During the past decade the theoretical physics community has learned how to evaluate accurately polarizabilities and susceptibilities for many-electron systems such as atoms, solids, and liquids. The most accurate numerical technique employs a method often called the Time-Dependent Local Density Approximation, which is abbreviated TDLDA. The present volume is a review of recent research on the theory of po larizabilities and susceptibilities. Both authors have been doing these cal culations. However, this review surveys the entire field, summarizing the research of many contributors. The application of an external field, either ac or de, will induce a dipole moment which can be calculated and compared with experiment. For mod erately strong fields, both linear and nonlinear processes contribute to the moment. We cover topics such as polarizability, hyperpolarizability, pho toionization, phonons, and piezoelectricity. Density functional theory in the Local Density Approximation (LDA) has been shown to be a very accurate method for calculating ground state prop erties of electronic system. For static external fields, the induced moments are properties of the ground state. Then the calculation of the polarizability . is very accurate. For ac fields, the moment is not part of the ground state. However, the TDLDA methods are still very accurate."

This is a book describing electronic structure theory and application within the framework of a methodology implemented in the computer code RSPt. In 1986, when the code that was to become RSPt was developed enough to be useful, it was one of the ?rst full-potential, all-electron, relativistic implem- tations of DFT (density functional theory). While RSPt was documented p- asitically in many publications describing the results of its application, it was many years before a publication explicitly describing aspects of the method appeared. In the meantime, several excellent all-electron, full-potential me- ods had been developed, published, and become available. So why a book about RSPt now? The code that became RSPt was initially developed as a personal research tool, rather than a collaborative e?ort or as a product. As such it required some knowledge of its inner workings to use, and as it was meant to be m- imally ?exible, the code required experience to be used e?ectively. These - tributes inhibited, but did not prevent, the spread of RSPt as a research tool. While applicable across the periodic table, the method is particularly useful in describing a wide range of materials, including heavier elements and c- pounds, and its ?exibility provides targeted accuracy and a convenient and accurate framework for implementing and assessing the e?ect of new models.

This book describes in detail the current, state-of-the-art numerical treatment and simulation of multiphase flows in porous media. The porous media considered range from ordinary to fractured and deformable media, the models treated from single-phase compressible flow to multiphase multicomponent flow with mass interchange, while the computational algorithms encompass everything from classical iterative solvers to modern multigrid and domain decomposition approaches. Addressing many problems originating from the applied geosciences, the book focuses on their common mathematical and computational aspects. It will serve as an excellent research reference for all geoscientists, mathematicians, physicists, and engineers who work in the mathematical modeling and numerical simulation of multiphase flows in porous media.

This book introduces comprehensive fundamentals, numerical simulations and experimental methods of electrification of particulates entrained multiphase flows. The electrifications of two particulate forms, liquid droplets and solid particles, are firstly described together. Liquid droplets can be charged under preset or associated electric fields, while solid particles can be charged through contact. Different charging ways in gas (liquid)-liquid or gas-solid multiphase flows are summarized, including ones that are beneficial to industrial processes, such as electrostatic precipitation, electrostatic spraying, and electrostatic separation, etc., ones harmful for shipping and powder industry, and ones occurring in natural phenomenon, such as wind-blown sand and thunderstorm. This book offers theoretical references to the control and utilization of the charging or charged particulates in multiphase flows as well.

This book introduces the reader to latex, which is a colloidal dispersion of polymer particles in water, and explains how useful products are made from it.

The primary focus is the process by which wet latex can be transformed into coatings, adhesives, and composites in the process known as film formation. The book reviews the main experimental techniques used to study the film formation process. It then presents the fundamental concepts for each of the three main stages of the process: evaporation of water, particle deformation, and polymer diffusion. The latest experimental observations are presented along with theoretical descriptions and models. Later chapters consider the effects of surfactant on film properties and describe films made from nanocomposite particles and from blends of latex with nanoparticles, such as clays or carbon nanotubes. The book concludes with a chapter considering the remaining technical challenges and highlighting a few exciting future directions. Throughout the presentation, fundamental concepts are emphasised. Relevant models are explained in an accessible way that does not assume prior knowledge.

