This volume collects research findings presented at the 8th Edition of the Electronic Structure: Principles and Applications (ESPA-2012) International Conference, held in Barcelona, Spain on June 26-29, 2012. The contributions cover research work on methods and fundamentals of theoretical chemistry, chemical reactivity, bimolecular modeling, and materials science. Originally published in the journal Theoretical Chemistry Accounts, these outstanding papers are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.

Advances in Polymer Science enjoys a longstanding tradition and good reputation in its community. Each volume is dedicated to a current topic, and each review critically surveys one aspect of that topic, to place it within the context of the volume. The volumes typically summarize the significant developments of the last 5 to 10 years and discuss them critically, presenting selected examples, explaining and illustrating the important principles, and bringing together many important references of primary literature. On that basis, future research directions in the area can be discussed. Advances in Polymer Science volumes thus are important references for every polymer scientist, as well as for other scientists interested in polymer science - as an introduction to a neighboring field, or as a compilation of detailed information for the specialist.

The behavior of nanoscale materials can change rapidly with time either because the environment changes rapidly or because the influence of the environment propagates quickly across the intrinsically small dimensions of nanoscale materials. Extremely fast time resolution studies using X-rays, electrons and neutrons are of very high interest to many researchers and is a fast-evolving and interesting field for the study of dynamic processes. Therefore, in situ structural characterization and measurements of structure-property relationships covering several decades of length and time scales (from atoms to millimeters and femtoseconds to hours) with high spatial and temporal resolutions are crucially important to understand the synthesis and behavior of multidimensional materials. The techniques described in this book will permit access to the real-time dynamics of materials, surface processes and chemical and biological reactions at various time scales. This book provides an interdisciplinary reference for research using in situ techniques to capture the real-time structural and property responses of materials to surrounding fields using electron, optical and x-ray microscopies (e.g. scanning, transmission and low-energy electron microscopy and scanning probe microscopy) or in the scattering realm with x-ray, neutron and electron diffraction.

This book mainly focuses on the theoretical and experimental study of non-Fourier heat conduction behavior. A novel thermomass theory is used as the theoretical basis, which provides a general heat conduction equation for the accurate prediction of non-Fourier heat conduction. In order to prove the validity of this thermomass theory, a large current was used to heat the metallic nanofilm at the minimum temperature of 3 K. The measured average temperature of the nanofilm was notably higher than the prediction of Fourier’s heat diffusion equation, while matching well with the general heat conduction equation. This is the first time that steady non-Fourier heat conduction has been observed. Moreover, this book concerns the role of electron-phonon interaction in metallic nanofilms, which involves the breakdown of the Wiedemann-Franz law at low temperatures and interfacial thermal resistance at femtosecond timescales. Readers will find useful information on non-Fourier heat conduction and the latest advances in the study of charge and heat transport in metallic nanofilms.

‘Micro-scaled Products Development via Microforming’ presents state-of-the-art research on microforming processes, and focuses on the development of micro-scaled metallic parts via microforming processes. Microforming refers to the fabrication of microparts via micro-scaled plastic deformation and  presents a promising micromanufacturing process. When compared to other  micromanufacturing processes, microforming offers advantages such as high productivity and good mechanical properties of the deformed microparts. This book provides extensive and informative illustrations, tables and photos in order to convey this information clearly and directly to readers. Although the knowledge of macroforming processes is abundant and widely used in industry, microparts cannot be developed by leveraging existing knowledge of macroforming because the size effect presents a barrier to this knowledge transfer. Therefore systematic knowledge of microforming needs to be developed. In tandem with product miniaturization, the demand on microparts has been increased for their wide applications in many industries, including automotive, bio-medical, aerospace and consumer electronics industries. Micromanufacturing technologies have thus become more and more important. This book is intended for postgraduates, manufacturing engineers and professionals working in the areas of manufacturing and materials processing.

