For the first time, this book unites the theory, experimental techniques and computational tools used to describe the diffusion of atoms, molecules and nanoparticles across metal surfaces. Starting with an outline of the formalism that describes diffusion on surfaces, the authors guide the reader through the principles of atomic movement, before moving on to diffusion under special circumstances, such as the presence of defects or foreign species. With an initial focus on the behaviour of single entities on a surface, later chapters address the movement of clusters of atoms and the interactions between adatoms. While there is a special emphasis on experimental work, attention is paid to the increasingly valuable contributions theoretical work has made in this field. This book has wide interdisciplinary appeal and is ideal for researchers in solid state physics, chemistry as well as materials science, and engineering.

"For the first time, this book unites the theory, experimental techniques and computational tools used to describe the diffusion of atoms, molecules and nanoparticles across metal surfaces. Starting with an outline of the formalism that describes diffusion on surfaces, the authors guide the reader through the principles of atomic movement, before moving on to diffusion under special circumstances, such as the presence of defects or foreign species. With an initial focus on the behaviour of single entities on a surface, later chapters address the movement of clusters of atoms and the interactions between adatoms. While there is a special emphasis on experimental work, attention is paid to the increasingly valuable contributions theoretical work has made in this field. This book has wide interdisciplinary appeal and is ideal for researchers in solid state physics, chemistry as well as materials science, and engineering"--Provided by publisher.

The last hundred years have been full of scientific discoveries leading to technological advances, such as, computers, smart phones, etc. Most of the advances would not have been possible without new discoveries within the vast field of materials science. The specific area within materials science covered in this thesis is multicomponent nitride alloys, which are commonly used as thin films in industrial applications, e.g., as hard wear-resistant coatings for cutting-tools or as part of intricate electronic components in mobile telecommunication devices. The core of this thesis is towards the fundamental understanding of existing, and the discovery of new, nitride alloys using theoretical tools. Knowledge about the quantum mechanics of the alloys was gained using density functional theory, alloy theory, and thermodynamics investigating piezoelectricity, phase stability, and surface diffusion. The focus of the piezoelectricity research is on piezoelectric properties of both ordered and disordered nitrides. The exploration of disordered wurtzite nitrides revealed important aspects of the nitride alloying physics and the implications for their piezoelectric response, in addition to the discovery of interesting alloy candidates and their synthesis, e.g., YxIn1-xN. For the ordered nitrides, novel TMZnN2 (TM = Ti, Zr, Hf) structures with high piezoelectric responses have been predicted as stable. The focus of the piezoelectricity research is on piezoelectric properties of both ordered and disordered nitrides. The exploration of disordered wurtzite nitrides revealed important aspects of the nitride alloying physics and the implications for their piezoelectric response, in addition to the discovery of interesting alloy candidates and their synthesis, e.g., YxIn1-xN. For the ordered nitrides, novel TMZnN2 (TM = Ti, Zr, Hf) structures with high piezoelectric responses have been predicted as stable. The thermodynamic stability of novel alloys with interesting properties is investigated in order to determine if equilibrium or non-equilibrium synthesis is feasible. The studies consist of ternary phase diagrams of TM-Zn-N, mixing enthalpies for disordered YxAl1-xN and YxIn1-xN that can be used to predict possible synthesis routes and guide experiments. In addition, mixing enthalpies for strained ScxAl1-xN/InyAl1-yN superlattices show that the stability of certain phases and, therefore, the crystalline quality can be improved by modifying in-plane lattice parameters through higher indium content in the InAlN layers. Surface diffusion is studied because it is an important factor during thin film growth with, for example, physical vapor deposition. It is the main atomic transport mechanism and, thus, governs the structure development of thin films. Specifically, the research is focused on diffusion on the surfaces of disordered alloys, and in particular Ti, Al, and N adatom diffusion on TiN and TiAlN surfaces. The investigations revealed that Ti adatom mobilities are dramatically reduced in the presence of Al in the surface layer on the TiN and Ti0.5Al0.5N(0 0 1) surfaces, while Al adatoms are largely unaffected. Furthermore, the reverse effect is found on the TiN(1 1 1) surface, Al adatom migration is reduced while Ti adatom migration is unaffected. In addition, it is shown that neglecting the magnetic spin polarization of Ti adatoms will locally underestimate the binding energies and the diffusion path, e.g., underestimating the stability of TiN(0 0 1) bulk sites.

