Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Theoretical Surface Science written by Axel Groß and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent years have witnessed tremendous progress in the theoretical treatment of surfaces and processes on surfaces. A variety of surface properties can now be described from first principles, i.e. without invoking any empirical parameters. In this book the theoretical concepts and computational tools necessary and relevant for a microscopic approach to the theoretical description of surface science is presented. Based on the fundamental theoretical entity, the Hamiltonian, a hierarchy of theoretical methods is introduced. Furthermore, a detailed discussion of surface phenomena is given and comparisons made to experimental results made, making the book suitable for both graduate students and for experimentalists seeking an overview of the theoretical concepts in surface science.

Download or read book Defects in Solids written by A.V. Chadwick and published by Springer Science & Business Media. This book was released on 2013-12-01 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Density Functional Methods in Chemistry written by Jan K. Labanowski and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Predicting molecular structure and energy and explaining the nature of bonding are central goals in quantum chemistry. With this book, the editors assert that the density functional (DF) method satisfies these goals and has come into its own as an advanced method of computational chemistry. The wealth of applications presented in the book, ranging from solid state sys tems and polymers to organic and organo-metallic molecules, metallic clus ters, and biological complexes, prove that DF is becoming a widely used computational tool in chemistry. Progress in the methodology and its imple mentation documented by the contributions in this book demonstrate that DF calculations are both accurate and efficient. In fact, the results of DF calculations may pleasantly surprise many chem ists. Even the simplest approximation of DF, the local spin density method (LSD), yields molecular structures typical of ab initio correlated methods. The next level of theory, the nonlocal spin density method, predicts the energies of molecular processes within a few kcallmol or less. Like the Hartree-Fock (HF) and configuration interaction (CI) methods, the DF method is based only on fundamental physical constants. Therefore, it does not require semiempirical parameters and can be applied to any molecular system and to metallic phases. However, DF's greatest advantage is that it can be applied to much larger systems than those approachable by tradition al ab initio methods, especially when compared with correlated ab initio methods.

Download or read book The Chemistry of Organic Silicon Compounds Volume 3 written by Zvi Rappoport and published by John Wiley & Sons. This book was released on 2001-11-28 with total page 1188 pages. Available in PDF, EPUB and Kindle. Book excerpt: Complementing the six volumes already published in Patai'sChemistry of the Functional Groups series this title covers topicsnot previously updated in the set. Written by key researchers in the field it includes more practicalchapters and industrial examples than before as well as additionalmaterial. There is a strong emphasis on "Poly" derivatives of variousclasses of silicon compounds as well as a chapter on silicon inmodern high-technology. These supplement the "practical" parts ofearlier volumes and enhance past material. * Continues with the high standard expected of the series * Complement to the 3 volume set of the chemistry of organicsilicon compounds published in 1998 * Updates content from previous volumes and includes chapters ontheory and silicon based radicals that are of theoretical andpractical importance * An invaluable reference source to organic chemists working inacademia and industry * Includes many more industrial examples than previous titles inthe series This volume complements the main volumes, with little overlap, andensures the functional group series continues its superiority inthe silicon field. This volume is now available in electronic format from BooksOnline.

Download or read book Nanosilicon written by Vijay Kumar and published by Elsevier. This book was released on 2011-07-28 with total page 385 pages. Available in PDF, EPUB and Kindle. Book excerpt: Properties of nanosilicon in the form of nanoparticles, nanowires, nanotubes, and as porous material are of great interest. They can be used in finding suitable components for future miniature devices, and for the more exciting possibilities of novel optoelectronic applications due to bright luminescence from porous silicon, nanoparticles and nanowires. New findings from research into metal encapsulated clusters, silicon fullerenes and nanotubes have opened up a new paradigm in nanosilicon research and this could lead to large scale production of nanoparticles with control on size and shape as well as novel quasi one-dimensional structures. There are possibilities of using silicon as an optical material and in the development of a silicon laser. In Nanosilicon, leading experts cover state-of-the-art experimental and theoretical advances in the different forms of nanosilicon. Furthermore, applications of nanosilicon to single electron transistors, as photonic material, chemical and biological sensors at molecular scale, and silicon nanowire devices are also discussed. Self-assemblies of silicon nanoforms are important for applications. These developments are also related to cage structures of silicon in clathrates. With an interesting focus on the bottlenecks in the advancement of silicon based technology, this book provides a much-needed overview of the current state of understanding of nanosilicon research. - Latest developments in nanoparticles, nanowires and nanotubes of silicon - Focus on nanosilicon - a very timely subject attracting large interest - Novel chapters on metal encapsulated silicon clusters and nanotubes

