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Chemistry from First Principles

This book examines the appearance of matter in its most primitive form, from the vacuum and the diversity that results from the fusion of elementary units in the genesis of atomic matter; considers the empirical rules of chemical affinity that regulate the synthesis and properties of molecular matter; analyzes the compatibility of the theories of chemistry with the quantum and relativity theories of physics; formulates a consistent theory, based on clear physical pictures and manageable mathematics, to account for chemical concepts such as the structure and stability of atoms and molecules, the periodicity of nuclides and elements, valence states, activation and chemical reactivity, electronegativity and general covalency, the exclusion principle, electronic energy, orbital angular momentum and spin in relation to molecular shape, torsional rigidity, chirality and molecular modeling; explains the self-similarity between space-time, nuclear structure, covalent assembly, biological growth, planetary systems and galactic conformation.

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Charged Particle Traps : Physics and Techniques of Charged Particle Field Confinement

This book provides an introduction and guide to modern advances in charged particle (and antiparticle) confinement by electromagnetic fields. Confinement in different trap geometries, the influence of trap imperfections, classical and quantum mechanical description of the trapped particle motion, different methods of ion cooling to low temperatures, and non-neutral plasma properties (including Coulomb crystals) are the main subjects. They form the basis of such applications of charged particle traps as high-resolution optical and microwave spectroscopy, mass spectrometry, atomic clocks, and, potentially, quantum computing.

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Characterization of Corrosion Products on Steel Surfaces

It is well known that corrosion products, i.e. rust, on iron and steel surfaces cannot be assigned a typical crystallographic structure with long-range order. In fact, the structure of rust is considered to be very complicated, and some forms of rust are assigned to the amorphous state for this reason. Accurate information about the atomic-scale structure of rust is important to shed light on corrosion mechanisms of metallic materials. And, since life of steel structures is often dominated by environmental degradation or corrosion of the surface, the structure of the rust formed on iron and steel surfaces during prolonged exposure to air is of great interest. This book describes the fundamental aspects of materials characterization for the ferric oxyhydroxides formed on steel surfaces.

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Chalcogenocarboxylic acid derivatives

Chalcogenocarboxylic acid derivatives are a large class of compounds including more than one chalcogenocarboxyl group in which one or two oxygen atoms of the carboxyl group are replaced with sulfur, selenium or tellurium atoms. The chemistry of metal chalcogenocarboxylates has not been explored extensively as that of carboxylates and dithiocarbamates. This volume presents a comprehensive overview of the syntheses and their limitations, structures and reactions of chalcogenocarboxylic acid derivatives, by emphasizing the developments in organic and inorganic chalcogen chemistry over the last 5 to 20 years.

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Cathodic Arcs : From Fractal Spots to Energetic Condensation

Cathodic Arcs: From Fractal Spots to Energetic Condensation is the first book in over a decade dedicated to the physics and technology of cathodic arcs. It includes a detailed account of arc history, a textbook-like introduction to cathode phenomena, and some basic physics of expanding plasmas; it deals with the infamous macroparticle issue and describes a host of practical plasma filter solutions. In contrast to previous books on cathodic arcs, the focus is on the relation of arc plasmas and their properties to surface modification and thin film deposition. The book contains sections on basic plasma physics and thin film materials science. It also deals with practical issues of coatings such as stress control and the often-underrated issue of the coating’s color. By stressing the fractal nature of cathode spots, the theme of fluctuations can be found throughout the book: fluctuations affect all plasma properties and thereby have consequences for plasma-based surface modifications and film growth.

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Carbon Nanotubes : From Basic Research to Nanotechnology

A nanotube can bend easily but still is very robust. The nanotubes can be manipulated and contacted to external electrodes. Their diameter is in the nanometer range, whereas their length may exceed several micrometers, if not several millimeters. In diameter, the nanotubes behave like molecules with quantized energy levels, while in length, they behave like a crystal with a continuous distribution of momenta. Depending on its exact atomic structure, a single-wall nanotube –that is to say a nanotube composed of just one rolled-up graphene sheet– may be either a metal or a semiconductor. The nanotubes can carry a large electric current, they are also good thermal conductors.