The interest in the problem of surface diffusion has been steadily growing over the last fifteen years. This is clearly evident from the increase in the number of papers dealing with the problem, the development of new experimental techniques, and the specialized sessions focusing on diffusion in national and international meetings. Part of the driving force behind this increasing activity is our recently acquired ability to observe and possibly control atomic scale phenomena. It is now possible to look selectively at individual atomistic processes and to determine their relative importance during growth and reactions at surfaces. The number of researchers interested in this problem also has been growing steadily which generates the need for a good reference source to farniliarize newcomers to the problem. While the recent emphasis is on the role of diffusion during growth, there is also continuing progress on the more traditional aspects of the problem describing mass transport in an ensemble of particles. Such a description is based on the statistical mechanical analysis of a collection of particles that mutually interact and develop correlations. An average over the multitude of atomistic processes that operate under these conditions is necessary to fully describe the dynamics in the system.

This volume is the proceedings of the NATO Advanced Study Institute, "Diffusion in Materials", held at "Centre Paul Langevin", Aussois, during March 12-25, 1989. There were 105 participants of whom 24 were lecturers and members of the international advisory committee. In addition to the participants from NATO countries, a small number of participants came from Australia, Hungary, Poland and Tunisia. The principal aim of the organizing committee was to bring together scientists of wide interest and expertise in the field of diffusion and to familiarize the young workers in material science with the wide range of theoretical models and methods and of experimental techniques . The Institute was concerned with the study of diffusion and related phenomena in solids which are at the cutting edge of novel technologies. The discussion of basic theories of defects in solids and their transport, with their applications in the understanding of diffusion processes in "simple solids" was followed by the wide range of current theoretical models and methods, experimental techniques and their potential. The lectures on the diffusion in specific materials included : metals, dilute and concentrated alloys, simple and compound semiconductors, stoichiometric and non-stoichiometric oxides, high-Tc compounds, carbides, nitrides, silicates, conducting polymers and thin films, ionic, superionic, amorphous and irradiated materials.

With the increasing role of porous solids in conventional and newly emerging technologies, there is an urgent need for a deeper understanding of fluid behaviour confined to pore spaces of these materials especially with regard to their transport properties. From its early years, NMR has been recognized as a powerful experimental technique enabling direct access to this information. In the last two decades, the methodological development of different NMR techniques to assess dynamic properties of adsorbed ensembles has been progressed. This book will report on these recent advances and look at new broader applications in engineering and medicine. Having both academic and industrial relevance, this unique reference will be for specialists working in the research areas and for advanced graduate and postgraduate studies who want information on the versatility of diffusion NMR.

Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Seven Volume Set summarizes current, fundamental knowledge of interfacial chemistry, bringing readers the latest developments in the field. As the chemical and physical properties and processes at solid and liquid interfaces are the scientific basis of so many technologies which enhance our lives and create new opportunities, its important to highlight how these technologies enable the design and optimization of functional materials for heterogeneous and electro-catalysts in food production, pollution control, energy conversion and storage, medical applications requiring biocompatibility, drug delivery, and more. This book provides an interdisciplinary view that lies at the intersection of these fields. Presents fundamental knowledge of interfacial chemistry, surface science and electrochemistry and provides cutting-edge research from academics and practitioners across various fields and global regions

Atoms and molecules in all states of matter are subject to continuous irregular movement. This process, referred to as diffusion, is among the most general and basic phenomena in nature and determines the performance of many technological processes. This book provides an introduction to the fascinating world of diffusion in microporous solids. Jointly written by three well-known researchers in this field, it presents a coherent treatise, rather than a compilation of separate review articles, covering the theoretical fundamentals, molecular modeling, experimental observation and technical applications. Based on the book Diffusion in Zeolites and other Microporous Solids, originally published in 1992, it illustrates the remarkable speed with which this field has developed since that time. Specific topics include: new families of nanoporous materials, micro-imaging and single-particle tracking, direct monitoring of transient profiles by interference microscopy, single-file diffusion and new approaches to molecular modeling.

This highly illustrated reference work covers the three principal types of surface technologies that best protect engineering devices and products: diffusion technologies, deposition technologies, and other less commonly acknowledged surface engineering (SE) techniques. Various applications are noted throughout the text and additionally whole chapters are devoted to specific SE applications across the automotive, gas turbine engine (GTE), metal machining, and biomedical implant sectors. Along with the benefits of SE, this volume also critically examines SE's limitations. Materials degradation pathways - those which can and those which cannot be mitigated by SE - are rigorously explained. Written from a scientific, materials engineering perspective, this concise text is supported by high-quality images and photo-micrographs which show how surfaces can be engineered to overcome the limits of conventionally produced materials, even in complex or hostile operating environments. This book is a useful resource for undergraduate and postgraduate students as well as professional engineers.