Download or read book First Principles Simulations of Liquid Semiconductors written by Vitaliy Godlevsky and published by . This book was released on 1999 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book First Principles Calculations of Semiconductor Liquids and Clusters written by Eunjung Ko and published by . This book was released on 2004 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Conceptual Foundations of Materials written by and published by Elsevier. This book was released on 2006-09-20 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: The goal of this Volume "Conceptual Foundations of Materials: A standard model for ground- and excited-state properties" is to present the fundamentals of electronic structure theory that are central to the understanding and prediction of materials phenomena and properties. The emphasis is on foundations and concepts. The Sections are designed to offer a broad and comprehensive perspective of the field. They cover the basic aspects of modern electronic structure approaches and highlight their applications to the structural (ground state, vibrational, dynamic and thermodynamic, etc.) and electronic (spectroscopic, dielectric, magnetic, transport, etc.) properties of real materials including solids, clusters, liquids, and nanostructure materials. This framework also forms a basis for studies of emergent properties arising from low-energy electron correlations and interactions such as the quantum Hall effects, superconductivity, and other cooperative phenomena. Although some of the basics and models for solids were developed in the early part of the last century by figures such as Bloch, Pauli, Fermi, and Slater, the field of electronic structure theory went through a phenomenal growth during the past two decades, leading to new concepts, understandings, and predictive capabilities for determining the ground- and excited-state properties of real, complex materials from first principles. For example, theory can now be used to predict the existence and properties of materials not previously realized in nature or in the laboratory. Computer experiments can be performed to examine the behavior of individual atoms in a particular process, to analyze the importance of different mechanisms, or just to see what happen if one varies the interactions and parameters in the simulation. Also, with ab initio calculations, one can determine from first principles important interaction parameters which are needed in model studies of complex processes or highly correlated systems. Each time a new material or a novel form of a material is discovered, electronic structure theory inevitably plays a fundamental role in unraveling its properties. - Provides the foundations of the field of condensed matter physics - An excellent supplementary text for classes on condensed matter physics/solid state physics - Volume covers current work at the forefront - Presentations are accessible to nonspecialists, with focus on underlying fundamentals
Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2009-04-30 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Download or read book Predictive Simulation of Semiconductor Processing written by Jarek Dabrowski and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 505 pages. Available in PDF, EPUB and Kindle. Book excerpt: Predictive Simulation of Semiconductor Processing enables researchers and developers to extend the scaling range of semiconductor devices beyond the parameter range of empirical research. It requires a thorough understanding of the basic mechanisms employed in device fabrication, such as diffusion, ion implantation, epitaxy, defect formation and annealing, and contamination. This book presents an in-depth discussion of our current understanding of key processes and identifies areas that require further work in order to achieve the goal of a comprehensive, predictive process simulation tool.
Download or read book AB initio Simulations for Semiconductor Liquids written by Manish Jain and published by . This book was released on 2002 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Amorphous Chalcogenide Semiconductors and Related Materials written by Keiji Tanaka and published by Springer Nature. This book was released on 2021-07-01 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides introductory, comprehensive, and concise descriptions of amorphous chalcogenide semiconductors and related materials. It includes comparative portraits of the chalcogenide and related materials including amorphous hydrogenated Si, oxide and halide glasses, and organic polymers. It also describes effects of non-equilibrium disorder, in comparison with those in crystalline semiconductors.
Download or read book Liquid Polymorphism Volume 152 written by H. Eugene Stanley and published by John Wiley & Sons. This book was released on 2013-04-22 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Electron Spin Resonance Studies of Supercooled Water Water-like Anomalies of Core-Softened Fluids: Dependence on the Trajectories in (P, ρ, T) Space Water Proton Environment: A New Water Anomaly at Atomic Scale? Polymorphism and Anomalous Melting in Isotropic Fluids Computer Simulations of Liquid Silica: Water-Like Thermodynamic and Dynamic Anomalies, and the Evidence for Polyamorphism
Download or read book Molecular Dynamics Simulation written by Giovanni Ciccotti and published by MDPI. This book was released on 2018-10-08 with total page 627 pages. Available in PDF, EPUB and Kindle. Book excerpt: Printed Edition of the Special Issue Published in Entropy
Download or read book Semiconductor Physics written by Karl W. Böer and published by Springer Nature. This book was released on 2023-02-02 with total page 1408 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook gives a complete and detailed survey of the field of semiconductor physics. It addresses every fundamental principle, the most important research topics and results, as well as conventional and emerging new areas of application. Additionally it provides all essential reference material on crystalline bulk, low-dimensional, and amorphous semiconductors, including valuable data on their optical, transport, and dynamic properties. This updated and extended second edition includes essential coverage of rapidly advancing areas in semiconductor physics, such as topological insulators, quantum optics, magnetic nanostructures and spintronic systems. Richly illustrated and authored by a duo of internationally acclaimed experts in solar energy and semiconductor physics, this handbook delivers in-depth treatment of the field, reflecting a combined experience spanning several decades as both researchers and educators. Offering a unique perspective on many issues, Semiconductor Physics is an invaluable reference for physicists, materials scientists and engineers throughout academia and industry.