Ellipsometry is the method of choice to determine the properties of surfaces and thin films. It provides comprehensive and sensitive characterization in contactless and non-invasive measurements. This book gives a state-of-the-art survey of ellipsometric investigations of organic films and surfaces, from laboratory to synchrotron applications, with a special focus on in-situ use in processing environments and at solid-liquid interfaces. In conjunction with the development of functional organic, meta- and hybrid materials for new optical, electronic, sensing and biotechnological devices and fabrication advances, the ellipsometric analysis of their optical and material properties has progressed rapidly in the recent years.

How can a scientist or engineer synthesize and utilize polymers to solve our daily problems? This introductory text, aimed at the advanced undergraduate or graduate student, provides future scientists and engineers with the fundamental knowledge of polymer design and synthesis to achieve specific properties required in everyday applications. In the first five chapters, this book discusses the properties and characterization of polymers, since designing a polymer initially requires us to understand the effects of chemical structure on physical and chemical characteristics. Six further chapters discuss the principles of polymerization reactions including step, radical chain, ionic chain, chain copolymerization, coordination and ring opening. Finally, material is also included on how commonly known polymers are synthesized in a laboratory and a factory. This book is suitable for a one semester course in polymer chemistry and does not demand prior knowledge of polymer science.

This book introduces the principles and techniques of crystal growth by the flux method, which is arguably the most useful way to obtain millimeter- to centimeter-sized single crystals for physical research. As it is possible to find an appropriate solvent ("flux") for nearly all inorganic materials, the flux method can be applied to the growth of many crystals ranging from transition metal oxides to intermetallic compounds. Both important principles and experimental procedures are described in a clear and accessible manner. Practical advice on various aspects of the experiment, which is not readily available in the literature, will assist the beginning graduate students in setting up the lab and conducting successful crystal growth. The mechanisms of crystal growth at an elementary level are also provided to better understand the techniques and to help in assessing the quality of the crystals. The book also contains many photographs of beautiful crystals with important physical properties of current interest, such as high-temperature superconductors, strongly correlated electronic systems, topological insulators, relaxor ferroelectrics, low-dimensional quantum magnets, non-linear optical materials, and multiferroics.

The book introduces the oscillatory reaction and pattern formation in the Belousov-Zhabotinsky (BZ) reaction that became model for investigating a wide range of intriguing pattern formations in chemical systems. So many modifications in classic version of BZ reaction have been carried out in various experimental conditions that demonstrate rich varieties of temporal oscillations and spatio-temporal patterns in non- equilibrium conditions. Mixed-mode versions of BZ reactions, which comprise a pair of organic substrates or dual metal catalysts, have displayed very complex oscillating behaviours and novel space-time patterns during reaction processes. These characteristic spatio-temporal properties of BZ reactions have attracted increasing attention of the scientific community in recent years because of its comparable periodic structures in electrochemical systems, polymerization processes, and non-equilibrium crystallization phenomena. Instead, non-equilibrium crystallization phenomena which lead to development of novel crystal morphologies in constraint of thermodynamic equilibrium conditions have been investigated and are said to be stationary periodic structures. Efforts have continued to analyze insight mechanisms and roles of reaction-diffusion mechanism and self-organization in the growth of such periodic crystal patterns. In this book, non-equilibrium crystallization phenomena, leading to growth of some novel crystal patterns in dual organic substrate modes of oscillatory BZ reactions have been discussed. Efforts have been made to find out experimental parameters where transitions of the spherulitic crystal patterns take place. The book provides the scientific community and entrepreneurs with a thorough understanding and knowledge of the growth and form of branched crystal pattern in reaction-diffusion system and their morphological transition.

