Download or read book First Principles Approaches to Metals Alloys and Metallic Compounds written by Richard Dronskowski and published by MDPI. This book was released on 2018-11-26 with total page 181 pages. Available in PDF, EPUB and Kindle. Book excerpt: (This book is a printed edition of the Special Issue "First-Principles Approaches to Metals, Alloys, and Metallic Compounds" that was published in Metals
Download or read book First Principles Approaches to Metals Alloys and Metallic Compounds written by Richard Dronskowski and published by . This book was released on 2018 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Special Issue First Principles Approaches to Metals Alloys and Metallic Compounds written by Richard Dronskowski and published by . This book was released on 2017 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 2012-12-06 with total page 725 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Metal and Alloy Bonding An Experimental Analysis written by R. Saravanan and published by Springer Science & Business Media. This book was released on 2011-09-20 with total page 165 pages. Available in PDF, EPUB and Kindle. Book excerpt: Charge density analysis of materials provides a firm basis for the evaluation of the properties of materials. The design and engineering of a new combination of metals requires a firm knowledge of intermolecular features. Recent advances in technology and high-speed computation have made the crystal X-ray diffraction technique a unique tool for the determination of charge density distribution in molecular crystal. Methods have been developed to make experimental probes capable of unraveling the features of charge densities in the intra- and inter-molecular regions of crystal structures. In Metal and Alloy Bonding - An Experimental Analysis, the structural details of materials are elucidated with the X-ray diffraction technique. Analyses of the charge density and the local and average structure are given to reveal the structural properties of technologically important materials. Readers will gain a new understanding of the local and average structure of existing materials. The electron density, bonding, and charge transfer studies in Metal and Alloy Bonding - An Experimental Analysis contain useful information for researchers in the fields of physics, chemistry, materials science, and metallurgy. The properties described in these studies can contribute to the successful engineering of these technologically important materials.
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 Physical Metallurgy of Refractory Metals and Alloys written by E. M. Savitskii and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: The principal reasons which induced the authors to write this book and the features of the book are set forth in the preface to the Russian edition. That section of the science of metals which in Russian is called "metallovedenie" or the "physical chemistry of metals" is generally referred to in scientific and technical literature published in the English language by the term "physical metallurgy." These concepts are much broader than the term" metallography," used in the scientific and technical literature of various countries, and applied solely to research on the interrelationships of the structure and proper ties of metals and alloys. Each science must have its own subject and its own method of research. Certainly, all specialists will agree that metals and alloys, including their solid solutions, mechanical mix tures, and metallic compounds, form the subject of "physical metallurgy" or "physical chemis try of metals." The aim of this science. is to produce a theory and to elucidate the experimental relationships which ought finally to make it possible to calculate quantitatively alloys Of given properties for any working conditions and parameters.
Download or read book First principles modeling of metallic alloys and alloy surfaces written by Heikki Pitkänen and published by . This book was released on 2010 with total page 40 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Principles of Inorganic Materials Design written by John N. Lalena and published by John Wiley & Sons. This book was released on 2020-05-27 with total page 720 pages. Available in PDF, EPUB and Kindle. Book excerpt: Learn the fundamentals of materials design with this all-inclusive approach to the basics in the field Study of materials science is an important aspect of curricula at universities worldwide. This text is designed to serve students at a fundamental level, positioning materials design as an essential aspect of the study of electronics, medicine, and energy storage. Now in its 3rd edition, Principles of Inorganic Materials Design is an introduction to relevant topics including inorganic materials structure/property relations and material behaviors. The new edition now includes chapters on computational materials science, intermetallic compounds, and covalent compounds. The text is meant to aid students in their studies by providing additional tools to study the key concepts and understand recent developments in materials research. In addition to the many topics covered, the textbook includes: • Accessible learning tools to help students better understand key concepts • Updated content including case studies and new information on computational materials science • Practical end-of-chapter exercises to assist students with the learning of the material • Short biographies introducing pioneers in the field of inorganic materials science For undergraduates just learning the material or professionals looking to brush up on their knowledge of current materials design information, this text covers a wide range of concepts, research, and topics to help round out their education. The foreword to the first edition was written by the 2019 Chemistry Nobel laureate Prof. John B. Goodenough.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Methods in Solid State Physics written by V V Nemoshkalenko and published by CRC Press. This book was released on 1999-02-19 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: The combination of theoretical physics methods, numerical mathematics and computers has given rise to a new field of physics known as "computational physics." The purpose of this monograph is to present the various methods of computational physics, in particular the methods of band theory. The first chapter of the book provides an introduction to the field and presents the theoretical foundations of band theory. In the second and third chapters the authors describe both traditional and more modern methods of band theory and include practical recommendations for their use. Methods which are discussed include APW (augmented plane wave), Green's function method, LMTO (linear method of MT- orbitals), LKKR (linear Korringer, Kohn and Rostocker method), LAPW (linear augmented plane wave), ASW (augmented spherical waves), and LASO (linear method of augmented Slater orbitals). Great attention is paid to the practical aspects of these theories and the book is structured in such a way as to enable the reader to use any method in practice without reference to other sources.