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Bulk Metallic Glasses : An Overview

Bulk Metallic Glasses explores an emerging field of materials known as bulk metallic glasses. It summarizes the rapid development of these materials over the last decade and includes documentation on diverse applications of bulk metallic glasses; from structural applications to microcomponents. Some of the applications covered are pressure sensors, microgears for motors, magnetic cores for power supplies, and nano-dies for replacing next generation DVDs. The chapters cover current theories and recent research including an atomistic theory of local topological fluctuations, atomistic simulations, and unique microstructures of these amorphous materials. Other topics include glass formation, glass forming ability, and the underlying mechanisms and physical insights of these criteria. The mechanical deformation of bulk metallic glasses, fatigue, fracture, and corrosion behaviors of these materials are also reviewed.

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Biomineralization II : Mineralization Using Synthetic Polymers and Templates

In nature, biological organisms produce mineralized tissues such as bone, teeth, diatoms, and shells. Biomineralization is the sophisticated process of production of these inorganic minerals by living organisms. Construction of organic–inorganic hybrid materials with controlled mineralization analogous to those produced by nature has recently received much attention because it can aid in understanding the mechanisms of the biomineralization process and development of biomimetic materials processing. The biomineralization processes use aqueous solutions at temperatures below 100 ◦C and no toxic intermediates are produced in these systems. This series presents critical reviews of the present position and future trends in modern chemical research. The short and concise reports on chemistry are each written by world renowned experts. This series is still valid and useful after 5 or 10 years.

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Biomineralization I : Crystallization and Self-Organization Process

The five chapters of Biomineralization, volume 1, provide a bridge between the mineralogy and the organic substrates that enable the mineral formation by organisms in nature and under laboratory conditions. The book is a most useful reference for all concerned with biomineralization and biogenic minerals.In nature, biological organisms produce mineralized tissues such as bone, teeth, diatoms, and shells. Biomineralization is the sophisticated process of production of these inorganic minerals by living organisms. Construction of organic–inorganic hybrid materials with controlled mineralization analogous to those produced by nature has recently received much attention because it can aid in understanding the mechanisms of the biomineralization process and development of biomimetic materials processing.

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Biology and mechanics of blood flows ; Part II : Mechanics and medical aspects

Biology and Mechanics of Blood Flows presents the basic knowledge and state-of-the-art techniques necessary to carry out investigations of the cardiovascular system using modeling and simulation. Part II of this two-volume sequence, Mechanics and Medical Aspects, refers to the extraction of input data at the macroscopic scale for modeling the cardiovascular system, and complements Part I, which focuses on nanoscopic and microscopic components and processes. This volume contains chapters on anatomy, physiology, continuum mechanics, as well as pathological changes in the vasculature walls including the heart and their treatments. Methods of numerical simulations are given and illustrated in particular by application to wall diseases. This authoritative book will appeal to any biologist, chemist, physicist, or applied mathematician interested in the functioning of the cardiovascular system.

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Atoms, molecules and photons : An introduction to atomic- molecular- and quantum physics

This introduction to Atomic and Molecular Physics explains how our present model of atoms and molecules has been developed over the last two centuries both by many experimental discoveries and, from the theoretical side, by the introduction of quantum physics to the adequate description of micro-particles. It illustrates the wave model of particles by many examples and shows the limits of classical description. The interaction of electromagnetic radiation with atoms and molecules and its potential for spectroscopy is outlined in more detail and in particular lasers as modern spectroscopic tools are discussed more thoroughly. Many examples and problems with solutions are offered to encourage readers to actively engage in experimentation.

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Atomistic modeling of materials failure

Atomistic Modeling of Materials Failure is an introduction to molecular and atomistic modeling techniques applied to solid deformation and fracture. Focusing on a variety of brittle, ductile and geometrically confined materials, this detailed overview includes computational methods at the atomic scale, and describes how these techniques can be used to model the dynamics of cracks, dislocations and other deformation mechanisms.

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Atomistic approaches in modern biology : From quantum chemistry to molecular simulations

This volume of Topics in Current Chemistry presents an overview of atomistic theoreticalmethodsapplied tomolecular biologicalsystems. Itthus repesents abottom-upview of chemistryonbiologyfroma theoreticalperspective. The chapters arearrangedsuchthat important issuesareconsidered startingfrom a quantum mechanical perspective and proceeding to a molecular mechanics and molecular dynamics descriptiono fthemotionoftheelementaryparticles involved.which are responsible for the properties and function of biomolecules. Depending on the length and time scales relevant for a given phenomenon to be investigated, tailored theoretical methods are required to account for these. If one is interested in large scale motions of molecules, a molecul- mechnanics-based description willbeappropriate.

