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Author: Werner Schweika
Publisher: Springer Science & Business Media
ISBN: 9783540634454
Category : Science
Languages : en
Pages : 144
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Book Description
This monograph reviews the subject of structural disorder in alloys and describes how structural information can be exploited to build sound theoretical descriptions in terms of modified Ising models. Scattering with thermal neutrons and x-rays prove to be complementary approaches to measure the weak diffuse scattering which provides detailed information about the disorder. The authors show how Monte Carlo methods are applied to determine the most realistic effective interactions among the alloying atoms. These results can be used as a benchmark for modern electronic structure calculations. Of more general interest, the limitations of scattering experiments in a determination of an interaction model, and thus also of the structure itself are discussed. Finally, simulations exhibit not only near-surface disordering due to frustration effects but also new possible surface - induced ordering phenomena. Accurate Monte Carlo simulations are used to test existing theories of wetting.
Author: Werner Schweika
Publisher: Springer Science & Business Media
ISBN: 9783540634454
Category : Science
Languages : en
Pages : 144
Get Book Here
Book Description
This monograph reviews the subject of structural disorder in alloys and describes how structural information can be exploited to build sound theoretical descriptions in terms of modified Ising models. Scattering with thermal neutrons and x-rays prove to be complementary approaches to measure the weak diffuse scattering which provides detailed information about the disorder. The authors show how Monte Carlo methods are applied to determine the most realistic effective interactions among the alloying atoms. These results can be used as a benchmark for modern electronic structure calculations. Of more general interest, the limitations of scattering experiments in a determination of an interaction model, and thus also of the structure itself are discussed. Finally, simulations exhibit not only near-surface disordering due to frustration effects but also new possible surface - induced ordering phenomena. Accurate Monte Carlo simulations are used to test existing theories of wetting.
Author: Ilja Turek
Publisher: Springer Science & Business Media
ISBN: 1461562554
Category : Science
Languages : en
Pages : 327
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Book Description
At present, there is an increasing interest in the prediction of properties of classical and new materials such as substitutional alloys, their surfaces, and metallic or semiconductor multilayers. A detailed understanding based on a thus of the utmost importance for fu microscopic, parameter-free approach is ture developments in solid state physics and materials science. The interrela tion between electronic and structural properties at surfaces plays a key role for a microscopic understanding of phenomena as diverse as catalysis, corrosion, chemisorption and crystal growth. Remarkable progress has been made in the past 10-15 years in the understand ing of behavior of ideal crystals and their surfaces by relating their properties to the underlying electronic structure as determined from the first principles. Similar studies of complex systems like imperfect surfaces, interfaces, and mul tilayered structures seem to be accessible by now. Conventional band-structure methods, however, are of limited use because they require an excessive number of atoms per elementary cell, and are not able to account fully for e.g. substitu tional disorder and the true semiinfinite geometry of surfaces. Such problems can be solved more appropriately by Green function techniques and multiple scattering formalism.
Author: Werner Schweika
Publisher: Springer
ISBN: 9783662147634
Category : Science
Languages : en
Pages : 123
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Book Description
The book reviews structural disorder in alloys and shows how detailed information can be found by applying thermal neutron and / or x-ray scattering. Interactions among atoms of the alloy are modeled by Monte Carlo methods thus achieving a picture of the electronic structure of the system. Precision Monte Carlo Simulations are also used for testing existing theories of wetting.
Author: H. Warlimont
Publisher: Springer Science & Business Media
ISBN: 3642808409
Category : Technology & Engineering
Languages : en
Pages : 554
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Book Description
This book contains 18 invited contributions to the first Inter national Symposium on Order-Disorder Transformations in Alloys+. They cover the major aspects of this group of phase transformations. Although structural order-disorder transformations have been investigated for over 50 years the invited papers, the research papers - whose titles and authors are listed in the appendix - and the discussions at the Symposium have demonstrated very active continued interest and con siderable recent progress in the subject. This is true for theoretical work as weIl as for experimental studies and for the development of materials whose properties result from order-disorder transformations. + Some major national conferences on ordering were held in the USA and in the USSR in recent years; the proceedings are available in the following pUblications: Local Atomic Arrangements Studied by X-Ray Diffraction, Gordon & Breach, New York 1966 2 Ordered Alloys, Claitor's Publ. Div. , Baton Rouge, La. 1970 3 Summaries of the Proceedings of the 2nd Union Conference on Atomic Ordering and its Influence on the Properties of Alloys, Naukova Dumka, Kiev 1966 4 Atomic Ordering and its Influence on the Properties of Alloys, Naukova Dumka, Kiev 1968 5 Atomic Ordering and its Influence on the Properties of Alloys, TGU, Tomsk 1973 111 In assembling these papers it vas attempted to compile a systematic and approximately complete compendium of the sUbject.
Author: Cristina Artini
Publisher: CRC Press
ISBN: 1498741444
Category : Science
Languages : en
Pages : 368
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Book Description
This book focuses on the role of modeling in the design of alloys and intermetallic compounds. It includes an introduction to the most important and most used modeling techniques, such as CALPHAD and ab-initio methods, as well as a section devoted to the latest developments in applications of alloys. The book emphasizes the correlation between modeling and technological developments while discussing topics such as wettability of Ultra High Temperature Ceramics by metals, active brazing of diamonds to metals in cutting tools, surface issues in medicine, novel Fe-based superconductors, metallic glasses, high entropy alloys, and thermoelectric materials.
Author: An-Ben Chen
Publisher: Springer Science & Business Media
ISBN: 1461303176
Category : Science
Languages : en
Pages : 358
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Book Description
In the first comprehensive treatment of these technologically important materials, the authors provide theories linking the properties of semiconductor alloys to their constituent compounds. Topics include crystal structures, bonding, elastic properties, phase diagrams, band structures, transport, ab-initio theories, and semi-empirical theories. Each chapter includes extensive tables and figures as well as problem sets.
Author: Vadim Glebovsky
Publisher: BoD – Books on Demand
ISBN: 9535126962
Category : Technology & Engineering
Languages : en
Pages : 300
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Book Description
In general, metallic alloys are the interdisciplinary subject or even an area that cover physics, chemistry, material science, metallurgy, crystallography, etc. This book is devoted to the metallic alloys. The primary goal is to provide coverage of advanced topics and trends of R
Author: A.R. Yavari
Publisher: Springer Science & Business Media
ISBN: 9401128863
Category : Technology & Engineering
Languages : en
Pages : 524
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Book Description
Proceedings of the European Workshop on Ordering and Disordering held in Grenoble, France, 10-12 July 1991.
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Publisher:
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Category :
Languages : en
Pages :
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Book Description
Author: Abhijit Mookerjee
Publisher: CRC Press
ISBN: 9780415272490
Category : Technology & Engineering
Languages : en
Pages : 396
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Book Description
Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, surfaces and clusters. Understanding the electronic structure of these systems is fundamental not only for the basic science, but also constitutes a very important step in various technological aspects, such as tuning their stabilities, chemical and catalytic reactivities and magnetism. Expert practitioners give an up-to-date account of the field with enough detailed background so that even a newcomer can follow the development. The theoretical framework is discussed in addition to the present status of knowledge in the field. Electronic Structure of Alloys, Surfaces and Clusters also includes an extensive bibliography which provides a comprehensive reading list of work on the topic.