This book will serve as a state-of-the art reference for scientists working in industrial R&D and also for researchers in diverse academic subjects, including chemistry, physics, engineering, and materials science.

This book reviews the current status of semiconductor materials for conversion of sunlight to electricity, and highlights advances in both basic science and manufacturing. Photovoltaic (PV) solar electric technology will be a significant contributor to world energy supplies when reliable, efficient PV power products are manufactured in large volumes at low cost. Expert chapters cover the full range of semiconductor materials for solar-to-electricity conversion, from crystalline silicon and amorphous silicon to cadmium telluride, copper indium gallium sulfide selenides, dye sensitized solar cells, organic solar cells, and environmentally friendly copper zinc tin sulfide selenides. The latest methods for synthesis and characterization of solar cell materials are described, together with techniques for measuring solar cell efficiency. Semiconductor Materials for Solar Photovoltaic Cells presents the current state of the art as well as key details about future strategies to increase the efficiency and reduce costs, with particular focus on how to reduce the gap between laboratory scale efficiency and commercial module efficiency. This book will aid materials scientists and engineers in identifying research priorities to fulfill energy needs, and will also enable researchers to understand novel semiconductor materials that are emerging in the solar market. This integrated approach also gives science and engineering students a sense of the excitement and relevance of materials science in the development of novel semiconductor materials. * Provides a comprehensive introduction to solar PV cell materials * Reviews current and future status of solar cells with respect to cost and efficiency * Covers the full range of solar cell materials, from silicon and thin films to dye sensitized and organic solar cells * Offers an in-depth account of the semiconductor material strategies and directions for further research * Features detailed tables on the world leaders in efficiency demonstrations * Edited by scientists with experience in both research and industry

Lecturers: Quantum Symmetries in 2D Massive Field Theories; D. Bernard. On Knot and Manifold Invariants; R. Bott. The Metric Aspect of Noncommutative Geometry; A. Connes, J. Lott. Observables, Superselection Sectors, and Gauge Groups; C. Fredenhagen. Non-Compact WZW Conformal Field Theories; K. Gawedzki. S-Matrix Theory for Black Holes; G. 't Hooft. Whitman Theory for Integrable Systems and Topological Quantum Field Theories; I. Krichever. Quantum Groups in Lattice Models; V. Pasquier. Lagrangian Conformal Models; R. Stora. Seminar Speakers: Integrability Properties of the Collective String Field Theory; J. Avan. Correlational Functions of Local Operators in 2D Gravity Coupled to Minimal Matter; Vl.S. Dotsenko. W-Algebras and Langlands-Drinfeld Correspondence; E. Frenkel. Aspects of Quantizing Lorentz Symmetry; A. Schirrmacher. 11 additional articles. Index.

This volume comprises the expert contributions from the invited speakers at the 17th International Conference on Thin Films (ICTF 2017), held at CSIR-NPL, New Delhi, India. Thin film research has become increasingly important over the last few decades owing to the applications in latest technologies and devices. The book focuses on current advances in thin film deposition processes and characterization including thin film measurements. The chapters cover different types of thin films like metal, dielectric, organic and inorganic, and their diverse applications across transistors, resistors, capacitors, memory elements for computers, optical filters and mirrors, sensors, solar cells, LED's, transparent conducting coatings for liquid crystal display, printed circuit board, and automobile headlamp covers. This book can be a useful reference for students, researchers as well as industry professionals by providing an up-to-date knowledge on thin films and coatings.

Light scattering is a very powerful method to characterize the structure of polymers and nanoparticles in solution. Recent technical developments have strongly enhanced the possible applications of this technique, overcoming previous limitations like sample turbidity or insufficient experimental time scales. However, despite their importance, these new developments have not yet been presented in a comprehensive form. In addition, and maybe even more important to the broad audience, there lacks a simple-to-read textbook for students and non-experts interested in the basic principles and fundamental techniques of light scattering. As part of the Springer Laboratory series, this book tries not only to provide such a simple-to-read and illustrative textbook about the seemingly very complicated topic of light scattering from polymers and nanoparticles in dilute solution, but also intends to cover some of the newest technical developments in experimental light scattering.

