Download or read book Modelling Thermodynamics of Alloys for Fusion Application Semi Annual Report for the Fusion Program written by and published by . This book was released on 2007 with total page 10 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Modelling Thermodynamics of Alloys for Fusion Application written by D. Crowson and published by . This book was released on 2006 with total page 9 pages. Available in PDF, EPUB and Kindle. Book excerpt: This research has two main objectives: (1) On one side is the development of computational tools to evaluate alloy properties, using the information contained in thermodynamic functions to improve the ability of classic potentials to account for complex alloy behavior. (2) On the other hand, to apply the tools so developed to predict properties of alloys under irradiation. Atomistic simulations of alloys at the empirical level face the challenge of correctly modeling basic thermodynamic properties. In this work we develop a methodology to generalize many-body classic potentials to incorporate complex formation energy curves. Application to Fe-Cr allows us to predict the implications of the ab initio results of formation energy on the phase diagram of this alloy.

Download or read book Modelling Thermodynamics of Alloys for Fusion Application written by and published by . This book was released on 2009 with total page 7 pages. Available in PDF, EPUB and Kindle. Book excerpt: This research has two main objectives: (1) The development of computational tools to evaluate alloy properties, using the information contained in thermodynamic functions. We aim at improving the ability of classical potentials to account for complex alloy behavior, and (2) The application of these tools to predict properties of alloys under irradiation, in particular the FeCr system. This semester has been very productive in the developments of both tools and algorithms. Our work aims at developing theoretical and numerical methodologies that are directly applicable to multi-scale modeling addressing the specific issues related to multi-component, multi-phase systems in non-equilibrium states, such as solid-solution hardening, point defect-solute interactions, stoichiometry effects, static and dynamic strain aging, dislocation-solute interactions, and in general the aspects of microstructure evolution that are affected by irradiation. At its present stage of development, we have been able to predict numerous thermodynamic properties of FeCr mainly related to ordering and precipitation; we have found new intermetallic phases and suggested the existence of a dependence of the solubility limit on the degree of order of the alloy. At present, we are studying dislocation mobility in the solid solution and the heterogeneous phase, and we are developing a new algorithm to perform Monte Carlo simulations inside the miscibility gap, a technique that will allow us to study interfacial energies and nucleation sizes. We develop a strategy to model radiation damage in FeCr alloys, system in which magnetism introduces an anomaly in the heat of formation of the solid solution that is at the basis of its unique behavior. Magnetism has implications for the precipitation of excess Cr in the a phase in the presence of heterogeneities. These complexities pose many challenges for atomistic (empirical) methods. To address such issues we develop a modified, many-body potential by rigorously fitting thermodynamic properties, including free energy. Multi-million atom displacement Monte Carlo simulations in the transmutation ensemble, using both our new potential and our new MC code, are able to predict properties of non equilibrium processes like heterogeneous precipitation, and dislocation - precipitate interactions, enabling the study of hardening and embrittlement under irradiation.

Download or read book Recommended Values of Thermophysical Properties for Selected Commercial Alloys written by K C Mills and published by Woodhead Publishing. This book was released on 2002-04-22 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: The work contained in this report was carried out as part of the National Physical Laboratory's MTS Programme on Processability, the purpose of which was to provide engineers with the best possible data on commercially available alloys to help with the mathematical modelling of processes such as casting and refining. Mathematical modelling has become an increasingly useful tool in improving process control and efficiency and product quality. Models have been developed to the stage where one of the prime requirements is for accurate and reliable data for the thermophysical properties involved in the heating and fluid flow processes. There is very little available data in the standard literature on commercial alloys so this report fulfills a real need for all those involved in modelling processes with commercially available alloys by providing valuable data relating to: Fraction solid Melting range Heat capacity Enthalpy Thermal diffusivity and conductivity Emissivity density Viscosity Surface tension The book also provides a model for assessing the properties of alloys not covered individually in the work by reference to their chemical composition. Recommended values of thermophysical properties for selected commercial alloys is an important new data source for all metals refiners, metallurgists, materials scientists and engineers needing to understand the thermophysical properties of alloys for casting, primary or secondary refining. Provides critically assessed data for thermophysical properties of widely used commercial alloys Essential information for the development and mathematical modelling of processes such as casting and refining Contains valuable and unique data developed from testing programmes carried out at the National Physical Laboratory, UK

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.

