Download or read book The First principles Calculation of the Gound State and Thermodynamic Properties of Alloys written by John Mikalopas and published by . This book was released on 1993 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book First principles Calculations of Thermodynamic Properties and Phase Diagrams of Binary Substitutional Alloys written by Mark David Asta and published by . This book was released on 1993 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book First Principles Prediction of Structures and Properties in Crystals written by Dominik Kurzydlowsk and published by MDPI. This book was released on 2019-10-25 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Handbook of Crystal Structures and Magnetic Properties of Rare Earth Intermetallics written by Andrej Szytula and published by CRC Press. This book was released on 1994-03-08 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Statics and Dynamics of Alloy Phase Transformations written by Patrice E. A. Turchi and published by Springer Science & Business Media. This book was released on 1994 with total page 764 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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:
Download or read book Properties of Complex Inorganic Solids 2 written by Annemarie Meike and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Physics of Magnetism and Magnetic Materials written by K.H.J Buschow and published by Springer Science & Business Media. This book was released on 2007-05-08 with total page 175 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Metallic Alloys Experimental and Theoretical Perspectives written by J.S. Faulkner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Enthalpies in Alloys written by H. Bakker and published by Trans Tech Publications Ltd. This book was released on 1997-12-01 with total page 89 pages. Available in PDF, EPUB and Kindle. Book excerpt: Miedema’s Semi-Empirical Model
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 Modeling and Experimental Characterization of Nanocomposite Materials written by Homayoun Hadavinia and published by MDPI. This book was released on 2020-04-15 with total page 130 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Multiscale Modeling written by Pedro Derosa and published by CRC Press. This book was released on 2010-12-09 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: While the relevant features and properties of nanosystems necessarily depend on nanoscopic details, their performance resides in the macroscopic world. To rationally develop and accurately predict performance of these systems we must tackle problems where multiple length and time scales are coupled. Rather than forcing a single modeling approach to
Download or read book Computational Design of Engineering Materials written by Yong Du and published by Cambridge University Press. This book was released on 2023-04-30 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presenting the fundamentals, key multiscale methods, and case studies for computational design of engineering materials.
Download or read book Advanced Research in Material Science and Mechanical Engineering written by He Rui and published by Trans Tech Publications Ltd. This book was released on 2013-11-08 with total page 1683 pages. Available in PDF, EPUB and Kindle. Book excerpt: Selected, peer reviewed papers from the 2013 2nd International Conference on Mechanics and Control Engineering (ICMCE 2013), September 1-2, 2013, Beijing, China
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.
Download or read book Alloy Physics written by Wolfgang Pfeiler and published by John Wiley & Sons. This book was released on 2008-01-08 with total page 1003 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering the latest research in alloy physics together with the underlying basic principles, this comprehensive book provides a sound understanding of the structural changes in metals and alloys -- ranging from plastic deformation, deformation dynamics and ordering kinetics right up to atom jump processes, first principle calculations and simulation techniques. Alongside fundamental topics, such as crystal defects, phase transformations and statistical thermodynamics, the team of international authors treats such hot areas as nano-size effects, interfaces, and spintronics, as well as technical applications of modern alloys, like data storage and recording, and the possibilities offered by materials design.
Download or read book NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species written by Bonnie J. McBride and published by . This book was released on 2002 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt:
