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Author: Patrice E.A. Turchi
Publisher: Springer Science & Business Media
ISBN: 1461524768
Category : Science
Languages : en
Pages : 725
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Book Description
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.
Author: Patrice E.A. Turchi
Publisher: Springer Science & Business Media
ISBN: 1461524768
Category : Science
Languages : en
Pages : 725
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Book Description
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.
Author: Patrice E. A. Turchi
Publisher: Springer Science & Business Media
ISBN: 9780306446269
Category : Science
Languages : en
Pages : 764
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Book Description
The proceedings of the NATO Advanced Study Institute on title], held in Rhodes, Greece, June-July 1992, comprise invited and contributed papers that focus on recent experimental, theoretical, and computational developments in the study of phase alloy transformations. The coverage is in three parts:
Author: David A. Porter
Publisher:
ISBN: 9787519283193
Category : Phase rule and equilibrium
Languages : zh-CN
Pages : 520
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Book Description
Author: Renata M. Wentzcovitch
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 150150844X
Category : Science
Languages : en
Pages : 504
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Book Description
Volume 71 of Reviews in Mineralogy and Geochemistry represents an extensive review of the material presented by the invited speakers at a short course on Theoretical and Computational Methods in Mineral Physics held prior (December 10-12, 2009) to the Annual fall meeting of the American Geophysical Union in San Francisco, California. The meeting was held at the Doubletree Hotel & Executive Meeting Center in Berkeley, California. Contents: Density functional theory of electronic structure: a short course for mineralogists and geophysicists The Minnesota density functionals and their applications to problems in mineralogy and geochemistry Density-functional perturbation theory for quasi-harmonic calculations Thermodynamic properties and phase relations in mantle minerals investigated by first principles quasiharmonic theory First principles quasiharmonic thermoelasticity of mantle minerals An overview of quantum Monte Carlo methods Quantum Monte Carlo studies of transition metal oxides Accurate and efficient calculations on strongly correlated minerals with the LDA+U method: review and perspectives Spin-state crossover of iron in lower-mantle minerals: results of DFT+U investigations Simulating diffusion Modeling dislocations and plasticity of deep earth materials Theoretical methods for calculating the lattice thermal conductivity of minerals Evolutionary crystal structure prediction as a method for the discovery of minerals and materials Multi-Mbar phase transitions in minerals Computer simulations on phase transitions in ice Iron at Earth’s core conditions from first principles calculations First-principles molecular dynamics simulations of silicate melts: structural and dynamical properties Lattice dynamics from force-fields as a technique for mineral physics An efficient cluster expansion method for binary solid solutions: application to the halite-silvite, NaCl-KCl, system Large scale simulations Thermodynamics of the Earth’s mantle
Author:
Publisher: Academic Press
ISBN: 0080865119
Category : Science
Languages : en
Pages : 513
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Book Description
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.
Author:
Publisher:
ISBN:
Category : Aeronautics
Languages : en
Pages : 584
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Book Description
Author: Werner Schweika
Publisher: Springer Science & Business Media
ISBN: 9783540634454
Category : Science
Languages : en
Pages : 144
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Book Description
This monograph reviews the subject of structural disorder in alloys and describes how structural information can be exploited to build sound theoretical descriptions in terms of modified Ising models. Scattering with thermal neutrons and x-rays prove to be complementary approaches to measure the weak diffuse scattering which provides detailed information about the disorder. The authors show how Monte Carlo methods are applied to determine the most realistic effective interactions among the alloying atoms. These results can be used as a benchmark for modern electronic structure calculations. Of more general interest, the limitations of scattering experiments in a determination of an interaction model, and thus also of the structure itself are discussed. Finally, simulations exhibit not only near-surface disordering due to frustration effects but also new possible surface - induced ordering phenomena. Accurate Monte Carlo simulations are used to test existing theories of wetting.
Author: N. Saunders
Publisher: Elsevier
ISBN: 0080528430
Category : Technology & Engineering
Languages : en
Pages : 497
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Book Description
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: Rob Phillips
Publisher: Cambridge University Press
ISBN: 0521790050
Category : Mathematics
Languages : en
Pages : 807
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Book Description
Examines the advances made in the field in recent years and looks at the various methods now used; ideal for graduate students and researchers.
Author: J.S. Faulkner
Publisher: Springer Science & Business Media
ISBN: 9401110921
Category : Science
Languages : en
Pages : 461
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Book Description
The development of new materials is recognized as one of the major elements in the overall technological evolution that must go on in order to sustain and even improve the quality of life for citizens of all nations. There are many components to this development, but one is to achieve a better understanding of the properties of materials using the most sophisticated scientific tools that are available. As condensed matter physicists and materials scientists work toward this goal, they find that it is useful to divide their efforts and focus on specific areas, because certain analytical and theoretical techniques will be more useful for the study of one class of materials than another. One such area is the study of metals and metallic alloys, which are used in the manufacture of products as diverse as automobiles and space stations. Progress in this area has been very rapid in recent years, and the new developments come from many different countries. For these reasons the Advanced Research Workshop Programme in the NATO Scientific Affairs Division has seen fit to sponsor several meetings to bring together the researchers and students working in this field from the NATO countries and elsewhere. There have been a series of NATO-ASI's that have dealt with the results of research on the electronic structure of materials and the properties of metals, alloys, and interfaces. They are: "Electrons in finite and infinite structures" P. Phariseau and L.