The 2nd International Multidisciplinary Microscopy and Microanalysis Congress & Exhibition (InterM 2014) was held on 16–19 October 2014 in Oludeniz, Fethiye/ Mugla, Turkey. The aim of the congress was to gather scientists from various branches and discuss the latest improvements in the field of microscopy. The focus of the congress has been widened in an "interdisciplinary" manner, so as to allow all scientists working on several related subjects to participate and present their work. These proceedings include 33 peer-reviewed technical papers, submitted by leading academic and research institutions from over 17 countries and representing some of the most cutting-edge research available. The papers were presented at the congress in the following sessions: ·         Applications of Microscopy in the Physical Sciences ·         Applications of Microscopy in the Biological Sciences

Technical gases are used in almost every field of industry, science and medicine and also as a means of control by government authorities and institutions and are regarded as indispensable means of assistance. In this complete handbook of purified gases the physical foundations of purified gases and mixtures as well as their manufacturing, purification, analysis, storage, handling and transport are presented in a comprehensive way. This important reference work is accompanied with a large number of Data Sheets dedicated to the most important purified gases.

This volume describes the most recent findings on the structure of ILs interpreted through cutting-edge experimental and theoretical methods. Research in the field of ionic liquids (ILs) keeps a fast and steady pace. Since these new-generation molten salts first appeared in the chemistry and physics landscape, a large number of new compounds has been synthesized. Most of them display unexpected behaviour and possess stunning properties. The coverage in this book ranges from the mesoscopic structure of ILs to their interaction with proteins. The reader will learn how diffraction techniques (small and large angle X-Ray and neutron scattering, powder methods), X-Ray absorption spectroscopies (EXAFS/XANES), optical methods (IR, RAMAN), NMR and calorimetric methods can help the study of ILs, both as neat liquids and in mixtures with other compounds. It will enable the reader to choose the best method to suit their experimental needs. A detailed survey of theoretical methods, both quantum-chemical and classical, and of their predictive power will accompany the exposition of experimental ones. This book is a must read for postgraduate students, for post-docs, and for researchers who are interested in understanding the structural properties of ILs.

Mechanical Properties of Single Molecules and Polymer Aggregates Rudiger Berger, Kurt Binder, Gregor Diezemann, Jurgen Gauss, Mark Helm, Katharina Landfester, Wolfgang Paul (Halle), Peter Virnau. Optical Properties of Individual Molecular Aggregates and Nano Particles Thomas Basche, Hans-Jurgen Butt, Gregor Diezemann, Jurgen Gauss, Klaus Mullen, Harald Paulsen, Carsten Soennichsen, Rudolf Zentel. Structure Formation of Polymeric Building Blocks I: Self-assembly of Copolymers Kurt Binder, Holger Frey, Andreas Kilbinger (Univ. Fribourg), Ute Kolb, Michael Maskos (IMM Mainz), Wolfgang Paul (Univ. Halle), Hans Wolfgang Spiess. Structure Formation of Polymeric Building Blocks II: Complex Polymer Architectures Kurt Binder, Hans Jurgen Butt, Angelika Kuhnle, Klaus Mullen, Wolfgang Paul (Univ. Halle), Erwin Schmidt, Manfred Schmidt, Hans Wolfgang Spiess, Thomas Vilgis. Structure Formation of Polymeric Building Blocks III: Polymer Complexes in Biological Applications Kurt Kremer, Heiko Luhmann, Christine Peter, Friederike Schmid, Erwin Schmidt, Manfred Schmidt, Eva Sinner (Univ. of Natural Resources, Vienna), Tanja Weil (Univ. Ulm).

This thesis introduces a series of novel, non-conjugated polyarylether hosts that are not subject to the triplet-energy limitations of traditional conjugated polymer hosts. As a result of this major breakthrough, the long-standing problem of triplet energy back transfer has now been overcome, making it possible to design high-efficiency electrophosphorescent polymers (PhPs), especially the blue and all-phosphorescent white ones. In addition, the author proposes a spiro-linked hyperbranched architecture for PhPs to inhibit the undesired triplet energy back transfer process in low triplet-energy hosts. The work in this thesis provides vital new insights into the design of PhPs and has led to several publications in high-profile journals.

