dft and dmft implementations and applications to the study

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Density Functional Theory And Dynamical Mean Field Theory

Author : Erik Ryan Ylvisaker
ISBN : OCLC:430844510
Genre :
File Size : 32. 33 MB
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Dft And Dmft Implementations And Applications To The Study

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File Size : 72. 71 MB
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Optics And Spectroscopy

Author :
ISBN : CHI:81564174
Genre : Optics
File Size : 59. 55 MB
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Properties And Applications Of Thermoelectric Materials

Author : Veljko Zlatic
ISBN : 9789048128921
Genre : Technology & Engineering
File Size : 43. 2 MB
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As concerns with the efficient use of energy resources, and the minimization of environmental damage have come to the fore, there has been a renewed interest in the role that thermoelectric devices could play in generating electricity from waste heat, enabling cooling via refrigerators with no moving parts, and many other more specialized applications. The main problem in realizing this ambition is the rather low efficiency of such devices for general applications. This book deals with the proceedings of a workshop addressed that problems by reviewing the latest experimental and theoretical work on suitable materials for device applications and by exploring various strategies that might increase their efficiency. The proceedings cover a broad range of approaches, from the experimental work of fabricating new compounds through to theoretical work in characterizing and understanding their properties. The effects of strong electron correlation, disorder, the proximity to metal-insulator transitions, the properties of layered composite materials, and the introduction of voids or cages into the structure to reduce the lattice thermal conductivity are all explored as ways of enhancing the efficiency of their use in thermoelectric devices.

Oral Health Surveys

Author : World Health Organization
ISBN : 9789241548649
Genre : Health & Fitness
File Size : 61. 63 MB
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This manual encourages countries to conduct standardized oral health surveys that are comparable internationally. The manual provides guidelines for assessing the current oral health status of a population and the future needs for oral health intervention. Oral diseases are among the most prevalent non-communicable diseases and major components of the global burden of disease. The key risk factors are common to chronic and oral diseases. Guidelines are presented for risk factors assessment. The WHO approach can facilitate the incorporation of oral health into national health surveillance systems. Surveillance of oral health over time and monitoring of programs may provide decision-makers, public health planners, and health administrators with valuable information about the relevance and cost-effectiveness of public health intervention programs.

Principles Of Inorganic Materials Design

Author : John N. Lalena
ISBN : 0470567538
Genre : Technology & Engineering
File Size : 43. 55 MB
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Unique interdisciplinary approach enables readers to overcome complex design challenges Integrating concepts from chemistry, physics, materials science, metallurgy, and ceramics, Principles of Inorganic Materials Design, Second Edition offers a unique interdisciplinary approach that enables readers to grasp the complexities of inorganic materials. The book provides a solid foundation in the principles underlying the design of inorganic materials and then offers the guidance and tools needed to create specific materials with desired macroscopic properties. Principles of Inorganic Materials Design, Second Edition begins with an introduction to structure at the microscopic level and then progresses to smaller-length scales. Next, the authors explore both phenomenological and atomistic-level descriptions of transport properties, the metal?nonmetal transition, magnetic and dielectric properties, optical properties, and mechanical properties. Lastly, the book covers phase equilibria, synthesis, and nanomaterials. Special features include: Introduction to the CALPHAD method, an important, but often overlooked topic More worked examples and new end-of-chapter problems to help ensure mastery of the concepts Extensive references to the literature for more in-depth coverage of particular topics Biographies introducing twentieth-century pioneers in the field of inorganic materials science This Second Edition has been thoroughly revised and updated, incorporating the latest findings and featuring expanded discussions of such key topics as microstructural aspects, density functional theory, dielectric properties, mechanical properties, and nanomaterials. Armed with this text, students and researchers in inorganic and physical chemistry, physics, materials science, and engineering will be equipped to overcome today's complex design challenges. This textbook is recommended for senior-level undergraduate and graduate course work.

Electronic Structure Calculations For Solids And Molecules

Author : Jorge Kohanoff
ISBN : 0521815916
Genre : Science
File Size : 56. 15 MB
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Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.

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