Kinetic Monte Carlo Simulations Of Crystal Surfaces

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An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions

Author : A.P.J. Jansen
Publisher : Springer
ISBN 13 : 364229488X
Total Pages : 266 pages
Book Rating : 4.6/5 (422 download)

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Book Synopsis An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions by : A.P.J. Jansen

Download or read book An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions written by A.P.J. Jansen and published by Springer. This book was released on 2012-05-31 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kinetic Monte Carlo (kMC) simulations still represent a quite new area of research, with a rapidly growing number of publications. Broadly speaking, kMC can be applied to any system describable as a set of minima of a potential-energy surface, the evolution of which will then be regarded as hops from one minimum to a neighboring one. The hops in kMC are modeled as stochastic processes and the algorithms use random numbers to determine at which times the hops occur and to which neighboring minimum they go. Sometimes this approach is also called dynamic MC or Stochastic Simulation Algorithm, in particular when it is applied to solving macroscopic rate equations. This book has two objectives. First, it is a primer on the kMC method (predominantly using the lattice-gas model) and thus much of the book will also be useful for applications other than to surface reactions. Second, it is intended to teach the reader what can be learned from kMC simulations of surface reaction kinetics. With these goals in mind, the present text is conceived as a self-contained introduction for students and non-specialist researchers alike who are interested in entering the field and learning about the topic from scratch.

Dynamics of Crystal Surfaces and Interfaces

Author : P.M. Duxbury
Publisher : Springer Science & Business Media
ISBN 13 : 0306470713
Total Pages : 248 pages
Book Rating : 4.3/5 (64 download)

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Book Synopsis Dynamics of Crystal Surfaces and Interfaces by : P.M. Duxbury

Download or read book Dynamics of Crystal Surfaces and Interfaces written by P.M. Duxbury and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: This series of books, which is published at the rate of about one per year, addresses fundamental problems in materials science. The contents cover a broad range of topics from small clusters of atoms to engineering materials and involve chemistry, physics, and engineering, with length scales ranging from Ångstroms up to millimeters. The emphasis is on basic science rather than on applications. Each book focuses on a single area of current interest and brings together leading experts to give an up-to-date discussion of their work and the work of others. Each article contains enough references that the interested reader can access the relevant literature. Thanks are given to the Center for Fundamental Materials Research at Michigan State University for supporting this series. M. F. Thorpe, Series Editor E-mail: thorpe@pa. msu. edu v PREFACE th th During the period 4 -8 August 1996, a conference with the same title as this book was held in Traverse City, Michigan. That conference was organized as a sequel to an interesting and successful WEM workshop in a similar area run by Profs. Hans Bonzel and Bill Mullins in May 1995. This book contains papers presented at the Traverse City conference. The book focuses on: atomic processes, step structure and dynamics; and their effect on surface and interface structures and on the relaxation kinetics of larger leng- scale nonequilibrium morphologies.

Handbook of Materials Modeling

Author : Sidney Yip
Publisher : Springer Science & Business Media
ISBN 13 : 1402032862
Total Pages : 2903 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Handbook of Materials Modeling by : Sidney Yip

Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Handbook of Crystal Growth

Author : Tatau Nishinaga
Publisher : Elsevier
ISBN 13 : 0444593764
Total Pages : 1216 pages
Book Rating : 4.4/5 (445 download)

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Book Synopsis Handbook of Crystal Growth by : Tatau Nishinaga

Download or read book Handbook of Crystal Growth written by Tatau Nishinaga and published by Elsevier. This book was released on 2014-11-04 with total page 1216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume IAHandbook of Crystal Growth, 2nd Edition (Fundamentals: Thermodynamics and Kinetics) Volume IA addresses the present status of crystal growth science, and provides scientific tools for the following volumes: Volume II (Bulk Crystal Growth) and III (Thin Film Growth and Epitaxy). Volume IA highlights thermodynamics and kinetics. After historical introduction of the crystal growth, phase equilibria, defect thermodynamics, stoichiometry, and shape of crystal and structure of melt are described. Then, the most fundamental and basic aspects of crystal growth are presented, along with the theories of nucleation and growth kinetics. In addition, the simulations of crystal growth by Monte Carlo, ab initio-based approach and colloidal assembly are thoroughly investigated. Volume IBHandbook of Crystal Growth, 2nd Edition (Fundamentals: Transport and Stability) Volume IB discusses pattern formation, a typical problem in crystal growth. In addition, an introduction to morphological stability is given and the phase-field model is explained with comparison to experiments. The field of nanocrystal growth is rapidly expanding and here the growth from vapor is presented as an example. For the advancement of life science, the crystal growth of protein and other biological molecules is indispensable and biological crystallization in nature gives many hints for their crystal growth. Another subject discussed is pharmaceutical crystal growth. To understand the crystal growth, in situ observation is extremely powerful. The observation techniques are demonstrated. Volume IA - Explores phase equilibria, defect thermodynamics of Si, stoichiometry of oxides and atomistic structure of melt and alloys - Explains basic ideas to understand crystal growth, equilibrium shape of crystal, rough-smooth transition of step and surface, nucleation and growth mechanisms - Focuses on simulation of crystal growth by classical Monte Carlo, ab-initio based quantum mechanical approach, kinetic Monte Carlo and phase field model. Controlled colloidal assembly is presented as an experimental model for crystal growth. Volume IIB - Describes morphological stability theory and phase-field model and comparison to experiments of dendritic growth - Presents nanocrystal growth in vapor as well as protein crystal growth and biological crystallization - Interprets mass production of pharmaceutical crystals to be understood as ordinary crystal growth and explains crystallization of chiral molecules - Demonstrates in situ observation of crystal growth in vapor, solution and melt on the ground and in space

