Grain boundaries are a main feature of crystalline materials. They play a key role in determining the properties of materials, especially when grain size decreases and even more so with the current improvements of processing tools and methods that allow us to control various elements in a polycrystal.
This book presents the theoretical basis of the study of grain boundaries and aims to open up new lines of research in this area. The treatment is light on mathematical approaches while emphasizing practical examples; the issues they raise are discussed with reference to theories. The general approach of the book has two main goals: to lead the reader from the concept of 'ideal' to 'real' grain boundaries;
to depart from established knowledge and address the opportunities emerging through "grain boundary engineering," the control of morphological and crystallographic features that affect material properties.

The book is divided in three parts:
I 'From interganular order to disorder' deals with the concept of the perfect grain boundary, at equilibrium, and questions the maintenance of its crystalline state.
II 'From the ideal to the real grain boundary' deals with the concept of the faulted grain boundary. It attempts to reveal the influence of the grain boundary structure on its defects, their formation and their accommodation.
III 'From free to constrained grain boundaries' is devoted to grain boundary ensembles starting from the triple junction (the elemental configuration) to real grain boundary networks in polycrystals

This part covers a new and topical development in the field. It presents for the first time an avenue for researchers working on macroscopic aspects, to approach the scale of description of grain boundaries.

Audience: graduate students, researchers and engineers in Materials Science and all those scientists pursuing grain boundary engineering in order to improvematerials performance.

Familiar combinations of ingredients and processing make the structures that give food its properties. For example in ice cream, the emulsifiers and proteins stabilize partly crystalline milk fat as an emulsion, freezing (crystallization) of some of the water gives the product its hardness and polysaccharide stabilizers keep it smooth. Why different recipes work as they do is largely governed by the rules of physical chemistry. This textbook introduces the physical chemistry essential to understanding the behavior of foods. Starting with the simplest model of molecules attracting and repelling one another while being moved by the randomizing effect of heat, the laws of thermodynamics are used to derive important properties of foods such as flavor binding and water activity. Most foods contain multiple phases and the same molecular model is used to understand phase diagrams, phase separation and the properties of surfaces. The remaining chapters focus on the formation and properties of specific structures in foods - crystals, polymers, dispersions and gels. Only a basic understanding of food science is needed, and no mathematics or chemistry beyond the introductory college courses is required. At all stages, examples from the primary literature are used to illustrate the text and to highlight the practical applications of physical chemistry in food science.

The NATO ARW "Molecular Self-Organization in Micro-, Nano-, and Macro- Dimensions: From Molecules to Water, to Nanoparticles, DNA and Proteins" to commemorate Professor Alexander S. Davydov was held in Kiev, Ukraine, on 8-12 June, 2008, at the Bogolyubov Institute for Theoretical Physics of the National Academy of Sciences of Ukraine. Theobjective ofthisNATOARWistounveilandformulatetheprincipalfeatures that govern myriads of the molecular self-organization processes in micro-, nano-, and macro-dimensions from the following key representatives such as liquid - ter and aqueous solutions, and molecular liquids, nanodots, nanoparticles including gold, solitons, biomolecules such as DNA and proteins, biopolymers and bios- sors, catalysis, molecular modeling, molecular devices, and thin ?lms, and to offer another, more advanced directions in computational, experimental, and technolo- cal areas of nano- and bioscience towards engineering novel and powerful molecular self-organized assemblies with tailored properties. Nanoscience is indeed one of the most important research and development fr- tiers in modern science. Simplistically, nanoscience is the science of small particles of materials of a size of nanometre. Molecular nanoscience and nanotechnology have brought to us the unprecedented experimental control of the structure of matter with novel extraordinary properties that open new horizons and new opportunities, and new ways to make things, particularly in our everyday life, to heal our bodies, and to care of the environment. Unfortunately, they have also brought unwelcome advances in weaponry and opened yet more ways to foul up the world on an en- mous scale.