Download or read book Structural Alloys for Nuclear Energy Applications written by Robert Odette and published by Newnes. This book was released on 2019-08-15 with total page 673 pages. Available in PDF, EPUB and Kindle. Book excerpt: High-performance alloys that can withstand operation in hazardous nuclear environments are critical to presentday in-service reactor support and maintenance and are foundational for reactor concepts of the future. With commercial nuclear energy vendors and operators facing the retirement of staff during the coming decades, much of the scholarly knowledge of nuclear materials pursuant to appropriate, impactful, and safe usage is at risk. Led by the multi-award winning editorial team of G. Robert Odette (UCSB) and Steven J. Zinkle (UTK/ORNL) and with contributions from leaders of each alloy discipline, Structural Alloys for Nuclear Energy Applications aids the next generation of researchers and industry staff developing and maintaining steels, nickel-base alloys, zirconium alloys, and other structural alloys in nuclear energy applications. This authoritative reference is a critical acquisition for institutions and individuals seeking state-of-the-art knowledge aided by the editors’ unique personal insight from decades of frontline research, engineering and management. Focuses on in-service irradiation, thermal, mechanical, and chemical performance capabilities. Covers the use of steels and other structural alloys in current fission technology, leading edge Generation-IV fission reactors, and future fusion power reactors. Provides a critical and comprehensive review of the state-of-the-art experimental knowledge base of reactor materials, for applications ranging from engineering safety and lifetime assessments to supporting the development of advanced computational models.

Download or read book The Use of Computerized Thermodynamics Databases for Solidification Modeling of Fusion Welds in Multi Component Alloys written by and published by . This book was released on 1999 with total page 11 pages. Available in PDF, EPUB and Kindle. Book excerpt: Most engineering alloys contain numerous alloying elements and their solidification behavior can not typically be modeled with existing binary and ternary phase diagrams. There has recently been considerable progress in the development of thermodynamic software programs for calculating solidification parameters and phase diagrams of multi-component systems. These routines can potentially provide useful input data that are needed in multi-component solidification models. However, these thermodynamic routines require validation before they can be confidently applied to simulations of alloys over a wide range of composition. In this article, a preliminary assessment of the accuracy of the Thermo-Calc NiFe Superalloy database is presented. The database validation is conducted by comparing calculated phase diagram quantities to experimental measurements available in the literature. Comparisons are provided in terms of calculated and measured liquidus and solidus temperatures and slopes, equilibrium distribution coefficients, and multi-component phase diagrams. Reasonable agreement is observed among the comparisons made to date. Examples are provided which illustrate how the database can be used to approximate the solidification sequence and final segregation patterns in multi-component alloys. An additional example of the coupling of calculated phase diagrams to solute redistribution computations in a commercial eight component Ni base superalloy is also presented.

Download or read book Alloys and Intermetallic Compounds written by Cristina Artini and published by CRC Press. This book was released on 2017-07-12 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the role of modeling in the design of alloys and intermetallic compounds. It includes an introduction to the most important and most used modeling techniques, such as CALPHAD and ab-initio methods, as well as a section devoted to the latest developments in applications of alloys. The book emphasizes the correlation between modeling and technological developments while discussing topics such as wettability of Ultra High Temperature Ceramics by metals, active brazing of diamonds to metals in cutting tools, surface issues in medicine, novel Fe-based superconductors, metallic glasses, high entropy alloys, and thermoelectric materials.

Download or read book Application of Chemical Thermodynamics to the Study of Alloy Formation Progress Report for written by and published by . This book was released on 1954-07 with total page 16 pages. Available in PDF, EPUB and Kindle. Book excerpt:

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 Structural Thermodynamics of Alloys written by J. Manenc and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 222 pages. Available in PDF, EPUB and Kindle. Book excerpt: Technical progress has for a very long time been directly dependent on progress in metallurgy, which is itself connected with improvements in the technology of alloys. Metals are most frequently used in the form of alloys for several reasons: the quantity of pure metal in its native state in the earth's crust is very limited; pure metals must be extracted from ores which are themselves impure. Finally, the methods of treatment used lead more easily to alloys than to pure metals. The most typical case is that of iron, where a pure ore may be found, but which is the starting point for cast iron or steel, alloys of iron and carbon. In addition, the properties of alloys are in general superior to those of pure metals and modem metallurgy consists of controlling these properties so as to make them conform to the requirements of the design office. Whilst the engineer was formerly compelled to adapt his designs and constructions to the materials available, such as wood, stone, bronze, iron, cast iron and ordinary steels, he can now expect, due to metallurgical research, the creation of special alloys meeting specific requirements. These requirements must of course be reasonable, but VIII INTRODUCTION must be sufficiently imperative for them to become the motive for progress.