Download or read book Molecular Dynamics written by Perla Balbuena and published by Elsevier. This book was released on 1999-04-22 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Download or read book Modeling and Simulation of Heterogeneous Catalytic Reactions written by Olaf Deutschmann and published by John Wiley & Sons. This book was released on 2013-09-18 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Nobel Prize in Chemistry 2007 awarded to Gerhard Ertl for his groundbreaking studies in surface chemistry highlighted the importance of heterogeneous catalysis not only for modern chemical industry but also for environmental protection. Heterogeneous catalysis is seen as one of the key technologies which could solve the challenges associated with the increasing diversification of raw materials and energy sources. It is the decisive step in most chemical industry processes, a major method of reducing pollutant emissions from mobile sources and is present in fuel cells to produce electricity. The increasing power of computers over the last decades has led to modeling and numerical simulation becoming valuable tools in heterogeneous catalysis. This book covers many aspects, from the state-of-the-art in modeling and simulations of heterogeneous catalytic reactions on a molecular level to heterogeneous catalytic reactions from an engineering perspective. This first book on the topic conveys expert knowledge from surface science to both chemists and engineers interested in heterogeneous catalysis. The well-known and international authors comprehensively present many aspects of the wide bridge between surface science and catalytic technologies, including DFT calculations, reaction dynamics on surfaces, Monte Carlo simulations, heterogeneous reaction rates, reactions in porous media, electro-catalytic reactions, technical reactors, and perspectives of chemical and automobile industry on modeling heterogeneous catalysis. The result is a one-stop reference for theoretical and physical chemists, catalysis researchers, materials scientists, chemical engineers, and chemists in industry who would like to broaden their horizon and get a substantial overview on the different aspects of modeling and simulation of heterogeneous catalytic reactions.
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 Proceedings of the Symposium Om Process Control Diagnostics and Modeling in Semiconductor Manufacturing written by M. Meyyappan and published by The Electrochemical Society. This book was released on 1995 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Monte Carlo Simulation of Semiconductor Devices written by C. Moglestue and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: Particle simulation of semiconductor devices is a rather new field which has started to catch the interest of the world's scientific community. It represents a time-continuous solution of Boltzmann's transport equation, or its quantum mechanical equivalent, and the field equation, without encountering the usual numerical problems associated with the direct solution. The technique is based on first physical principles by following in detail the transport histories of indi vidual particles and gives a profound insight into the physics of semiconductor devices. The method can be applied to devices of any geometrical complexity and material composition. It yields an accurate description of the device, which is not limited by the assumptions made behind the alternative drift diffusion and hydrodynamic models, which represent approximate solutions to the transport equation. While the development of the particle modelling technique has been hampered in the past by the cost of computer time, today this should not be held against using a method which gives a profound physical insight into individual devices and can be used to predict the properties of devices not yet manufactured. Employed in this way it can save the developer much time and large sums of money, both important considerations for the laboratory which wants to keep abreast of the field of device research. Applying it to al ready existing electronic components may lead to novel ideas for their improvement. The Monte Carlo particle simulation technique is applicable to microelectronic components of any arbitrary shape and complexity.
Download or read book Multiscale Modeling written by Pedro Derosa and published by CRC Press. This book was released on 2010-12-09 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: While the relevant features and properties of nanosystems necessarily depend on nanoscopic details, their performance resides in the macroscopic world. To rationally develop and accurately predict performance of these systems we must tackle problems where multiple length and time scales are coupled. Rather than forcing a single modeling approach to
Download or read book Hydration Processes in Biology written by Marie-Claire Bellissent-Funel and published by IOS Press. This book was released on 1999 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: The interaction of water at organic surfaces or interfaces is of fundamental and technological interest and importance in chemistry, physics and biology. Progress towards an in-depth, molecular interpretation of the structure and dynamics of interfacial water needs a range of novel experimental and simulation techniques. We are now reaching the stage at which we understand, at the molecular level, the mutual perturbation at a macromolecule/water interface. The aims of this book are to provide with a comprehensive background to the properties of bulk water at the microscopic level and with a substantial account of the theoretical and experimental contributions which have been done to understand the role of water in various systems from some model systems to the more complex ones such as the biological systems.