The aim of Molecular and Nano Electronics: Analysis, Design and Simulation is to draw together contributions from some of the most active researchers in this new field in order to illustrate a theory guided-approach to the design of molecular and nano-electronics. The field of molecular and nano-electronics has driven solutions for a post microelectronics era, where microelectronics dominate through the use of silicon as the preferred material and photo-lithography as the fabrication technique to build binary devices (transistors). The construction of such devices yields gates that are able to perform Boolean operations and can be combined with computational systems, capable of storing, processing, and transmitting digital signals encoded as electron currents and charges. Since the invention of the integrated circuits, microelectronics has reached increasing performances by decreasing strategically the size of its devices and systems, an approach known as scaling-down, which simultaneously allow the devices to operate at higher speeds.
* Provides a theory-guided approach to the design of molecular and nano-electronics
* Includes solutions for researchers working in this area
* Contributions from some of the most active researchers in the field of nano-electronics

"Ionic liquids will never find application in industry", "I don't understand this fad for ionic liquids" and "there is no widespread interest in these systems" are just three of quotes from the reports of referees for research proposals that I have received over the years. I wonder what these people think today. There are currently at least nine large-scale industrial uses of ionic liquids, including, we now rec- nise, the production of ?-Caprolactam (a monomer for the production of nylon-6) [1]. There has been a steady increase in the interest in ionic liquids for well over a decade and last year the number of papers and patents including ionic liquids was counted in the thousands. This remarkable achievement has been built on the hard work and enthusiasm, first of a small band of devotees, but now of huge numbers of scientists all over the world who do not see themselves as specialists in ionic liquids. The ionic liquids field continues to develop at an incredible rate. No sooner do I think that I am on top of the literature than it turns out that a whole new area of work has emerged without me noticing. Things that were once supposedly impos- 1 sible in ionic liquids, such as measuring the H NMR of solutes, are now widely applicable (see Chapter 8). Hence, collected volumes such as this are very w- come.

This book provides a rigorous treatment of the coupling of chemical reactions and fluid flow. Combustion-specific topics of chemistry and fluid mechanics are considered and tools described for the simulation of combustion processes. This edition is completely restructured. Mathematical Formulae and derivations as well as the space-consuming reaction mechanisms have been replaced from the text to appendix. A new chapter discusses the impact of combustion processes on the atmosphere, the chapter on auto-ignition is extended to combustion in Otto- and Diesel-engines, and the chapters on heterogeneous combustion and on soot formation are heavily revised.

Discover why olefin metathesis has asserted itself as a powerful strategy for obtaining fine chemicals, biologically active compounds, architecturally complex assemblies, new materials, and functionalized polymers. This volume compiles all the latest trends in olefin metathesis. In particular, you ll learn how olefin metathesis has growing potential for the development of sustainable technologies with many possible industrial applications.

This book gathers 12 outstanding contributions that reflect state-of-the-art industrial applications of fluorescence, ranging from the pharmaceutical and cosmetics industries to explosives detection, aeronautics, instrumentation development, lighting, photovoltaics, water treatment and much more. In the field of fluorescence, the translation of research into important applications has expanded significantly over the past few decades. The 18th volume in the Springer Series on Fluorescence fills an important gap by focusing on selected industrial applications of fluorescence, described in contributions by both industry-based researchers and academics engaged in collaborations with industrial partners.

The book deals with atomistic properties of solids which are determined by the crystal structure, interatomic forces and atomic displacements influenced by the effects of temperature, stress and electric fields. The book gives equal importance to experimental details and theory. There are full chapters dedicated to the tensor nature of physical properties, mechanical properties, lattice vibrations, crystal structure determination and ferroelectricity. The other crystalline states like nano-, poly-, liquid- and quasi crystals are discussed. Several new topics like nonlinear optics and the Rietveld method are presented in the book. The book lays emphasis on the role of symmetry in crystal properties. Comprehensiveness is the strength of the book; this allows users at different levels a choice of chapters according to their requirements.

This book is intended to present for the first time experimental methods to measure equilibria states of pure and mixed gases being adsorbed on the surface of solid materials. It has been written for engineers and scientists from industry and academia who are interested in adsorption based gas separation processes and/or in using gas adsorption for characterization of the porosity of solid materials. This book is the result of a fruitful collaboration of a theoretician (JUK) and an experimentalist (RS) over more than twelve years in the field of gas adsorption systems at the Institute of Fluid- and Thermodynamics (IFT) at the University of Siegen, Siegen, Germany. This collaboration resulted in the development of several new methods to measure not only pure gas adsorption, but gas mixture or coadsorption equilibria on inert porous solids. Also several new theoretical results could be achieved leading to new types of so-called adsorption isotherms based on the concepts of molecular association and - phenomenologically speaking - on that of thermodynamic phases of fractal dimension. Naturally, results of international collaboration of the authors over the years (1980-2000) also are included.

