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(This book is a printed edition of the Special Issue "First-Principles Approaches to Metals, Alloys, and Metallic Compounds" that was published in Metals
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:
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.
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).
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.
One of the key aspects of this volume is to cut across the traditional taxonomy of disciplines in the study of alloys. Hence there has been a deliberate attempt to integrate the different approaches taken towards alloys as a class of materials in different fields, ranging from geology to metallurgical engineering. The emphasis of this book is to highlight commonalities between different fields with respect to how alloys are studied. 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 Considerations, Ordering, Kinetics and Diffusion, Magnetic Considerations and Elastic Considerations. The book has juxtaposed apparently disparate approaches to similar physical processes, in the hope of revealing a more dynamic character of the processes under consideration. This monograph 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.
This book contains the Proceedings of the 13th World Conference on Titanium.
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.