A Guide to Monte Carlo Simulations in Statistical Physics

Author : David P. Landau
Publisher : Cambridge University Press
ISBN 13 : 9780521653664
Total Pages : 402 pages
Book Rating : 4.6/5 (536 download)

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Book Synopsis A Guide to Monte Carlo Simulations in Statistical Physics by : David P. Landau

Download or read book A Guide to Monte Carlo Simulations in Statistical Physics written by David P. Landau and published by Cambridge University Press. This book was released on 2000-08-17 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes all aspects of Monte Carlo simulation of complex physical systems encountered in condensed-matter physics and statistical mechanics, as well as in related fields, such as polymer science and lattice gauge theory. The authors give a succinct overview of simple sampling methods and develop the importance sampling method. In addition they introduce quantum Monte Carlo methods, aspects of simulations of growth phenomena and other systems far from equilibrium, and the Monte Carlo Renormalization Group approach to critical phenomena. The book includes many applications, examples, and current references, and exercises to help the reader.

Crystal Plasticity Finite Element Methods

Author : Franz Roters
Publisher : John Wiley & Sons
ISBN 13 : 3527642099
Total Pages : 188 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Crystal Plasticity Finite Element Methods by : Franz Roters

Download or read book Crystal Plasticity Finite Element Methods written by Franz Roters and published by John Wiley & Sons. This book was released on 2011-08-04 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by the leading experts in computational materials science, this handy reference concisely reviews the most important aspects of plasticity modeling: constitutive laws, phase transformations, texture methods, continuum approaches and damage mechanisms. As a result, it provides the knowledge needed to avoid failures in critical systems udner mechanical load. With its various application examples to micro- and macrostructure mechanics, this is an invaluable resource for mechanical engineers as well as for researchers wanting to improve on this method and extend its outreach.

Properties Of Single Organic Molecules On Crystal Surfaces

Author : Peter Grutter
Publisher : World Scientific
ISBN 13 : 1908979992
Total Pages : 443 pages
Book Rating : 4.9/5 (89 download)

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Book Synopsis Properties Of Single Organic Molecules On Crystal Surfaces by : Peter Grutter

Download or read book Properties Of Single Organic Molecules On Crystal Surfaces written by Peter Grutter and published by World Scientific. This book was released on 2006-05-03 with total page 443 pages. Available in PDF, EPUB and Kindle. Book excerpt: Within nanoscience, an emerging discipline is the study of the physics and chemistry of single molecules. Molecules may be considered as the ultimate building blocks, and are therefore interesting for the development of molecular devices and for surface functionalization. Thus, it is interesting to study their properties when adsorbed on a suitable substrate such as a solid or crystal surface, and also for their potential applications in nano- or molecular-electronics and nanosensing. Investigations have been made possible by the advent of high resolution surface imaging and characterization techniques, commonly referred to as Scanning Probe Microscopes.This book focuses on the fascinating properties of the single molecules, and the difference between single molecules and ensembles of molecules is emphasized. As the first book intended for graduate courses in the field, after each chapter, students should be able to answer the question: “What physical or chemical properties do you learn from a single molecule in this particular context?” Contributed by experts across the disciplines, the book provides useful reference material for specialized practitioners in surface science, nanoscience and nanoelectronics.

Multiscale Modeling in Epitaxial Growth

Author : Axel Voigt
Publisher : Springer Science & Business Media
ISBN 13 : 3764373431
Total Pages : 240 pages
Book Rating : 4.7/5 (643 download)

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Book Synopsis Multiscale Modeling in Epitaxial Growth by : Axel Voigt

Download or read book Multiscale Modeling in Epitaxial Growth written by Axel Voigt and published by Springer Science & Business Media. This book was released on 2006-03-30 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: Epitaxy 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.