Download or read book Transition Metal Compounds written by Sajjad Haider and published by BoD – Books on Demand. This book was released on 2021-06-09 with total page 121 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores synthesis, structural changes, properties, and potential applications of transition metal (TM) compounds. Over three sections, chapters cover such topics as the synthesis of pentoxide vanadium (V2O5), the effect of TM compounds on structural, dielectric properties and high-temperature superconductors, and TM-doped nanocrystals (NCs).
Download or read book Alloy Phase Stability written by G.M. Stocks and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 638 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the ultimate goals of materials research is to develop a fun damental and predictive understanding of the physical and metallurgical properties of metals and alloys. Such an understanding can then be used in the design of materials having novel properties or combinations of proper ties designed to meet specific engineering applications. The development of new and useful alloy systems and the elucidation of their properties are the domain of metallurgy. Traditionally, the search for new alloy systems has been conducted largely on a trial and error basis, guided by the skill and intuition of the metallurgist, large volumes of experimental data, the principles of 19th century thermodynamics and ad hoc semi-phenomenological models. Recently, the situation has begun to change. For the first time, it is possible to understand the underlying mechanisms that control the formation of alloys and determine their properties. Today theory can begin to offer guidance in predicting the properties of alloys and in developing new alloy systems. Historically, attempts directed toward understanding phase stability and phase transitions have proceeded along distinct and seemingly diverse lines. Roughly, we can divide these approaches into the following broad categories. 1. Experimental determination of phase diagrams and related properties, 2. Thermodynamic/statistical mechanical approaches based on semi phenomenological models, and 3. Ab initio quantum mechanical methods. Metallurgists have traditionally concentrated their efforts in cate gories 1 and 2, while theoretical physicists have been preoccupied with 2 and 3.
Download or read book Memorabilia Jacques A Danon written by R. B. Scorzelli and published by Atlantica Séguier Frontières. This book was released on 1997 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Proceedings of the 13th World Conference on Titanium written by Vasisht Venkatesh and published by John Wiley & Sons. This book was released on 2016-04-26 with total page 2004 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains the Proceedings of the 13th World Conference on Titanium.
Download or read book Scattering of Thermal Neutrons written by Andre Larose and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solid state physicists have long appreciated the usefulness of thermal neutron scattering in the inves tigation of condensed matter. This technique was first made possible by the advent of the nuclear reac tor and has, since then, undergone many refinements. The developments in this field of research have, we felt, necessitated the making of a comprehensive compilation of the published thermal neutron papers. The large number of titles collected in this book, as well as their diversity and their yearly distribution, reflects the continued contribution of the neutron probe to our understanding of physical systems. This bibliography is an updated and improved version of the one first published by us in March of 1973 under a similar title. Many of the omissions and inconsistencies of the first edition, such as occurred, for example, in the initialing of authors' names, have been corrected. The literature search has been carried back to 1932, the year when the existence of the neutron was experimentally confirmed. Several additional journals have also been searched and brought up to date together with those listed in our first publication. The number of entries is now 8543, an increase of 65 per cent relative to the first edition.
Download or read book Metallic Alloys and Mixtures written by William H. Dresher and published by . This book was released on 1997 with total page 48 pages. Available in PDF, EPUB and Kindle. Book excerpt:
