Atomic-scale Kinetic Monte Carlo Simulations of Diamond Chemical Vapor Deposition
Author: Corbett Chandler Battaile
Publisher:
Published: 1998
Total Pages: 372
ISBN-13:
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CVD XV
Author: Mark Donald Allendorf
Publisher: The Electrochemical Society
Published: 2000
Total Pages: 826
ISBN-13: 9781566772785
DOWNLOAD EBOOKEvolution of Thin Film Morphology
Author: Matthew Pelliccione
Publisher: Springer Science & Business Media
Published: 2008-01-29
Total Pages: 206
ISBN-13: 0387751092
DOWNLOAD EBOOKThe 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.
Dynamics and Control of Process Systems 2004
Author: Sirish Shah
Publisher: Elsevier
Published: 2005-06-10
Total Pages: 540
ISBN-13: 9780080442976
DOWNLOAD EBOOKTheory, Application, and Implementation of Monte Carlo Method in Science and Technology
Author: Pooneh Saidi Bidokhti
Publisher: BoD – Books on Demand
Published: 2019-12-18
Total Pages: 189
ISBN-13: 1789855454
DOWNLOAD EBOOKThe 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.
Physico-Chemical Phenomena in Thin Films and at Solid Surfaces
Author:
Publisher: Elsevier
Published: 2007-06-07
Total Pages: 800
ISBN-13: 0080480012
DOWNLOAD EBOOKThe 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
Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer
Author: Ilia A. Solov’yov
Publisher: Springer
Published: 2017-05-16
Total Pages: 460
ISBN-13: 3319560875
DOWNLOAD EBOOKThis book introduces readers to MesoBioNano (MBN) Explorer – a multi-purpose software package designed to model molecular systems at various levels of size and complexity. In addition, it presents a specially designed multi-task toolkit and interface – the MBN Studio – which enables the set-up of input files, controls the simulations, and supports the subsequent visualization and analysis of the results obtained. The book subsequently provides a systematic description of the capabilities of this universal and powerful software package within the framework of computational molecular science, and guides readers through its applications in numerous areas of research in bio- and chemical physics and material science – ranging from the nano- to the mesoscale. MBN Explorer is particularly suited to computing the system’s energy, to optimizing molecular structure, and to exploring the various facets of molecular and random walk dynamics. The package allows the use of a broad variety of interatomic potentials and can, e.g., be configured to select any subset of a molecular system as rigid fragments, whenever a significant reduction in the number of dynamical degrees of freedom is required for computational practicalities. MBN Studio enables users to easily construct initial geometries for the molecular, liquid, crystalline, gaseous and hybrid systems that serve as input for the subsequent simulations of their physical and chemical properties using MBN Explorer. Despite its universality, the computational efficiency of MBN Explorer is comparable to that of other, more specialized software packages, making it a viable multi-purpose alternative for the computational modeling of complex molecular systems. A number of detailed case studies presented in the second part of this book demonstrate MBN Explorer’s usefulness and efficiency in the fields of atomic clusters and nanoparticles, biomolecular systems, nanostructured materials, composite materials and hybrid systems, crystals, liquids and gases, as well as in providing modeling support for novel and emerging technologies. Last but not least, with the release of the 3rd edition of MBN Explorer in spring 2017, a free trial version will be available from the MBN Research Center website (mbnresearch.com).
Multiscale Modeling in Epitaxial Growth
Author: Axel Voigt
Publisher: Springer Science & Business Media
Published: 2006-03-30
Total Pages: 240
ISBN-13: 3764373431
DOWNLOAD EBOOKEpitaxy is relevant for thin film growth and is a very active area of theoretical research since several years. Recently powerful numerical techniques have been used to link atomistic effects at the film's surface to its macroscopic morphology. This book also serves as an introduction into this highly active interdisciplinary field of research for applied mathematicians, theoretical physicists and computational materials scientists.
Chemical Vapour Deposition (CVD)
Author: Kwang-Leong Choy
Publisher: CRC Press
Published: 2019-06-07
Total Pages: 501
ISBN-13: 1000691071
DOWNLOAD EBOOKThis book offers a timely and complete overview on chemical vapour deposition (CVD) and its variants for the processing of nanoparticles, nanowires, nanotubes, nanocomposite coatings, thin and thick films, and composites. Chapters discuss key aspects, from processing, material structure and properties to practical use, cost considerations, versatility, and sustainability. The author presents a comprehensive overview of CVD and its potential in producing high performance, cost-effective nanomaterials and thin and thick films. Features Provides an up-to-date introduction to CVD technology for the fabrication of nanomaterials, nanostructured films, and composite coatings Discusses processing, structure, functionalization, properties, and use in clean energy, engineering, and biomedical grand challenges Covers thin and thick films and composites Compares CVD with other processing techniques in terms of structure/properties, cost, versatility, and sustainability Kwang-Leong Choy is the Director of the UCL Centre for Materials Discovery and Professor of Materials Discovery in the Institute for Materials Discovery at the University College London. She earned her D.Phil. from the University of Oxford, and is the recipient of numerous honors including the Hetherington Prize, Oxford Metallurgical Society Award, and Grunfeld Medal and Prize from the Institute of Materials (UK). She is an elected fellow of the Institute of Materials, Minerals and Mining, and the Royal Society of Chemistry.
Computational Fluid Dynamics (CFD) of Chemical Processes
Author: Young-Il Lim
Publisher: MDPI
Published: 2021-02-22
Total Pages: 114
ISBN-13: 3039439332
DOWNLOAD EBOOKIn this Special Issue, one review paper highlights the necessity of multiscale CFD, coupling micro- and macro-scales, for exchanging information at the interface of the two scales. Four research papers investigate the hydrodynamics, heat transfer, and chemical reactions of various processes using Eulerian CFD modeling. CFD models are attractive for industrial applications. However, substantial efforts in physical modeling and numerical implementation are still required before their widespread implementation.
