04108cam a2200649Ia 4500 ocn872649140 OCoLC 20171031094037.0 m o d cr cnu---unuuu 090713s2014 gw ob 001 0 eng d 9783527671557 (electronic bk.) 3527671552 (electronic bk.) 9783527671571 (electronic bk.) 3527671579 (electronic bk.) 9783527335077 3527335072 9783527671588 (e-book) 3527671587 (e-book) 9783527671564 (e-pub) 3527671560 (e-pub) EB00196727 Recorded Books AU@ 000052839749 CHBIS 010442017 CHVBK 334087805 DEBBG BV043396601 NZ1 15497453 NZ1 15906685 (OCoLC)872649140 (OCoLC)867631013 RECBK eng RECBK OCLCO DG1 OCLCO CUS YDXCP COO OCLCQ OCLCO DEBBG OCLCQ N$T MAIN QC176 .L48 2014 SCI 024000 bisacsh SCI 041000 bisacsh SCI 055000 bisacsh 530.41 23 Levitin, Valim. Interatomic bonding in solids : fundamentals, simulation, applications / Valim Levitin. [electronic resource] Weinheim, Germany : Wiley-VCH, ©2014. 1 online resource (xiii, 306 pages) text txt rdacontent computer c rdamedia online resource cr rdacarrier Includes bibliographical references (pages 299-302) and index. The connection between a quantum behavior of the structure elements of a substance and the parameters that determine the macroscopic behavior of materials has a major influence on the properties exhibited by different solids. Although quantum theory and engineering should complement each other, this is not always the case. This book aims to demonstrate how the properties of materials can be derived and predicted proceeding from the features of their structural elements, generally electrons. In a sense, electronic structure forms the glue holding solids as whole, and it is central in determining structural, mechanical, chemical, electrical, magnetic and vibrational properties. The main part of the book is devoted an overview of the fundamentals of the density functional theory and its applications to computational solid state physics and chemistry. The author shows in detail the technique of construction of models and the methods of their computer simulation. He considers physical and chemical fundamentals of interatomic bonding in solids and analyzes the predicted theoretical outcome in comparison with experimental data. This is applying the first-principle simulation methods so as to predict the properties of transition metals, semiconductors, oxides, solid solutions, molecular and ionic crystals. Unique in presenting are novel theories of creep and fatigue that help to anticipate - and prevent - possible fatal material failures. As a result, users gain the knowledge and tools to simulate material properties and to design materials with desired characteristics. Due to the interdisciplinary nature of the book, it is suitable for a variety of markets from students and lectures to engineers and researchers. Online resource; title from PDF title page (Wiley, viewed April 28, 2014). Solids. Chemical bonds. Density functionals Computer simulation. Materials science Computer simulation. Technology. TECHNOLOGY & ENGINEERING Materials Science. bisacsh Electronic books. Print version: Levitin, Valim. Interatomic bonding in solids. Weinheim, Germany : Wiley-VCH, [2014] 9783527335077 (OCoLC)868268812 http://onlinelibrary.wiley.com/book/10.1002/9783527671557 Wiley Online Library ddc BK 207314 207314