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Combining Monte Carlo Transport and Level Set Surface Evolution for Modeling Vapor Phase Deposition of Thin Films Over Sub-micron Features

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Release : 2014
Genre : Chemical engineering
Kind : eBook
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Book Synopsis Combining Monte Carlo Transport and Level Set Surface Evolution for Modeling Vapor Phase Deposition of Thin Films Over Sub-micron Features by : John Lewis Smith

Download or read book Combining Monte Carlo Transport and Level Set Surface Evolution for Modeling Vapor Phase Deposition of Thin Films Over Sub-micron Features written by John Lewis Smith. This book was released on 2014. Available in PDF, EPUB and Kindle. Book excerpt: A hybrid scheme is used to model the vapor phase deposition of thin films at the feature scale. The transport of the chemical species to the substrate surface is modeled with a Collisionless Direct Simulation Monte Carlo (DSMC) method. The Level Set Method is used to model the growth of the thin-film on the substrate. The convergence criteria for these methods were not found in literature. The governing equations for the Level Set Method are, in general, non-linear partial differential equations. The coupling of the DSMC Method with the Level Set Method results in a set of non-Gaussian stochastic non-linear partial differential equations. Developing general convergence criteria proved exceedingly difficult, and only qualitative results are presented to support our convergence criteria. Simulation results are in qualitative agreement with experiments and other results from literature.

Evolution of Thin Film Morphology

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Release : 2008-01-29
Genre : Technology & Engineering
Kind : eBook
Book Rating : 092/5 ( reviews)

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Book Synopsis Evolution of Thin Film Morphology by : Matthew Pelliccione

Download or read book Evolution of Thin Film Morphology written by Matthew Pelliccione. This book was released on 2008-01-29. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Phase-field Models for Simulating Physical Vapor Deposition and Microstructure Evolution of Thin Films

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Author :
Release : 2016
Genre : Microstructure
Kind : eBook
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Book Synopsis Phase-field Models for Simulating Physical Vapor Deposition and Microstructure Evolution of Thin Films by : James A. Stewart (Jr)

Download or read book Phase-field Models for Simulating Physical Vapor Deposition and Microstructure Evolution of Thin Films written by James A. Stewart (Jr). This book was released on 2016. Available in PDF, EPUB and Kindle. Book excerpt: The focus of this research is to develop, implement, and utilize phase-field models to study microstructure evolution in thin films during physical vapor deposition (PVD). There are four main goals to this dissertation. First, a phase-field model is developed to simulate PVD of a single-phase polycrystalline material by coupling previous modeling efforts on deposition of single-phase materials and grain evolution in polycrystalline materials. Second, a phase-field model is developed to simulate PVD of a polymorphic material by coupling previous modeling efforts on PVD of a single-phase material, evolution in multiphase materials, and phase nucleation. Third, a novel free energy functional is proposed that incorporates appropriate energetics and dynamics for simultaneous modeling of PVD and grain evolution in single-phase polycrystalline materials. Finally, these phase-field models are implemented into custom simulation codes and utilized to illustrate these models' capabilities in capturing PVD thin film growth, grain and grain boundary (GB) evolution, phase evolution and nucleation, and temperature evolution. In general, these simulations show: grain coarsening through grain rotation and GB migration such that grains tend to align with the thin film surface features and GBs migrate to locations between these features so that each surface feature has a distinct grain and orientation; the incident vapor flux rate controls the density of the thin film and the formation of surface and subsurface features; the substrate phase distribution initially acts as a template for the growing microstructure until the thin film becomes sufficiently thick; latent heat released during PVD increases the surface temperature of the thin film creating a temperature gradient within the thin film influencing phase evolution and nucleation; and temperature distributions lead to regions within the thin film that allow for multiple phases to be stable and coexist. Further, this work shows the sequential approach for coupling phase-field models, described in goals (i) and (ii) is sufficient to capture first-order features of the growth process, such as the stagnation of GBs at the valleys of the surface roughness, but to capture higher-order features, such as orientation gradients within columnar grains, the single free energy functional approach developed in goal (iii) is necessary.

Metal film growth on weakly-interacting substrates

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Release : 2019-02-11
Genre :
Kind : eBook
Book Rating : 443/5 ( reviews)

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Book Synopsis Metal film growth on weakly-interacting substrates by : Víctor Gervilla Palomar

Download or read book Metal film growth on weakly-interacting substrates written by Víctor Gervilla Palomar. This book was released on 2019-02-11. Available in PDF, EPUB and Kindle. Book excerpt: Thin films are nanoscale layers of material, with exotic properties useful in diverse areas, ranging from biomedicine to nanoelectronics and surface protection. Film properties are not only determined by their chemical composition, but also by their microstructure and roughness, features that depend crucially on the growth process due to the inherent out-of equilibrium nature of the film deposition techniques. This fact suggest that it is possible to control film growth, and in turn film properties, in a knowledge-based manner by tuning the deposition conditions. This requires a good understanding of the elementary film-forming processes, and the way by which they are affected by atomic-scale kinetics. The kinetic Monte Carlo (kMC) method is a simulation tool that can model film evolution over extended time scales, of the order of microseconds, and beyond, and thus constitutes a powerful complement to experimental research aiming to obtain an universal understanding of thin film formation and morphological evolution. In this work, kMC simulations, coupled with analytical modelling, are used to investigate the early stages of formation of metal films and nanostructures supported on weakly-interacting substrates. This starts with the formation and growth of faceted 3D islands, that relies first on facile adatom ascent at single-layer island steps and subsequently on facile adatom upward diffusion from the base to the top of the island across its facets. Interlayer mass transport is limited by the rate at which adatoms cross from the sidewall facets to the island top, a process that determines the final height of the islands and leads non-trivial growth dynamics, as increasing temperatures favour 3D growth as a result of the upward transport. These findings explain the high roughness observed experimentally in metallic films grown on weakly-interacting substrates at high temperatures. The second part of the study focus on the next logical step of film formation, when 3D islands come into contact and fuse into a single one, or coalesce. The research reveals that the faceted island structure governs the macroscopic process of coalescence as well as its dynamics, and that morphological changes depend on 2D nucleation on the II facets. In addition, deposition during coalescence is found to accelerate the process and modify its dynamics, by contributing to the nucleation of new facets. This study provides useful knowledge concerning metal growth on weakly-interacting substrates, and, in particular, identifies the key atomistic processes controlling the early stages of formation of thin films, which can be used to tailor deposition conditions in order to achieve films with unique properties and applications.

Principles of Vapor Deposition of Thin Films

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Release : 2005-12-16
Genre : Technology & Engineering
Kind : eBook
Book Rating : 314/5 ( reviews)

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Book Synopsis Principles of Vapor Deposition of Thin Films by : Professor K.S. K.S Sree Harsha

Download or read book Principles of Vapor Deposition of Thin Films written by Professor K.S. K.S Sree Harsha. This book was released on 2005-12-16. Available in PDF, EPUB and Kindle. Book excerpt: The goal of producing devices that are smaller, faster, more functional, reproducible, reliable and economical has given thin film processing a unique role in technology. Principles of Vapor Deposition of Thin Films brings in to one place a diverse amount of scientific background that is considered essential to become knowledgeable in thin film depostition techniques. Its ultimate goal as a reference is to provide the foundation upon which thin film science and technological innovation are possible. * Offers detailed derivation of important formulae. * Thoroughly covers the basic principles of materials science that are important to any thin film preparation. * Careful attention to terminologies, concepts and definitions, as well as abundance of illustrations offer clear support for the text.

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