procedure generally yields mediocre results. Nevertheless, the reader can readily obtain thermodynamic data from phase diagrams by reversing the detailed process of calculation of phase diagrams from thermodynamic data. Empirical rules on phase stability are given in this chapter for a brief and clear understanding of the physical and atomistic factors underlying the alloy phase formation.

Author : A. R. Miedema
Publisher : Elsevier
ISBN 13 : 1483278018
Total Pages : 142 pages
Book Rating : 4.18/5 ( download)

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Download or read book Proceedings of the International Symposium on Thermodynamics of Alloys written by A. R. Miedema and published by Elsevier. This book was released on 2016-06-03 with total page 142 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the International Symposium on Thermodynamics of Alloys

Author : Horst Czichos
Publisher : Springer Science & Business Media
ISBN 13 : 3540303006
Total Pages : 1215 pages
Book Rating : 4.08/5 ( download)

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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.

Author : K Hack
Publisher : Elsevier
ISBN 13 : 1845693957
Total Pages : 489 pages
Book Rating : 4.54/5 ( download)

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Download or read book The SGTE Casebook written by K Hack and published by Elsevier. This book was released on 2008-01-25 with total page 489 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Scientific Group Thermodata Europe (SGTE) is a consortium of European and North American research groups developing thermodynamic databases and software to model the thermodynamic properties of metals and other materials. Understanding these properties is critical to improving the processing of metals and their performance in such areas as resistance to high-temperature corrosion. This substantially revised new edition explores both the theoretical background to thermodynamic modelling and its wide range of practical applications. These applications include the analysis of hot salt and other types of high-temperature corrosion, understanding the loss of corrosion resistance in stainless and other types of steel, the processing of steels, as well as the use of thermodynamics to improve the functionality of materials for microelectronics and lighting applications, and in the analysis of nuclear safety issues. New case studies also illustrate applications to kinetically-controlled processes such as the solidification and heat treatment of alloys as well as the production of silicon and titanium oxide pigment. The SGTE casebook is a valuable reference for those manufacturing steels and other materials, those using materials in high-temperature applications such as the power industry and in other areas such as microelectronics and lighting. This updated and revised edition explores theoretical background to thermodynamic modelling Practical applications are provided, including types of high-temperature corrosion Valuable reference for the power and microelectronics industry

Author : Geraldine Anis
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.54/5 ( download)

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Download or read book A Computational Study of CoCrFeNiTi High Entropy Alloys written by Geraldine Anis and published by . This book was released on 2021 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: High entropy alloys (HEAs) are multi-component alloys, which are often defined as those consisting of at least 5 principal elements with concentrations ranging between 5 and 35 atomic weight percent (at.%). Since their introduction by Yeh et al. and Cantor et al. in 2004, HEAs have been found to possess many important properties and have become prime candidates for several high-performance applications such as high-temperature and biomedical applications. Despite their multi-principal element nature, many HEAs favor the formation of solid solution phases as opposed to the intermetallic phases expected for such systems. This was originally only attributed to their high configurational entropy. However, as more studies emerged, it became evident that the stabilization of solid solution phases in HEAs is contingent on many interdependent factors in addition to configurational entropy. One of the main obstacles that hinder HEA research is the vast compositional space available for a given HEA system, especially when non-equiatomic compositions are considered. For that reason, computational methods such as the calculation of phase diagrams (CALPHAD) have become central to the HEA field as they allow the efficient exploration of this massive search space. In the present work, a systematic framework for pinpointing single-phase HEAs and studying their properties from first principles was developed. First, the CALPHAD method was used to construct extensive phase diagrams of four CoCrFeNiTi sub-systems, namely CoxCrFeNiTi2-x, CoCrxFeNiTi2-x, CoCrFexNiTi2-x, and CoCrFeNixTi2-x. CALPHAD was also used to calculate several thermodynamic quantities, including the mixing enthalpies and entropies of the alloys, which were related to the phase stabilities obtained in the phase diagrams. In all our analyses, a special focus was placed on the single face-centered cubic (FCC) solid solution phase and the different factors that underly its stabilization. From the generated phase diagrams, an alloy with the composition CoCrFeNi1.75Ti0.25 and single-phase FCC structure was selected for a computational characterization of its mechanical properties. A special quasirandom structure (SQS), which facilitates the modeling of random alloys, was used for studying the CoCrFeNi1.75Ti0.25 alloy. An 80-atom 5x2x2 FCC supercell was generated, and first principles density functional theory (DFT) calculations were used to determine its mechanical properties. Computational tensile stress-strain diagrams were computed for the alloy SQS as well as its individual constituent elements their ideal tensile strengths were determined. An analysis of the alloy and element elastic constants was also carried out using DFT. The determined elastic constants were used to calculate the bulk, shear, and Young's modulus as well as the Poisson's ratio. The calculated element properties were compared to available experimental data and were used to benchmark the methods and analysis techniques employed. The calculated properties of the alloy SQS were compared to their corresponding weighted elemental averages. The coupled CALPHAD-DFT approach adopted in this work provides a methodical study of the phase stabilities and mechanical properties of non-equiatomic CoCrFeNiTi HEAs. The developed framework can also be extended to other HEA systems.