Download or read book Book of Abstracts written by American Chemical Society. Meeting and published by . This book was released on 1976 with total page 1328 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Energy Research Abstracts written by and published by . This book was released on 1992-02 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Cluster Models for Surface and Bulk Phenomena written by Gianfranco Pacchioni and published by Springer Science & Business Media. This book was released on 2013-03-08 with total page 683 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is widely recognized that an understanding of the physical and chemical properties of clusters will give a great deal of important information relevant to surface and bulk properties of condensed matter. This relevance of clusters for condensed matter is one of the major motivations for the study of atomic and molecular clusters. The changes of properties with cluster size, from small clusters containing only a few atoms to large clusters containing tens of thousands of atoms, provides a unique way to understand and to control the development of bulk properties as separated units are brought together to form an extended system. Another important use of clusters is as theoretical models of surfaces and bulk materials. The electronic wavefunctions for these cluster models have special advantages for understanding, in particular, the local properties of condensed matter. The cluster wavefunctions, obtained with molecular orbital theory, make it possible to relate chemical concepts developed to describe chemical bonds in molecules to the very closely related chemical bonding at the surface and in the bulk of condensed matter. The applications of clusters to phenomena in condensed matter is a cross-disciplinary activity which requires the interaction and collaboration of researchers in traditionally separate areas. For example, it is necessary to bring together workers whose background and expertise is molecular chemistry with those whose background is solid state physics. It is also necessary to bring together experimentalists and theoreticians.

Download or read book Materials Modelling Using Density Functional Theory written by Feliciano Giustino and published by Oxford University Press. This book was released on 2014 with total page 303 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy.

Download or read book Computational Materials Chemistry written by L.A. Curtiss and published by Springer Science & Business Media. This book was released on 2006-01-16 with total page 381 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a result of the advancements in algorithms and the huge increase in speed of computers over the past decade, electronic structure calculations have evolved into a valuable tool for characterizing surface species and for elucidating the pathways for their formation and reactivity. It is also now possible to calculate, including electric field effects, STM images for surface structures. To date the calculation of such images has been dominated by density functional methods, primarily because the computational cost of - curate wave-function based calculations using either realistic cluster or slab models would be prohibitive. DFT calculations have proven especially valuable for elucidating chemical processes on silicon and other semiconductor surfaces. However, it is also clear that some of the systems to which DFT methods have been applied have large non-dynamical correlation effects, which may not be properly handled by the current generation of Kohn-Sham-based density functionals. For example, our CASSCF calculations on the Si(001)/acetylene system reveal that at some geometries there is extensive 86 configuration mixing. This, in turn, could signal problems for DFT cal- lations on these systems. Some of these problem systems can be addressed using ONIOM or other “layering” methods, treating the primary region of interest with a CASMP2 or other multireference-based method, and treating the secondary region by a lower level of electronic structure theory or by use of a molecular mechanics method. ACKNOWLEDGEMENTS We wish to thank H. Jónsson, C. Sosa, D. Sorescu, P. Nachtigall, and T. -C.

Download or read book Recent Trends in Theory of Physical Phenomena in High Magnetic Fields written by Israel D. Vagner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive collection of papers on theoretical aspects of electronic processes in simple and synthetic metals, superconductors, bulk and low-dimensional semiconductors under extreme conditions, such as high magnetic and electric fields, low and ultra-low temperatures. The main emphasis is on low-dimensional conductors and superconductors, where correlated electrons, interacting with magnetic or nonmagnetic impurities, phonons, photons, or nuclear spins, result in a variety of new physical phenomena, such as quantum oscillations in the superconducting state, Condon instability, Skyrmions and composite fermions in quantum Hall effect systems, and hyperfine field-induced mesoscopic and nanoscopic phenomena. Several new experimental achievements are reported that promise to delineate future trends in low temperature and high magnetic field physics, including the experimental observation of the interplay between superconductivity and nuclear spin ordering at ultra-low temperatures, new observations of Condon domains in normal metals, and an experimental proposal for the realisation of isotopically engineered, semiconductor-based spin-qubit elements for future quantum computation and communication technology.