Frontiers in Surface Science and Interface Science

Author : C.B. Duke
Publisher : Gulf Professional Publishing
ISBN 13 : 9780444510419
Total Pages : 1076 pages
Book Rating : 4.5/5 (14 download)

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Book Synopsis Frontiers in Surface Science and Interface Science by : C.B. Duke

Download or read book Frontiers in Surface Science and Interface Science written by C.B. Duke and published by Gulf Professional Publishing. This book was released on 2002-05-21 with total page 1076 pages. Available in PDF, EPUB and Kindle. Book excerpt: Any notion that surface science is all about semiconductors and coatings is laid to rest by this encyclopedic publication: Bioengineered interfaces in medicine, interstellar dust, DNA computation, conducting polymers, the surfaces of atomic nuclei - all are brought up to date. Frontiers in Surface and Interface Science - a milestone publication deserving a wide readership. It combines a sweeping expert survey of research today with an educated look into the future. It is a future that embraces surface phenomena on scales from the subatomic to the galactic, as well as traditional topics like semiconductor design, catalysis, and surface processing, modeling and characterization. And, great efforts have been made to express sophisticated ideas in an attractive and accessible way. Nanotechnology, surfaces for DNA computation, polymer-based electronics, soft surfaces, interstellar surface chemistry - all feature in this comprehensive collection.

Molecular Modeling for the Design of Novel Performance Chemicals and Materials

Author : Beena Rai
Publisher : CRC Press
ISBN 13 : 1439840784
Total Pages : 400 pages
Book Rating : 4.4/5 (398 download)

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Book Synopsis Molecular Modeling for the Design of Novel Performance Chemicals and Materials by : Beena Rai

Download or read book Molecular Modeling for the Design of Novel Performance Chemicals and Materials written by Beena Rai and published by CRC Press. This book was released on 2012-03-23 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool for direct innovation. As a result, MM engineers and practitioners are often seized with the question: "How do I leverage these tools to develop novel materials or chemicals in my industry?" Molecular Modeling for the Design of Novel Performance Chemicals and Materials answers this important question via a simple and practical approach to the MM paradigm. Using case studies, it highlights the importance and usability of MM tools and techniques in various industrial applications. The book presents detailed case studies demonstrating diverse applications such as mineral processing, pharmaceuticals, ceramics, energy storage, electronic materials, paints, coatings, agrochemicals, and personal care. The book is divided into themed chapters covering a diverse range of industrial case studies, from pharmaceuticals to cement. While not going too in-depth into fundamental aspects, the book covers almost all paradigms of MM, and references are provided for further learning. The text includes more than 100 color illustrations of molecular models.

Monte Carlo Simulation in Statistical Physics

Author : Kurt Binder
Publisher : Springer Science & Business Media
ISBN 13 : 366230273X
Total Pages : 201 pages
Book Rating : 4.6/5 (623 download)

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Book Synopsis Monte Carlo Simulation in Statistical Physics by : Kurt Binder

Download or read book Monte Carlo Simulation in Statistical Physics written by Kurt Binder and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 201 pages. Available in PDF, EPUB and Kindle. Book excerpt: When learning very formal material one comes to a stage where one thinks one has understood the material. Confronted with a "realiife" problem, the passivity of this understanding sometimes becomes painfully elear. To be able to solve the problem, ideas, methods, etc. need to be ready at hand. They must be mastered (become active knowledge) in order to employ them successfully. Starting from this idea, the leitmotif, or aim, of this book has been to elose this gap as much as possible. How can this be done? The material presented here was born out of a series of lectures at the Summer School held at Figueira da Foz (Portugal) in 1987. The series of lectures was split into two concurrent parts. In one part the "formal material" was presented. Since the background of those attending varied widely, the presentation of the formal material was kept as pedagogic as possible. In the formal part the general ideas behind the Monte Carlo method were developed. The Monte Carlo method has now found widespread appli cation in many branches of science such as physics, chemistry, and biology. Because of this, the scope of the lectures had to be narrowed down. We could not give a complete account and restricted the treatment to the ap plication of the Monte Carlo method to the physics of phase transitions. Here particular emphasis is placed on finite-size effects.