The ability to understand and control the unique properties of interfaces has created an entirely new field of magnetism, with profound impact in technology and serving as the basis for a revolution in electronics. Our understanding of the physics of magnetic nanostructures has also advanced significantly. This rapid development has generated a need for a comprehensive treatment that can serve as an introduction to the field for those entering it from diverse fields, but which will also serve as a timely overview for those already working in this area. The four-volume work Ultra-Thin Magnetic Structures aims to fulfill this dual need. The original two volumes now available once more are "An Introduction to the Electronic, Magnetic and Structural Properties" (Vol. I) and Measurement Techniques and Novel Magnetic Properties (this volume). Two new volumes, "Fundamentals of Nanomagnetism" and "Applications of Nanomagnetism," extend and complete this comprehensive work by presenting the foundations of spintronics."

Introduction to Fragment-Based Drug Discovery, by Daniel A. Erlanson

Fragment Screening Using X-Ray Crystallography, by Thomas G. Davies and Ian J. Tickle

Hsp90 Inhibitors and Drugs from Fragment and Virtual Screening, by Stephen Roughley, Lisa Wright, Paul Brough, Andrew Massey and Roderick E. Hubbard

Combining NMR and X-ray Crystallography in Fragment-Based Drug Discovery: Discovery of Highly Potent and Selective BACE-1 Inhibitors, by Daniel F. Wyss, Yu-Sen Wang, Hugh L. Eaton, Corey Strickland, Johannes H. Voigt, Zhaoning Zhu and Andrew W. Stamford

Combining Biophysical Screening and X-Ray Crystallography for Fragment-Based Drug Discovery, by Michael Hennig, Armin Ruf and Walter Huber

Targeting Protein Protein Interactions and Fragment-Based Drug Discovery, by Eugene Valkov, Tim Sharpe, May Marsh, Sandra Greive and Marko Hyvonen

Fragment Screening and HIV Therapeutics, by Joseph D. Bauman, Disha Patel and Eddy Arnold

Fragment-Based Approaches and Computer-Aided Drug Discovery, by Didier Rognan"

Surfaces and interfaces play an increasingly important role in today's solid state devices. In this book the reader is introduced, in a didactic manner, to the essential theoretical aspects of the atomic and electronic structure of surfaces and interfaces. The book does not pretend to give a complete overview of contemporary problems and methods. Instead, the authors strive to provide simple but qualitatively useful arguments that apply to a wide variety of cases. The emphasis of the book is on semiconductor surfaces and interfaces but it also includes a thorough treatment of transition metals, a general discussion of phonon dispersion curves, and examples of large computational calculations. The exercises accompanying every chapter will be of great benefit to the student.

The great interest in photonic crystals and their applications in the last 15 years is being expressed in the publishing of a large number of monographs, collections, textbooks and tutorials, where existing knowledge concerning - eration principles of photonic crystal devices and microstructured ?bers, their mathematicaldescription,well-knownandnovelapplicationsofsuchtechno- gies in photonics and optical communications are presented. They challenges authors of new books to cover the gaps still existing in the literature and highlight and popularize of already known material in a new and original manner. Authorsofthisbookbelievethatthenextsteptowardswideapplicationof photoniccrystalsisthesolutionofmanypracticalproblemsofdesignandc- putation of the speci?c photonic crystal-based devices aimed at the speci?c technicalapplication.Inordertomakethisstep,itisnecessarytoincreasethe number of practitioners who can solve such problems independently. The aim of this book is to extend the group of researchers, developers and students, who could practically use the knowledge on the physics of photonic crystals together with the knowledge and skills of independent calculation of basic characteristics of photonic crystals and modeling of various elements of - tegrated circuits and optical communication systems created on the basis of photonic crystals. The book is intended for quali?ed readers, specialists in the ?eld of optics and photonics, students of higher courses, master degree students and PhD students. As an introduction to the snopest, the book contains the basics of wave optics and radiation propagation in simple guiding media such as planar waveguides and step-index ?bers.

