First-principles Calculations of Thermodynamic Properties and Phase Diagrams of Binary Substitutional Alloys
Author: Mark David Asta
Publisher:
Published: 1993
Total Pages: 526
ISBN-13:
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CALPHAD and Alloy Thermodynamics
Author: Patrice E. A. Turchi
Publisher: Minerals, Metals, & Materials Society
Published: 2002
Total Pages: 302
ISBN-13:
DOWNLOAD EBOOKThese 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.
The First-principles Calculation of the Gound State and Thermodynamic Properties of Alloys
Author: John Mikalopas
Publisher:
Published: 1993
Total Pages: 478
ISBN-13:
DOWNLOAD EBOOKComputational Thermodynamics of Materials
Author: Zi-Kui Liu
Publisher: Cambridge University Press
Published: 2016-06-30
Total Pages: 261
ISBN-13: 0521198968
DOWNLOAD EBOOKIntegrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.
Computational Thermodynamics
Author: H. L. Lukas
Publisher:
Published: 2007-07-12
Total Pages: 342
ISBN-13:
DOWNLOAD EBOOKPhase 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.
Vibrational Properties of Solids
Author: Gideon Gilat
Publisher: Elsevier
Published: 2012-12-02
Total Pages: 445
ISBN-13: 032315008X
DOWNLOAD EBOOKMethods 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.
Alloy Modeling & Design
Author: G. M. Stocks
Publisher: Minerals, Metals, & Materials Society
Published: 1994
Total Pages: 346
ISBN-13:
DOWNLOAD EBOOKThis 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.
Advances in Research and Applications
Author:
Publisher: Academic Press
Published: 1994-11-07
Total Pages: 513
ISBN-13: 0080865119
DOWNLOAD EBOOKThe 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.
Phonons: Theory and Experiments I
Author: Peter Brüesch
Publisher: Springer Science & Business Media
Published: 2012-12-06
Total Pages: 273
ISBN-13: 3642817815
DOWNLOAD EBOOKThis 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.
Phase Equilibria, Phase Diagrams and Phase Transformations
Author: Mats Hillert
Publisher: Cambridge University Press
Published: 2007-11-22
Total Pages: 525
ISBN-13: 1139465864
DOWNLOAD EBOOKComputational 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.
