Atomic-scale Kinetic Monte Carlo Simulations of Diamond Chemical Vapor Deposition

Atomic-scale Kinetic Monte Carlo Simulations of Diamond Chemical Vapor Deposition PDF Author: Corbett Chandler Battaile
Publisher:
ISBN:
Category :
Languages : en
Pages : 372

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Atomic-scale Kinetic Monte Carlo Simulations of Diamond Chemical Vapor Deposition

Atomic-scale Kinetic Monte Carlo Simulations of Diamond Chemical Vapor Deposition PDF Author: Corbett Chandler Battaile
Publisher:
ISBN:
Category :
Languages : en
Pages : 372

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Book Description


Introduction to Computational Materials Science

Introduction to Computational Materials Science PDF Author: Richard LeSar
Publisher: Cambridge University Press
ISBN: 1107328144
Category : Technology & Engineering
Languages : en
Pages : 429

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Book Description
Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modelling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.

Molecular Modeling and Theory in Chemical Engineering

Molecular Modeling and Theory in Chemical Engineering PDF Author: James Wei
Publisher: Elsevier
ISBN: 0080488269
Category : Technology & Engineering
Languages : en
Pages : 508

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Book Description
In recent years chemical engineers have become increasingly involved in the design and synthesis of new materials and products as well as the development of biological processes and biomaterials. Such applications often demand that product properties be controlled with precision. Molecular modeling, simulating chemical and molecular structures or processes by computer, aids scientists in this endeavor. Volume 28 of Advances in Chemical Engineering presents discussions of theoretical and computational methods as well as their applications to specific technologies.

Predictive Simulation of Semiconductor Processing

Predictive Simulation of Semiconductor Processing PDF Author: Jarek Dabrowski
Publisher: Springer Science & Business Media
ISBN: 3662094320
Category : Technology & Engineering
Languages : en
Pages : 505

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Book Description
Predictive Simulation of Semiconductor Processing enables researchers and developers to extend the scaling range of semiconductor devices beyond the parameter range of empirical research. It requires a thorough understanding of the basic mechanisms employed in device fabrication, such as diffusion, ion implantation, epitaxy, defect formation and annealing, and contamination. This book presents an in-depth discussion of our current understanding of key processes and identifies areas that require further work in order to achieve the goal of a comprehensive, predictive process simulation tool.

A Study of Chemical Vapor Deposition Diamond Morphology

A Study of Chemical Vapor Deposition Diamond Morphology PDF Author: John Michael Larson
Publisher:
ISBN:
Category :
Languages : en
Pages : 512

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CVD Diamond for Electronic Devices and Sensors

CVD Diamond for Electronic Devices and Sensors PDF Author: Ricardo S. Sussmann
Publisher: John Wiley & Sons
ISBN: 9780470740361
Category : Technology & Engineering
Languages : en
Pages : 596

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Book Description
Synthetic diamond is diamond produced by using chemical or physical processes. Like naturally occurring diamond it is composed of a three-dimensional carbon crystal. Due to its extreme physical properties, synthetic diamond is used in many industrial applications, such as drill bits and scratch-proof coatings, and has the potential to be used in many new application areas A brand new title from the respected Wiley Materials for Electronic and Optoelectronic Applications series, this title is the most up-to-date resource for diamond specialists. Beginning with an introduction to the properties of diamond, defects, impurities and the growth of CVD diamond with its imminent commercial impact, the remainder of the book comprises six sections: introduction, radiation sensors, active electronic devices, biosensors, MEMs and electrochemistry. Subsequent chapters cover the diverse areas in which diamond applications are having an impact including electronics, sensors and actuators and medicine.

Reviews in Computational Chemistry, Volume 28

Reviews in Computational Chemistry, Volume 28 PDF Author: Abby L. Parrill
Publisher: John Wiley & Sons
ISBN: 1118407776
Category : Science
Languages : en
Pages : 570

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Book Description
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protein Folding Pathways Assessing Structural Predictions of Protein-Protein Recognition Kinetic Monte Carlo Simulation of Electrochemical Systems Reactivity and Dynamics at Liquid Interfaces

Electrocatalysis

Electrocatalysis PDF Author: Richard C. Alkire
Publisher: John Wiley & Sons
ISBN: 3527680454
Category : Science
Languages : en
Pages : 315

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Book Description
Catalysts speed up a chemical reaction or allow for reactions to take place that would not otherwise occur. The chemical nature of a catalyst and its structure are crucial for interactions with reaction intermediates. An electrocatalyst is used in an electrochemical reaction, for example in a fuel cell to produce electricity. In this case, reaction rates are also dependent on the electrode potential and the structure of the electrical double-layer. This work provides a valuable overview of this rapidly developing field by focusing on the aspects that drive the research of today and tomorrow. Key topics are discussed by leading experts, making this book a must-have for many scientists of the field with backgrounds in different disciplines, including chemistry, physics, biochemistry, engineering as well as surface and materials science. This book is volume XIV in the series "Advances in Electrochemical Sciences and Engineering".

Computational Methods in Surface and Colloid Science

Computational Methods in Surface and Colloid Science PDF Author: Malgorzata Borowko
Publisher: CRC Press
ISBN: 0429524838
Category : Science
Languages : en
Pages : 760

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Book Description
This volume presents computer simulation methods and mathematical modelling of physical processes used in surface science research. It offers in-depth analysis of advanced theoretical approaches to behaviours of fluids in contact with porous, semiporous and nonporous solid surfaces. The book also explores interfacial systems for a wide variety of p

Methods in Membrane Lipids

Methods in Membrane Lipids PDF Author: Alex M. Dopico
Publisher: Springer Science & Business Media
ISBN: 1588296628
Category : Medical
Languages : en
Pages : 1265

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Book Description
This book presents a compendium of methodologies for the study of membrane lipids, varying from traditional lab bench experimentation to computer simulation and theoretical models. The volume provides a comprehensive set of techniques for studying membrane lipids with a strong biophysical emphasis. It compares the various available techniques including the pros and cons as seen by the experts.