Download or read book Thermochemistry of Alloys written by H. Brodowsky and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 579 pages. Available in PDF, EPUB and Kindle. Book excerpt: The thermochemistry of alloys has interested generations of scientists and the subject was treated in classical textbooks long ago, e.g. by Hume-Rothery, by Wagner, and by Kubaschewski and Alcock. Nevertheless, the appearance of new materials and the desire to improve traditional materials and metallurgical processes has kept up demand for more information on the thermodynamics of these systems. The advent of computing power has created new opportunities to tie various aspects and properties together, such as phase diagrams and thermodynamic functions, that are in principle thermodynamically inter related but were too cumbersome to work out before. The computer has also been a powerful tool in buUding and testing models that help to explain the underlying causes of non-ideal behavior. At the same time, these calculations have pinpointed areas, where additional and more accurate data are needed. In the laboratory, new methods, improved materials, and sophistica ted instrumentation have gradually changed the way in which experiments are done. Within the time span of perhaps thirty years, the development went from jotting down individual readings of data points to strip chart recording to automatic digital data acquisition. Scholars and students active in the field of "Thermochemistry of Alloys" convened for a NATO Advanced Study Institute at Kiel in August 1987 to discuss these developments. This book collects most of the lectures and seminar papers given at the Institute.

Download or read book Structural and Phase Stability of Alloys written by J. L. Morán-López and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 269 pages. Available in PDF, EPUB and Kindle. Book excerpt: This vohune contains the papers presented at the Adriatico Research Conference on Structural and Phase Stability of Alloys held in Trieste, Italy, in May 1991, under the auspices of the International Centre for Theoretical Physics. The conference brought together participants with a variety of interests in theoretical and experimental aspects of alloys from Argentina, Belgium, Bulgaria, Czechslovakia, France, Germany, Italy, Japan, Mexico, People's Republic of Congo,Portugal, Switzerland, United Kingdom, United States, U. S. S. R. , and Venezuela. The conference was purposely designed to succinctly cover experimental and the oretical aspects of magnetic and non-magnetic alloys, surfaces, thin films and nanos tructures. The Conference opened with an overview of a select class of advanced structural materials, with a potential in engineering applications, for which the con ventional "physics" approach, both theoretical and experimental, should have a sig nificant impact. A number of papers were dedicated to the use of phenomenological approaches for the description of thermodynamic bulk and surface properties. It was clear from these presentations that the phenomenological models and simulations in alloy theory have reached a high degree of sophistication. Although with somewhat limited predictive powers, the phenomenological models provide a valuable tool for the understanding of a variety of subtle phenomena such as short-range order, phase stability, kinetics and the thermodynamics of surfaces and antiphase boundaries, to name a few.

Download or read book Thermodynamic Modeling of Geologic Materials written by Ian S. E. Carmichael and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 17 of Reviews in Mineralogy is based on a short course, entitled "Thermodynamic Modeling of Geological Materials: Minerals, Fluids amd Melts," October 22-25, 1987, at the Wickenburg Inn near Phoenix, Arizona. Contents: Thermodynamic Analysis of Phase Equilibria in Simple Mineral Systems Models of Crystalline solutions Thermodynamics of Multicomponent Systems Containing Several Solid Solutions Thermodynamic Model for Aqueous Solutions of Liquid-like Density Models of Mineral Solubility in Concentrated Brines with Application to Field Observations Calculation of the Thermodynamic Properties of Aqueous Species and the Solubilities of Minerals in Supercritical Electrolyte Solutions Igneous Fluids Ore Fluids: Magmatic to Supergene Thermodynamic Models of Molecular Fluids at the Elevated Pressures and Temperatures of Crustal Metamorphism Mineral Solubilities and Speciation in Supercritical Metamorphic Fluids Development of Models for Multicomponent Melts: Analysis of Synthetic Systems Modeling Magmatic Systems: Thermodynamic Relations Modeling Magmatic Systems: Petrologic Applications

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 Fusion Energy Update written by and published by . This book was released on 1978 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Thermodynamics of Alloy Formation written by Y. Austin Chang and published by Minerals, Metals, & Materials Society. This book was released on 1997 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: State-of-the-art experimental techniques used to obtain information on thermodynamic stabilities of alloy phases are presented and discussed in these proceedings from the 1997 Hume Rothery Symposium. Coverage includes an examination of thermodynamic stability and structure of materials in the amorphous state. Also, experimental information obtained for materials in both the stable and metastable state is used to evaluate the thermodynamic models of alloy phases and to calculate phase diagrams.