"Ceramic Materials: Science and Engineering" is an up-to-date treatment of ceramic science, engineering, and applications in a single, comprehensive text. Building on a foundation of crystal structures, phase equilibria, defects, and the mechanical properties of ceramic materials, students are shown how these materials are processed for a wide diversity of applications in today's society. Concepts such as how and why ions move, how ceramics interact with light and magnetic fields, and how they respond to temperature changes are discussed in the context of their applications. References to the art and history of ceramics are included throughout the text, and a chapter is devoted to ceramics as gemstones. This course-tested text now includes expanded chapters on the role of ceramicsin industry and their impact on the environment as well asa chapter devoted to applications of ceramic materials in clean energy technologies. Also new are expanded sets of text-specific homework problems and other resources for instructors. The revised and updated Second Editionis further enhanced with color illustrations throughout the text."

The idea of this monograph is to present the latest results related to experimental and numerical investigations of advanced materials and structures. The contributions cover the field of mechanical, civil and materials engineering, ranging from new modelling and simulation techniques, advanced analysis techniques, optimization of structures and materials and constitutive modelling. Well known experts present their research on damage and fracture of material and structures, materials modelling and evaluation up to image processing and visualization for advanced analyses and evaluation.

Mihai Stoica investigates in details the glass formation of two model alloys, [(Fe0.5Co0.5)0.75B0.2Si0.05]96Nb4 and Fe74Mo4P10C7.5B2.5Si2. More than 20 master alloys using different raw materials were prepared. Besides the typical calorimetry and X-Ray diffraction, magnetic measurements were employed to analyze the amorphicity degree of the sample. Two new bulk metallic glass-forming alloy compositions are designed and possible preparation routes are proposed.

Providing a comprehensive and invaluable overview of the basics of crystallographic textures and their industrial applications, this book covers a broad range of both structural and functional materials. It introduces the existing methods of representation in an accessible manner and presents a thorough overview of existing knowledge on texture of metallic materials. Texture analysis has widespread use in many industries, and provides crucial input towards the development of new materials and products. There has been rapid growth in the science and art of  texture analysis in the last few decades. Other topics addressed within this book include recent research on texture in thin films and non-metals, and the dependence of material properties on texture, and texture control in some engineering materials. This book constitutes an invaluable reference text for researchers and professionals working on texture analysis in metallurgy, materials science and engineering, physics and geology. By using content selectively, it is also highly accessible to undergraduate students.

This exhaustive work in three volumes with featuring cross-reference system provides a thorough overview of ultra-high temperature materials – from elements and chemical compounds to alloys and composites. Topics included are physical (crystallographic, thermodynamic, thermo-physical, electrical, optical, physico-mechanical, nuclear) and chemical (solid-state diffusion, interaction with chemical elements and compounds, interaction with gases, vapours and aqueous solutions) properties of the individual physico-chemical phases and multi-phase materials with melting (or sublimation) points over or about 2500 °C. The first volume focuses on carbon (graphite/graphene) and refractory metals (W, Re, Os, Ta, Mo, Nb, Ir). The second and third volumes are dedicated solely to refractory (ceramic) compounds (oxides, nitrides, carbides, borides, silicides) and to the complex materials – refractory alloys, carbon and ceramic composites, respectively. It will be of interest to researchers, engineers, postgraduate, graduate and undergraduate students in various disciplines alike. The reader is provided with the full qualitative and quantitative assessment for the materials, which could be applied in various engineering devices and environmental conditions at ultra-high temperatures, on the basis of the latest updates in the field of physics, chemistry, materials science, nanotechnology and engineering.  

This thesis presents an in-depth study on the effect of colloidal particle shape and formation mechanism on self-organization and the final crystal symmetries that can be achieved. It demonstrates how state-of-the-art X-ray diffraction techniques can be used to produce detailed characterizations of colloidal crystal structures prepared using different self-assembly techniques, and how smart systems can be used to investigate defect formation and diffusion in-situ. One of the most remarkable phenomena exhibited by concentrated suspensions of colloidal particles is the spontaneous self-organization into structures with long-range spatial and/or orientational orders. The study also reveals the subtle structural variations that arise by changing the particle shape from spherical to that of a rounded cube. In particular, the roundness of the cube corners, when combined with the self-organization pathway, convective assembly or sedimentation, was shown to influence the final crystal symmetries.