I: Perfumery as An Art.- 1: The Art of Perfumery.- II: Perfumery as A Topic in Life Sciences.- 2: Odours and Perfumes as a System of Signs.- 3: Semiochemicals: Mevalogenins in Systems of Chemical Communication.- 4: Origin of Natural Odorants.- 5: A Consideration of Some Psychological and Physiological Mechanisms of Odor Perception.- III: Trapping and Measuring of Odours.- 6: The Measuring of Odors.- 7: Trapping, Investigation and Reconstitution of Flower Scents.- IV: Classification of Odours.- 8: Empirical Classification of Odours.- 9: Chemical Classification and Structure-Odour Relationships.- V: Compository Techniques and Application Segments.- 10: Creative Perfumery: Composition Techniques.- 11: Support Materials for Odorant Mixtures.- 12: Perfumery Applications: Functional Products.- 13: The Impact of Market Research.- VI: Production of Perfumes.- 14: The Chemistry of Synthetic Raw Materials Production.- 15: Compounding.- 16: The Toxicology and Safety of Fragrances.- 17: The Fragrance Industry in a Changing World.- VII: Topics in Perfumery Research.- 18: Receptors: Current Status and Future Directions.- 19: Natural Products.- 20: Synthetic Products.- Outlook.- List of Contributors.

This book presents an overview of recent advances in our understanding of the genesis of diamonds and the associated phases. It is divided into three main parts, starting with an introduction to the analysis of diamond inclusions to infer the formation processes. In turn, the second part of the book presents high-pressure experimental studies in mantle diamond-parental mineral systems with representative multicomponent boundary compositions. The experimental syngenesis phase diagrams provided reveal the physicochemical mechanisms of diamond nucleation and substantiate the mantle-carbonatite concept of the genesis of diamonds and associated phases. Lastly, the book describes the genetic classification of diamond-hosted mineral inclusions and experimentally determined RE "mineral-parental melt" partition coefficients. The physicochemical experimental evidence presented shows the driving forces behind the fractional evolution of the mantle magmas and diamond-parental melts. Given the depth and breadth of its coverage, the book offers researchers essential new insights into the ways diamonds and associated minerals and rocks are naturally created.

This book is a pedagogical presentation of the application of spectral and pseudospectral methods to kinetic theory and quantum mechanics. There are additional applications to astrophysics, engineering, biology and many other fields. The main objective of this book is to provide the basic concepts to enable the use of spectral and pseudospectral methods to solve problems in diverse fields of interest and to a wide audience. While spectral methods are generally based on Fourier Series or Chebychev polynomials, non-classical polynomials and associated quadratures are used for many of the applications presented in the book. Fourier series methods are summarized with a discussion of the resolution of the Gibbs phenomenon. Classical and non-classical quadratures are used for the evaluation of integrals in reaction dynamics including nuclear fusion, radial integrals in density functional theory, in elastic scattering theory and other applications. The subject matter includes the calculation of transport coefficients in gases and other gas dynamical problems based on spectral and pseudospectral solutions of the Boltzmann equation. Radiative transfer in astrophysics and atmospheric science, and applications to space physics are discussed. The relaxation of initial non-equilibrium distributions to equilibrium for several different systems is studied with the Boltzmann and Fokker-Planck equations. The eigenvalue spectra of the linear operators in the Boltzmann, Fokker-Planck and Schroedinger equations are studied with spectral and pseudospectral methods based on non-classical orthogonal polynomials. The numerical methods referred to as the Discrete Ordinate Method, Differential Quadrature, the Quadrature Discretization Method, the Discrete Variable Representation, the Lagrange Mesh Method, and others are discussed and compared. MATLAB codes are provided for most of the numerical results reported in the book - see Link under 'Additional Information' on the the right-hand column.