Considered one of the major fields of photonics of the beginning 21st century, plasmonics offers the potential to confine and guide light below the diffraction limit and promises a new generation of highly miniaturized photonic devices. Offering both a comprehensive introduction to the field and an extensive overview of the current state of the art, Plasmonics - Fundamentals and Applications should be of great value to the newcomer and to the experienced researcher. The topics covered include plasmon waveguides, cavities for field-enhancement, nonlinear processes and the emerging field of active plasmonics studying interactions of surface plasmons with active media.

The equation of state was originally developed for ideal gases, and proved central to the development of early molecular and atomic physics. Increasingly sophisticated equations of state have been developed to take into account molecular interactions, quantization, relativistic effects, etc.

Extreme conditions of matter are encountered both in nature and in the laboratory, for example in the centres of stars, in relativistic collisions of heavy nuclei, in inertial confinement fusion (where a temperature of 10"9" K and a pressure of up to a billion atmospheres can be achieved). A sound knowledge of the equation of state is a prerequisite for understanding processes at very high temperatures and pressures, as noted in some recent developments.

This book presents a detailed pedagogical account of the equation of state and its applications in several important and fast-growing topics in theoretical physics, chemistry and engineering.

This book is a collection of papers dedicated to Professor Dr. Krzysztof Wilman 'ski onthe occasionof his 70thbirthday. The bookcontains25 cont- butions of his friends and colleagues. He met the invited authors at di?erent stagesofhisscienti?ccareerofalmost50yearssothatthecontributionscover a wide range of ?elds stemming from continuum mechanics. This happened at numerous universities and research institutes where he both taught and did his excellent research work, e. g. * the University of Lod ' ' z, Poland, where he studied Civil Engineering and did his diploma work onElastic-plastic thermal stresses in a thin ring and where he graduated with his PhD-work in the ?eld of Continuous Models of Discrete Systems, * theInstituteofFundamentalTechnologicalResearchofthePolishAcademy of Sciences in Warsaw, where he got his habilitation in the ?eld Non- cal Continuum Mechanics and where he was the head of the Research Group Continuum Thermodynamics. He collaborated with W. Fiszdon, L. Turski, Cz. Wozniak, H. Zorski and others on the topics axiomatic and kinetic foundations of continuumthermodynamics, theory of mixtures, phase transformations in solids, * theJohnsHopkinsUniversityinBaltimore,US,wherehe workedtogether, e. g. with C. Truesdell, J. Ericksen and W. Williams, on axiomatic and kinetic foundations of continuum thermodynamics, * the College of Engineering, University of Baghdad, Iraq, where he was a Visiting Professor and taught many courses, * theUniversityofPaderbornandtheTechnicalUniversityBerlin,Germany, wherehe had an Alexander von Humboldt Stipend andcontractsasa V- iting Professor (works on a model of crystallizing polymers, on a nonlocal thermodynamicmodelofplasmasandelectrolytesandonmartensiticphase transformations), * the Wissenschaftskolleg zu Berlin (Institute for Advanced Studies), G- many,whereheworkedtogetherwithe. g. I.

This thesis describes longitudinal nuclear relaxation measurements of solid 129Xe near 77 K with previously unattainable reproducibility, and demonstrates differences in relaxation, dependent upon the way in which the solid is condensed. These results are directly applicable to the generation and storage of large quantities of hyperpolarized 129Xe for various applications, such as lung magnetic resonance imaging (MRI). The thesis features a sophisticated theoretical approach to these data sets, including modifications to a well-established Raman-phonon scattering theory that may explain the larger scatter in and discrepancies with previous work.

Nuclear magnetic resonance (NMR), nuclear quadrupole resonance (NQR), time differential perturbed angular correlations (TDPAC), and the Mossbauer effect (ME) have been applied to the study of charge density wave (CDW) systems. These hyperfine techniques provide unique tools to probe the structure and symmetry of commensurate CDWs, give a clear fingerprint of incommensurate CDWs, and are ideally suited for CDW dynamics. This book represents a new attempt in the series Physics and Chemistry of Materials with Low-dimensional Structures' to bring together a consistent group of scientific results obtained by nuclear spectroscopy related to CDW phenomena in pseudo-one- and two-dimensional systems. The individual chapters contain: the theory of CDWs in chain-like transition metal tetrachalcogenides; NMR, NQR, TDPAC, and ME investigations of layered transition metal dichalcogenides; NMR studies of CDW-transport in chain-like NbSe3 and molybdenum bronzes; multinuclear NMR of KCP; high resolution NMR of organic conductors. This book is of interest to graduate students and all scientists who want to acquire a broader knowledge of nuclear spectroscopy techniques applied to CDW systems. "

