The focus of this book is on modeling and simulations used in research on the morphological evolution during film growth. The authors emphasize the detailed mathematical formulation of the problem. The book will enable readers themselves to set up a computational program to investigate specific topics of interest in thin film deposition. It will benefit those working in any discipline that requires an understanding of thin film growth processes.

The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.

The book is devoted to the consideration of the different processes taking place in thin films and at surfaces. Since the most important physico-chemical phenomena in such media are accompanied by the rearrangement of an intra- and intermolecular coordinates and consequently a surrounding molecular ensemble, the theory of radiationless multi-vibrational transitions is used for its description. The second part of the book considers the numerous surface phenomena. And in the third part is described the preparation methods and characteristics of different types of thin films. Both experimental and theoretical descriptions are represented. Media rearrangement coupled with the reagent transformation largely determines the absolute value and temperature dependence of the rate constants and other characteristics of the considered processes. These effects are described at the atomic or molecular level based on the multi-phonon theory, starting from the first pioneering studies through to contemporary studies.A number of questions are included at the end of many chapters to further reinforce the material presented.· Unified approach to the description of numerous physico-chemical phenomena in different materials· Based on the pioneering research work of the authors· Explantion of a variety of experimental observations· Material is presented at two levels of complexity for specialists and non-specialists · Identifies existing and potential applications of the processes and phenomena · Includes questions at the end of some chapters to further reinforce the material discussed

Thin film technology is used in many applications such as microelectronics, optics, hard and corrosion resistant coatings and micromechanics, and thin films form a uniquely versatile material base for the development of novel technologies within these industries. Thin film growth provides an important and up-to-date review of the theory and deposition techniques used in the formation of thin films.Part one focuses on the theory of thin film growth, with chapters covering nucleation and growth processes in thin films, phase-field modelling of thin film growth and surface roughness evolution. Part two covers some of the techniques used for thin film growth, including oblique angle deposition, reactive magnetron sputtering and epitaxial growth of graphene films on single crystal metal surfaces. This section also includes chapters on the properties of thin films, covering topics such as substrate plasticity and buckling of thin films, polarity control, nanostructure growth dynamics and network behaviour in thin films.With its distinguished editor and international team of contributors, Thin film growth is an essential reference for engineers in electronics, energy materials and mechanical engineering, as well as those with an academic research interest in the topic. - Provides an important and up-to-date review of the theory and deposition techniques used in the formation of thin films - Focusses on the theory and modelling of thin film growth, techniques and mechanisms used for thin film growth and properties of thin films - An essential reference for engineers in electronics, energy materials and mechanical engineering

The Monte Carlo method is a numerical technique to model the probability of all possible outcomes in a process that cannot easily be predicted due to the interference of random variables. It is a technique used to understand the impact of risk, uncertainty, and ambiguity in forecasting models. However, this technique is complicated by the amount of computer time required to achieve sufficient precision in the simulations and evaluate their accuracy. This book discusses the general principles of the Monte Carlo method with an emphasis on techniques to decrease simulation time and increase accuracy.

Recent years have witnessed the flourishing of numerous novel strategies based on the magnetron sputtering technique aimed at the advanced engineering of thin films, such as HiPIMS, combined vacuum processes, the implementation of complex precursor gases or the inclusion of particle guns in the reactor, among others. At the forefront of these approaches, investigations focused on nanostructured coatings appear today as one of the priorities in many scientific and technological communities: The science behind them appears in most of the cases as a "terra incognita", fascinating both the fundamentalist, who imagines new concepts, and the experimenter, who is able to create and study new films with as of yet unprecedented performances. These scientific and technological challenges, along with the existence of numerous scientific issues that have yet to be clarified in classical magnetron sputtering depositions (e.g., process control and stability, nanostructuration mechanisms, connection between film morphology and properties or upscaling procedures from the laboratory to industrial scales) have motivated us to edit a specialized volume containing the state-of-the art that put together these innovative fundamental and applied research topics. These include, but are not limited to: • Nanostructure-related properties; • Atomistic processes during film growth; • Process control, process stability, and in situ diagnostics; • Fundamentals and applications of HiPIMS; • Thin film nanostructuration phenomena; • Tribological, anticorrosion, and mechanical properties; • Combined procedures based on the magnetron sputtering technique; • Industrial applications; • Devices.

An up-to-date collection of tutorial papers on the latest advances in the deposition and growth of thin films for micro and nano technologies. The emphasis is on fundamental aspects, principles and applications of deposition techniques used for the fabrication of micro and nano devices. The deposition of thin films is described, emphasising the gas phase and surface chemistry and its effects on the growth rates and properties of films. Gas-phase phenomena, surface chemistry, growth mechanisms and the modelling of deposition processes are thoroughly described and discussed to provide a clear understanding of the growth of thin films and microstructures via thermally activated, laser induced, photon assisted, ion beam assisted, and plasma enhanced vapour deposition processes. A handbook for engineers and scientists and an introduction for students of microelectronics.