This book is written for scientists involved in the calibration of viscometers. A detailed description for stepping up procedures to establish the viscosity scale and obtaining sets of master viscometers is given in the book. Uncertainty considerations for standard oils of known viscosity are presented. The modern viscometers based on principles oftuning fork, ultrasonic, PZT, plate waves, Love waves, micro-cantilever and vibration of optical fiber are discussed to inspire the reader to further research and to generate improved versions. The primary standard for viscosity is pure water. Measurements of its viscosity with accuracy/uncertainty achieved are described. The principles of rotational and oscillation viscometers are explained to enhance the knowledge in calibration work. Devices used for specific materials and viscosity in non SI units are discussed with respect to the need to correlate viscosity values obtained by various devices. The description of commercial viscometers meets the needs of the user."

Ionic Surfactants and Aqueous Solutions: Biomolecules, Metals and Nanoparticles covers a wide range of subjects related to aqueous systems, from reverse micelles as ion exchangers to the study of micellar phase transfer catalysis for nucleophilic substitution reactions. The diverse background, expertise and professional interests of the contributors to this book give to it a unique richness of approach in topics of relevance for biotechnology and environmental studies. Over sixty publications presenting research results are combined and expanded in this book by some of the original researchers. At a mature age, and at the summit of successful professional careers, they have taken a second look to the state of the art in the fields that they had pioneered. Eva Rodil and Ana Soto, who had their research formation in the group of Professor Alberto Arce at Universidade de Santiago de Compostela, Spain, are presently professors at that university, Maen Husein is a professor at University of Calgary, Canada. Remy Dumortier, Mohammad Khoshkbarchi, Hamid Rabie and Younok Dumortier Shin, are presently active leaders in the industrial world in Canada and the USA. The editors are retired academics from McGill University, Montreal, Canada, and coauthors of the book Classical Thermodynamics of Fluid Systems.

Chirality and stereogenicity are closely related concepts and their differentiation and description is still a challenge in chemoinformatics. In his 2015 book, Fujita developed a new stereoisogram approach that provided theoretical framework for mathematical aspects of modern stereochemistry. This new edition includes a new chapter on Computer-Oriented Representations developed by the author based on Groups, Algorithms, Programming (GAP) system.

This work establishes linear-scaling density-functional theory (DFT) as a powerful tool for understanding enzyme catalysis, one that can complement quantum mechanics/molecular mechanics (QM/MM) and molecular dynamics simulations. The thesis reviews benchmark studies demonstrating techniques capable of simulating entire enzymes at the ab initio quantum-mechanical level of accuracy. DFT has transformed the physical sciences by allowing researchers to perform parameter-free quantum-mechanical calculations to predict a broad range of physical and chemical properties of materials. In principle, similar methods could be applied to biological problems. However, even the simplest biological systems contain many thousands of atoms and are characterized by extremely complex configuration spaces associated with a vast number of degrees of freedom. The development of linear-scaling density-functional codes makes biological molecules accessible to quantum-mechanical calculation, but has yet to resolve the complexity of the phase space. Furthermore, these calculations on systems containing up to 2,000 atoms can capture contributions to the energy that are not accounted for in QM/MM methods (for which the Nobel prize in Chemistry was awarded in 2013) and the results presented here reveal profound shortcomings in said methods.

This corrected and expanded printing of Thin Films on Glass describes the development of active and passive thin films on glass at Schott, including recent developments and new technologies in glass ceramic reflectors, coatings on plastics and optical multilayers for ultra narrow band pass filters. Design strategies, the use of conventional and newly developed production technologies, and the application of characterization methods for the structure of thin films and their properties are reported. The book is written by Schott experts and illustrates how the best film materials and deposition and processing parameters may be selected. The topics covered include flip-flop layers, wave-guiding films, Rugate filters and gradient devices, optical transducers, coatings, and mirrors.  