Download or read book Physics of Clusters and Nanophase Materials written by M. S. Multani and published by CRC Press. This book was released on 1990 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: These issues represent a compendium of review papers covering almost every aspect of the physics of clusters and nanophase materials. Papers have been written by leading international experts in the field. The purpose of this compendium has been to illustrate, in more detail than is possible in a conference paper, the fundamental or underlying principles.

Download or read book Metallic Systems written by Thomas C. Allison and published by CRC Press. This book was released on 2011-05-09 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metallic systems are ubiquitous in daily life. They play key roles, for example, in the chemistry of many biomolecules, ionic solutions, nanoparticles, and catalytic processes. They may be in solid, liquid, or gaseous form. The interactions of other molecules with metal surfaces are of considerable importance. Each of these topics is addressed in M

Download or read book Atomic Layer Epitaxy written by T. Suntola and published by Springer. This book was released on 1989-10-31 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a detailed study of the Atomic Layer Epitaxy technique (ALE), its development, current and potential applications. The rapid development of coating technologies over the last 25 years has been instrumental in generating interest and expertise in thin films of materials, and indeed the market for thin film coatings is currently £3 billion with projected annual growth of 20 to 30% [1]. ALE is typical of thin-film processes in that problems in the processing or preparation of good quality epitaxial films have been overcome, resulting in better performance, novel applications of previously unsuitable materials, and the development of new devices. Many materials exhibit interesting and novel properties when prepared as thin films and doped. Vapour-deposited coatings and films are used extensively in the semiconductor and related industries for making single devices, integrated circuits, microwave hybrid integrated circuits, compact discs, solar reflective glazing, fibre optics, photo voltaic cells, sensors, displays, and many other products in general, everyday use. The ALE technique was developed by a research team led by Tuomo Suntola, working for Instrumentarium Oy in Finland. The key members of this team were lorma Antson, Arto Pakkala and Sven Lindfors. In 1977, the research team moved from Instrumentarium to Lohja Corporation, where they continued the development of ALE and were granted a patent in the same year. By 1980, the technique was sufficiently advanced that they were producing flat-screen electroluminescent displays based on a manganese-doped zinc sulphide layer.

Download or read book Terahertz Science and Technology for Military and Security Applications written by Dwight L. Woolard and published by World Scientific. This book was released on 2007 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: The inherent advantages and potential payoffs of the terahertz (THz) regime for military and security applications serve as an important driver for interest in new THz-related science and technology. In particular, the very rapid growth in more recent years is arguably most closely linked to the potential payoffs of THz sensing and imaging (THz-S&I).This book presents some of the leading fundamental research efforts towards the realization of practical THz-S&I capabilities for military and security applications. Relevant subjects include theoretical prediction and/or measurement of THz spectroscopic phenomenon in solid-state materials such as high explosives (e.g. HMX, PETN, RDX, TNT, etc.), carbon-fiber composites, biological agents (e.g. DNA, RNA, proteins, amino acids) and organic-semiconductor nanostructures. Individual papers also address the effective utilization of state-of-the-art THz-frequency technology in military and security relevant scenarios such as standoff S&I, screening of packages and personnel, and perimeter defense. Technical papers introduce novel devices and/or concepts that enhance THz source and detector performance, enabling completely new types of sensor functionality at THz frequency (e.g. detection at nanoscale/molecular levels), and defining new and innovative sensing modalities (e.g. remote personnel identification) for defense and security. Therefore, the collective research presented here represents a valuable source of information on the evolving field of THz-S&I for military and security applications.

Download or read book Referativny zhurnal written by and published by . This book was released on 1982 with total page 698 pages. Available in PDF, EPUB and Kindle. Book excerpt: