The First Principles Calculation Of The Gound State And Thermodynamic Properties Of Alloys
Download The First Principles Calculation Of The Gound State And Thermodynamic Properties Of Alloys full books in PDF, epub, and Kindle. Read online free The First Principles Calculation Of The Gound State And Thermodynamic Properties Of Alloys ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
First-Principles Prediction of Structures and Properties in Crystals
Author | : Dominik Kurzydlowsk |
Publisher | : MDPI |
Total Pages | : 128 |
Release | : 2019-10-25 |
Genre | : Science |
ISBN | : 3039216708 |
The term “first-principles calculations” is a synonym for the numerical determination of the electronic structure of atoms, molecules, clusters, or materials from ‘first principles’, i.e., without any approximations to the underlying quantum-mechanical equations. Although numerous approximate approaches have been developed for small molecular systems since the late 1920s, it was not until the advent of the density functional theory (DFT) in the 1960s that accurate “first-principles” calculations could be conducted for crystalline materials. The rapid development of this method over the past two decades allowed it to evolve from an explanatory to a truly predictive tool. Yet, challenges remain: complex chemical compositions, variable external conditions (such as pressure), defects, or properties that rely on collective excitations—all represent computational and/or methodological bottlenecks. This Special Issue comprises a collection of papers that use DFT to tackle some of these challenges and thus highlight what can (and cannot yet) be achieved using first-principles calculations of crystals.
Handbook of Crystal Structures and Magnetic Properties of Rare Earth Intermetallics
Author | : Andrej Szytula |
Publisher | : CRC Press |
Total Pages | : 294 |
Release | : 1994-03-08 |
Genre | : Science |
ISBN | : 9780849342615 |
Rare-earth intermetallics, also known as lanthanide elements, play an important role in the study of magnetic materials and the development of semi- and super-conducting materials. This handbook provides an up-to-date compilation of crystallographic, physical, and magnetic data on rare-earth intermetallic compounds. Over 20 different structure types are described in detail with an emphasis on how crystal structure can affect magnetic properties. Theoretical models for magnetic interactions are described as well as the impact of crystal electric fields on transport properties, magneto crystalline anistropy and hyperfine interactions. This book provides materials scientists, engineers and physicists with all the critical information needed to use rare-earth intermetallics effectively in the development of new materials.
Statics and Dynamics of Alloy Phase Transformations
Author | : Patrice E. A. Turchi |
Publisher | : Springer Science & Business Media |
Total Pages | : 764 |
Release | : 1994 |
Genre | : Science |
ISBN | : 9780306446269 |
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:
Properties of Complex Inorganic Solids 2
Author | : Annemarie Meike |
Publisher | : Springer Science & Business Media |
Total Pages | : 512 |
Release | : 2012-12-06 |
Genre | : Science |
ISBN | : 1461512050 |
The triennial International Alloy Conferences (lACs) aim at the identification and promotion of the common elements developed in the study, either experimental, phenomenological, or theoretical and computational, of materials properties across materials types, from metals to minerals. To accomplish this goal, the lACs bring together scientists from a wide spectrum of materials science including experiment, theory, modeling, and computation, incorporating a broad range of materials properties. The first lAC, lAC-I, took place in Athens, Greece, June 16-21, 1996. The present volume of proceedings contains the papers presented at IAC-2, that took place in Davos, Switzerland, August 8-13, 1999. The topics in this book fall into several themes, which suggest a number of different classification schemes. We have chosen a scheme that classifies the papers in the volume into the categories Microstructural Properties; Ordering, Kinetics and Diffusion; Magnetic Properties and Elastic Properties. We have juxtaposed apparently disparate of revealing the dynamic character approaches to similar physical processes, in the hope of the processes under consideration. We hope this will invigorate new kinds of discussion and reveal challenges and new avenues to the description and prediction of properties of materials in the solid state and the conditions that produce them.
Metallic Alloys: Experimental and Theoretical Perspectives
Author | : J.S. Faulkner |
Publisher | : Springer Science & Business Media |
Total Pages | : 461 |
Release | : 2012-12-06 |
Genre | : Science |
ISBN | : 9401110921 |
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.
Physics of Magnetism and Magnetic Materials
Author | : K.H.J Buschow |
Publisher | : Springer Science & Business Media |
Total Pages | : 175 |
Release | : 2007-05-08 |
Genre | : Science |
ISBN | : 0306484080 |
In this book, the fundamentals of magnetism are treated, starting at an introductory level. The origin of magnetic moments, the response to an applied magnetic field, and the various interactions giving rise to different types of magnetic ordering in solids are presented and many examples are given. Crystalline-electric-field effects are treated at a level that is sufficient to provide the basic knowledge necessary in understanding the properties of materials in which these effects play a role. Itinerant-electron magnetism is presented on a similar basis. Particular attention has been given to magnetocrystalline magnetic anisotropy and the magnetocaloric effect. Also, the usual techniques for magnetic measurements are presented. About half of the book is devoted to magnetic materials and the properties that make them suitable for numerous applications. The state of the art is presented of permanent magnets, high-density recording materials, soft-magnetic materials, Invar alloys and magnetostrictive materials. Many references are given.
Enthalpies in Alloys
Author | : H. Bakker |
Publisher | : Trans Tech Publications Ltd |
Total Pages | : 89 |
Release | : 1997-12-01 |
Genre | : Technology & Engineering |
ISBN | : 3035705852 |
Miedema’s Semi-Empirical Model
Modeling and Experimental Characterization of Nanocomposite Materials
Author | : Homayoun Hadavinia |
Publisher | : MDPI |
Total Pages | : 130 |
Release | : 2020-04-15 |
Genre | : Technology & Engineering |
ISBN | : 3039286323 |
This Special Issue gathers research from different branches of science and engineering disciplines working on experiments and modelling of nanocomposites into one volume. The Guest Editor welcomes papers dedicated to experimental, computational, and theoretical aspects dealing with many important state-of-the-art technologies and methodologies regarding the synthesis, fabrication, characterization, properties, design, and applications, and both finite element analysis and molecular dynamic simulations, of nanocomposite materials and structures. Full papers covering novel topics, extending the frontiers of the science and technology of nanoreinforced composites are encouraged. Reviews covering topics of major interest will be also considered.