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Atomic structure theory : Lectures on atomic physics

This is a textbook for students with a background in quantum mechanics. The text is designed to give hands-on experience with atomic structure calculations. Material covered includes angular momentum methods, the central field Schrödinger and Dirac equations, Hartree-Fock and Dirac-Hartree-Fock equations, multiplet structure, hyperfine structure, the isotope shift, dipole and multipole transitions, basic many-body perturbation theory, configuration interaction, and correlation corrections to matrix elements.

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Atomic spectroscopy : Introduction to the theory of hyperfine structure

Atomic Spectroscopy provides a comprehensive discussion on the general approach to the theory of atomic spectra, based on the use of the Lagrangian canonical formalism. This approach is developed and applied to explain the hydrogenic hyperfine structure associated with the nucleus motion, its finite mass, and spin. The non-relativistic or relativistic, spin or spin-free particle approximations can be used as a starting point of general approach. The special attention is paid to the theory of Lamb shift formation. The formulae for hydrogenic spectrum including the account of Lamb shift are written in simple analytical form. The book is of interest to specialists, graduate and postgraduate students, who are involved into the experimental and theoretical research in the field of modern atomic spectroscopy.

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Atomic Force Microscopy, Scanning Nearfield Optical Microscopy and Nanoscratching : Application to Rough and Natural Surfaces

Making a clear distinction is made between nano- and micro-mechanical testing for physical reasons, this monograph describes the basics and applications of the supermicroscopies AFM and SNOM, and of the nanomechanical testing on rough and technical natural surfaces in the submicron range down to a lateral resolution of a few nm. New or improved instrumentation, new physical laws and unforeseen new applications in all branches of natural sciences (around physics, chemistry, mineralogy, materials science, biology and medicine) and nanotechnology are covered as well as the sources for pitfalls and errors.

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Atomic and Nuclear Analytical Methods : XRF, Mössbauer, XPS, NAA and Ion-Beam Spectroscopic Techniques

This book is a blend of analytical methods based on the phenomenon of atomic and nuclear physics. It comprises comprehensive presentations about X-ray Fluorescence (XRF), Mössbauer Spectroscopy (MS), X-ray Photoelectron Spectroscopy (XPS), Neutron- Activation Analysis (NAA), Particle Induced X-ray Emission Analysis (PIXE), Rutherford Backscattering Analysis (RBS), Elastic Recoil Detection (ERD), Nuclear Reaction Analysis (NRA), Particle Induced Gamma-ray Emission Analysis (PIGE), and Accelerator Mass Spectrometry (AMS). These techniques are commonly applied in the fields of medicine, biology, environmental studies, archaeology or geology et al. and pursued in major international research laboratories.

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Applied scanning probe methods IV : Industrial applications

The sc- ning probes emerged as a new - strument for imaging with a p- cision suf?cient to delineate single atoms. At first there were two – the Scanning Tunneling Microscope, or STM, and the Atomic Force Mic- scope, or AFM. The STM relies on electrons tunneling between tip and sample whereas the AFM depends on the force acting on the tip when it was placed near the sample. These were quickly followed by the M- netic Force Microscope, MFM, and the Electrostatic Force Microscope, EFM. The MFM will image a single magnetic bit with features as small as 10nm. With the EFM one can monitor the charge of a single electron.

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Applied scanning probe methods III : Characterization

The sc- ning probes emerged as a new - strument for imaging with a p- cision suf?cient to delineate single atoms. At first there were two – the Scanning Tunneling Microscope, or STM, and the Atomic Force Mic- scope, or AFM. The STM relies on electrons tunneling between tip and sample whereas the AFM depends on the force acting on the tip when it was placed near the sample. These were quickly followed by the M- netic Force Microscope, MFM, and the Electrostatic Force Microscope, EFM. The MFM will image a single magnetic bit with features as small as 10nm. With the EFM one can monitor the charge of a single electron.

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Applied scanning probe methods II : Scanning probe microscopy techniques

The sc- ning probes emerged as a new - strument for imaging with a p- cision suf?cient to delineate single atoms. At first there were two – the Scanning Tunneling Microscope, or STM, and the Atomic Force Mic- scope, or AFM. The STM relies on electrons tunneling between tip and sample whereas the AFM depends on the force acting on the tip when it was placed near the sample. These were quickly followed by the M- netic Force Microscope, MFM, and the Electrostatic Force Microscope, EFM. The MFM will image a single magnetic bit with features as small as 10nm. With the EFM one can monitor the charge of a single electron.

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