The technological means now exists for approaching the fundamentallimiting scales of solid state electronics in which a single carrier can, in principle, represent a single bit in an information flow. In this light, the prospect of chemically, or biologically, engineered molccular-scale structures which might support information processing functions has enticed workers for many years. The one common factor in all suggested molecular switches, ranging from the experimentally feasible proton-tunneling structure, to natural systems such as the micro-tubule, is that each proposed structure deals with individual information carrying entities. Whereas this future molecular electronics faces enormous technical challenges, the same Iimit is already appearing in existing semiconducting quantum wires and small tunneling structures, both superconducting and normal meta! devices, in which the motion of a single eh arge through the tunneling barrier can produce a sufficient voltage change to cut-off further tunneling current. We may compare the above situation with today's Si microelectronics, where each bit is encoded as a very !arge number, not necessarily fixed, of electrons within acharge pulse. The associated reservoirs and sinks of charge carriers may be profitably tapped and manipulated to proviele macro-currents which can be readily amplified or curtailed. On the other band, modern semiconductor ULSI has progressed by adopting a linear scaling principle to the down-sizing of individual semiconductor devices.

The ability to understand and control the unique properties of interfaces has created an entirely new field of magnetism, with profound impact in technology and serving as the basis for a revolution in electronics. Our understanding of the physics of magnetic nanostructures has also advanced significantly. This rapid development has generated a need for a comprehensive treatment that can serve as an introduction to the field for those entering it from diverse fields, but which will also serve as a timely overview for those already working in this area. The four-volume work Ultra-Thin Magnetic Structures aims to fulfill this dual need. The original two volumes now available once more are An Introduction to the Electronic, Magnetic and Structural Properties (this volume) and "Measurement Techniques and Novel Magnetic Properties." Two new volumes, "Fundamentals of Nanomagnetism" and "Applications of Nanomagnetism," extend and complete this comprehensive work by presenting the foundations of spintronics."

This book presents a collection of essays and remembrances of the late Soviet physicist Gersh Itskovich Budker. The book was originally published in Russia in 1988 as a memorial on the occasion of Budker's 70th birthday and translated/edited by the editors. Budker was the founder and first director of the Institute of Nuclear Physics in Novosibirsk, a division of the Soviet Siberian Academy. He is primarily known for his work in high energy physics, controlled fusion and accelerator and beam physics. Two articles are included by Budker himself, and other contributors include Kapitsza, Landau, Sakharov and other eminent Soviet and American physicists. The book is illustrated with photographs, and should be of interest to high energy physicists, plasma physicists and historians of physics.

This book provides the theoretical basis and the relevant experimental knowledge underlying our present understanding of the electrical and optical properties of semiconductor heterostructures. Although such structures have been known since the 1940s, it was only in the 1980s that they moved to the forefront of research, largely due to technological developments that made it possible to grow several ultrathin layers of different materials _ down to a few atoms in thickness _ on top of a silicon or other substrates. The resulting structures have remarkable properties not shared by bulk materials. One can, for example, confine the motions of electrons to a single layer, making it possible to investigate effectively two-dimensional systems. One can also build materials with large-scale periodicities by alternating layers of different compositions, thereby modulating the optical and electronic properties of the resulting structure. The text begins with a description of the electronic properties of various types of heterostructures, including discussions of complex band-structure effects, localized states, tunneling phenomena, and excitonic states. The focus of most of the remainder of the book is on optical properties, including intraband absorption, luminescence and recombination, Raman scattering, subband optical transitions, nonlinear effects, and ultrafast optical phenomena. The concluding chapter presents an overview of some of the applications that make use of the physics discussed. Appendices provide ackground information on band structure theoy, kinetic theory, electromagnetic modes, and Coulomb effects. Intended for graduate students, physicists, and engineers beginning research onsemiconductor heterostructures or interested in their