Synchrotron radiation is today extensively used for fundamental and applied research in many different fields of science. Its exceptional characteristics in terms of intensity, brilliance, spectral range, time structure and now also coherence pushed many experimental techniques to previously un-reachable limits, enabling the performance of experiments unbelievable only few years ago. The book gives an up-to-date overview of synchrotron radiation research today with a view to the future, starting from its generation and sources, its interaction with matter, illustrating the main experimental technique employed and provides an overview of the main fields of research in which new and innovative results are obtained. The book is addressed to PhD students and young researchers to provide both an introductory and a rather deep knowledge of the field. It will also be helpful to experienced researcher who want to approach the field in a professional way.

This book summarizes the main methods of experimental stress analysis and examines their application to various states of stress of major technical interest, highlighting aspects not always covered in the classic literature. It is explained how experimental stress analysis assists in the verification and completion of analytical and numerical models, the development of phenomenological theories, the measurement and control of system parameters under operating conditions, and identification of causes of failure or malfunction. Cases addressed include measurement of the state of stress in models, measurement of actual loads on structures, verification of stress states in circumstances of complex numerical modeling, assessment of stress-related material damage, and reliability analysis of artifacts (e.g. prostheses) that interact with biological systems. The book will serve graduate students and professionals as a valuable tool for finding solutions when analytical solutions do not exist.

This book deals with dynamics of pre-stressed or pre-strained bi-material elastic systems consisting of stack of pre-stressed layers, stack of pre-stressed layers and pre-stressed half space (or half plane), stack of pre-stressed layers as well as absolute rigid foundation, pre-stressed compound solid and hollow cylinders and pre-stressed sandwich hollow cylinders. The problems considered in the book relate to the dynamics of a moving and oscillating moving load, forced vibration caused by linearly located or point located time-harmonic forces acting to the foregoing systems. Moreover, a considerable part of the book relate to the problems regarding the near surface, torsional and axisymmetric longitudinal waves propagation and dispersion in the noted above bi-material elastic systems. The book carries out the investigations within the framework of the piecewise homogeneous body model with the use of the Three-Dimensional Linearized Theory of Elastic Waves in Initially Stressed Bodies.

The purpose of this book, Transport Phenomena and Drying of Solids and Particulate Materials, is to provide a collection of recent contributions in the field of heat and mass transfer, transport phenomena, drying and wetting of solids and particulate materials. The main benefit of the book is that it discusses some of the most important topics related to the heat and mass transfer in solids and particulate materials. It includes a set of new developments in the field of basic and applied research work on the physical and chemical aspects of heat and mass transfer phenomena, drying and wetting processes, namely, innovations and trends in drying science and technology, drying mechanism and theory, equipment, advanced modelling, complex simulation and experimentation. At the same time, these topics will be going to the encounter of a variety of scientific and engineering disciplines. The book is divided in several chapters that intend to be a resume of the current state of knowledge for benefit of professional colleagues.

This thesis describes novel approaches and implementation of high-resolution microscopy in the extreme ultraviolet light regime. Using coherent ultrafast laser-generated short wavelength radiation for illuminating samples allows imaging beyond the resolution of visible-light microscopes. Michael Zürch gives a comprehensive overview of the fundamentals and techniques involved, starting from the laser-based frequency conversion scheme and its technical implementation as well as general considerations of diffraction-based imaging at nanoscopic spatial resolution. Experiments on digital in-line holography and coherent diffraction imaging of artificial and biologic specimens are demonstrated and discussed in this book. In the field of biologic imaging, a novel award-winning cell classification scheme and its first experimental application for identifying breast cancer cells are introduced. Finally, this book presents a newly developed technique of generating structured illumination by means of so-called optical vortex beams in the extreme ultraviolet regime and proposes its general usability for super-resolution imaging.