This thesis explores the dispersion stability, microstructure and phase transitions involved in the nanoclay system. It describes the recently discovered formation of colloidal gels via two routes: the first is through phase separation and second is by equilibrium gelation and includes the first reported experimental observation of a system with high aspect ratio nanodiscs. The phase behavior of anisotropic nanodiscs of different aspect ratio in their individual and mixed states in aqueous and hydrophobic media is investigated. Distinct phase separation, equilibrium fluid and equilibrium gel phases are observed in nanoclay dispersions with extensive aging. The work then explores solution behavior, gelation kinetics, aging dynamics and temperature-induced ordering in the individual and mixed states of these discotic colloids. Anisotropic ordering dynamics induced by a water-air interface, waiting time and temperature in these dispersions were studied in great detail along with aggregation behavior of nanoplatelets in hydrophobic environment of alcohol solutions.

This work represents one of the first comprehensive attempts to seamlessly integrate two highly active interdisciplinary domains in soft matter science - microfluidics and liquid crystals (LCs). Motivated by the lack of fundamental experiments, Dr. Sengupta initiated systematic investigation of LC flows at micro scales, gaining new insights that are also suggestive of novel applications. By tailoring the surface anchoring of the LC molecules and the channel dimensions, different topological constraints were controllably introduced within the microfluidic devices. These topological constraints were further manipulated using a flow field, paving the way for Topological Microfluidics. Harnessing topology on a microfluidic platform, as described in this thesis, opens up capabilities beyond the conventional viscous-dominated microfluidics, promising potential applications in targeted delivery and sorting systems, self-assembled motifs, and novel metamaterial fabrications.

The second edition of Gesser's classic Applied Chemistry includes updated versions of the original 16 chapters plus two new chapters on semiconductors and nanotechnology. This textbook introduces chemistry students to the applications of their field to engineering design and function across a wide range of subjects, from fuels and polymers to electrochemistry and water treatment. Each chapter concludes with a reading list of relevant books and articles as well as a set of exercises which include problems that extend the topics beyond the text. Other supplements to the text include a laboratory section with step-by-step experiments and a solutions manual for instructors.

This book begins with an introductory chapter summarizing the history of fluid mechanics. It then moves on to the essential mathematics and physics needed to understand and work in fluid mechanics. Analytical treatments are based on the Navier-Stokes equations.

This book is the first comprehensive work to be published on far-ultraviolet (FUV) and deep-ultraviolet (DUV) spectroscopy, subjects of keen interest because new areas of spectroscopy have been born in the FUV and DUV regions. For example, FUV spectroscopy in condensed matter has become possible due to the development of attenuated total reflection/FUV spectroscopy. As other examples, DUV surface-enhanced Raman scattering and DUV tip-enhanced Raman scattering have received great attention. Imaging by DUV spectroscopy has also become an area of interest. More recently, FUV and DUV spectroscopy have shown potential for applications in several fields including industry. All these topics are described in this book. Doctoral students and researchers in universities and national research institutes as well as researchers in various industries will find this volume highly useful.

This book describes hydration structures of proteins by combining experimental results with theoretical considerations. It is designed to introduce graduate students and researchers to microscopic views of the interactions between water and biological macromolecules and to provide them with an overview of the field. Topics on protein hydration from the past 25 years are examined, most of which involve crystallography, fluorescence measurements, and molecular dynamics simulations. In X-ray crystallography and molecular dynamics simulations, recent advances have accelerated the study of hydration structures over the entire surface of proteins. Experimentally, crystal structure analysis at cryogenic temperatures is advantageous in terms of visualizing the positions of hydration water molecules on the surfaces of proteins in their frozen-hydrated crystals. A set of massive data regarding hydration sites on protein surfaces provides an appropriate basis, enabling us to identify statistically significant trends in geometrical characteristics. Trajectories obtained from molecular dynamics simulations illustrate the motion of water molecules in the vicinity of protein surfaces at sufficiently high spatial and temporal resolution to study the influences of hydration on protein motion. Together with the results and implications of these studies, the physical principles of the measurement and simulation of protein hydration are briefly summarized at an undergraduate level. Further, the author presents recent results from statistical approaches to characterizing hydrogen-bond geometry in local hydration structures of proteins. The book equips readers to better understand the structures and modes of interaction at the interface between water and proteins. Referred to as "hydration structures", they are the subject of much discussion, as they may help to answer the question of why water is indispensable for life at the molecular and atomic level.