Advances in Computer Simulation Studies on Crystal Growth

Author : Hiroki Nada
Publisher : MDPI
ISBN 13 : 3038973564
Total Pages : 207 pages
Book Rating : 4.0/5 (389 download)

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Book Synopsis Advances in Computer Simulation Studies on Crystal Growth by : Hiroki Nada

Download or read book Advances in Computer Simulation Studies on Crystal Growth written by Hiroki Nada and published by MDPI. This book was released on 2018-11-16 with total page 207 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a printed edition of the Special Issue "Advances in Computer Simulation Studies on Crystal Growth" that was published in Crystals

Statistical Physics of Crystal Growth

Author : Yukio Saito
Publisher : World Scientific
ISBN 13 : 9810228341
Total Pages : 191 pages
Book Rating : 4.8/5 (12 download)

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Book Synopsis Statistical Physics of Crystal Growth by : Yukio Saito

Download or read book Statistical Physics of Crystal Growth written by Yukio Saito and published by World Scientific. This book was released on 1996 with total page 191 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives a systematic overview on the scientific fundamentals of crystal growth from the classical phenomenological description to the recent theoretical contributions of statistical physics such as studies on surface roughening and on the pattern formation in the diffusion-limited growth.The book emphasizes physical concepts as well as mathematical details, and is intended to serve as lecture notes for postgraduate courses.

Copper Electrodeposition for Nanofabrication of Electronics Devices

Author : Kazuo Kondo
Publisher : Springer Science & Business Media
ISBN 13 : 1461491762
Total Pages : 280 pages
Book Rating : 4.4/5 (614 download)

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Book Synopsis Copper Electrodeposition for Nanofabrication of Electronics Devices by : Kazuo Kondo

Download or read book Copper Electrodeposition for Nanofabrication of Electronics Devices written by Kazuo Kondo and published by Springer Science & Business Media. This book was released on 2013-11-20 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses the scientific mechanism of copper electrodeposition and it's wide range of applications. The book will cover everything from the basic fundamentals to practical applications. In addition, the book will also cover important topics such as: • ULSI wiring material based upon copper nanowiring • Printed circuit boards • Stacked semiconductors • Through Silicon Via • Smooth copper foil for Lithium-Ion battery electrodes. This book is ideal for nanotechnologists, industry professionals, and practitioners.

Silicon Carbide and Related Materials 2010

Author : Edouard V. Monakhov
Publisher : Trans Tech Publications Ltd
ISBN 13 : 3038134627
Total Pages : 862 pages
Book Rating : 4.0/5 (381 download)

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Book Synopsis Silicon Carbide and Related Materials 2010 by : Edouard V. Monakhov

Download or read book Silicon Carbide and Related Materials 2010 written by Edouard V. Monakhov and published by Trans Tech Publications Ltd. This book was released on 2011-03-28 with total page 862 pages. Available in PDF, EPUB and Kindle. Book excerpt: Selected, peer reviewed papers from the 8th European Conference on Silicon Carbide and Related Materials (ECSCRM 2010), held in Oslo (Sundvolden Conference Centre), Norway, August 29th – September 2nd

Nanomaterials and Nanochemistry

Author : C. Bréchignac
Publisher : Springer Science & Business Media
ISBN 13 : 3540729933
Total Pages : 753 pages
Book Rating : 4.5/5 (47 download)

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Book Synopsis Nanomaterials and Nanochemistry by : C. Bréchignac

Download or read book Nanomaterials and Nanochemistry written by C. Bréchignac and published by Springer Science & Business Media. This book was released on 2008-01-01 with total page 753 pages. Available in PDF, EPUB and Kindle. Book excerpt: Here is a brilliant book that covers the major aspects of nanomaterials production. It integrates the many and varied chemical, material and thermo-dynamical facets of production, offering readers a new and unique approach to the subject. The mechanical, optical, and magnetic characteristics of nanomaterials are also presented in detail. Nanomaterials are a fast developing field of research and this book serves as both a reference work for researchers and a textbook for graduate students.

Quantum Dots: Fundamentals, Applications, and Frontiers

Author : Bruce A. Joyce
Publisher : Springer Science & Business Media
ISBN 13 : 140203315X
Total Pages : 401 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Quantum Dots: Fundamentals, Applications, and Frontiers by : Bruce A. Joyce

Download or read book Quantum Dots: Fundamentals, Applications, and Frontiers written by Bruce A. Joyce and published by Springer Science & Business Media. This book was released on 2006-03-30 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains papers delivered at a NATO Advanced Research Workshop and provides a broad introduction to all major aspects of quantum dot structures. Such structures have been produced for studies of basic physical phenomena, for device fabrication and, on a more speculative level, have been suggested as components of a solid-state realization of a quantum computer. The book is structured so that the reader is introduced to the methods used to produce and control quantum dots, followed by discussions of their structural, electronic, and optical properties. It concludes with examples of how their optical properties can be used in practical devices, including lasers and light-emitting diodes operating at the commercially important wavelengths of 1.3 Am and 1.55 Am."