Atomistic Simulation Of Materials

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Atomistic Simulation of Materials

Author : David J. Srolovitz
Publisher : Springer Science & Business Media
ISBN 13 : 1468457039
Total Pages : 454 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis Atomistic Simulation of Materials by : David J. Srolovitz

Download or read book Atomistic Simulation of Materials written by David J. Srolovitz and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 454 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains proceedings of an international symposium on Atomistic th Simulation of Materials: Beyond Pair Potentials which was held in Chicago from the 25 th to 30 of September 1988, in conjunction with the ASM World Materials Congress. This symposium was financially supported by the Energy Conversion and Utilization Technology Program of the U. S Department of Energy and by the Air Force Office of Scientific Research. A total of fifty four talks were presented of which twenty one were invited. Atomistic simulations are now common in materials research. Such simulations are currently used to determine the structural and thermodynamic properties of crystalline solids, glasses and liquids. They are of particular importance in studies of crystal defects, interfaces and surfaces since their structures and behavior playa dominant role in most materials properties. The utility of atomistic simulations lies in their ability to provide information on those length scales where continuum theory breaks down and instead complex many body problems have to be solved to understand atomic level structures and processes.

Atomistic Modeling of Materials Failure

Author : Markus J. Buehler
Publisher : Springer Science & Business Media
ISBN 13 : 0387764267
Total Pages : 547 pages
Book Rating : 4.3/5 (877 download)

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Book Synopsis Atomistic Modeling of Materials Failure by : Markus J. Buehler

Download or read book Atomistic Modeling of Materials Failure written by Markus J. Buehler and published by Springer Science & Business Media. This book was released on 2008-08-07 with total page 547 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is an introduction to molecular and atomistic modeling techniques applied to fracture and deformation of solids, focusing on a variety of brittle, ductile, geometrically confined and biological materials. The overview includes computational methods and techniques operating at the atomic scale, and describes how these techniques can be used to model cracks and other deformation mechanisms. The book aims to make new molecular modeling techniques available to a wider community.

Modeling Materials

Author : Ellad B. Tadmor
Publisher : Cambridge University Press
ISBN 13 : 1139500651
Total Pages : 789 pages
Book Rating : 4.1/5 (395 download)

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Book Synopsis Modeling Materials by : Ellad B. Tadmor

Download or read book Modeling Materials written by Ellad B. Tadmor and published by Cambridge University Press. This book was released on 2011-11-24 with total page 789 pages. Available in PDF, EPUB and Kindle. Book excerpt: Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding. Materials researchers must therefore understand fundamental concepts and techniques from different fields, and these are presented in a comprehensive and integrated fashion for the first time in this book. Incorporating continuum mechanics, quantum mechanics, statistical mechanics, atomistic simulations and multiscale techniques, the book explains many of the key theoretical ideas behind multiscale modeling. Classical topics are blended with new techniques to demonstrate the connections between different fields and highlight current research trends. Example applications drawn from modern research on the thermo-mechanical properties of crystalline solids are used as a unifying focus throughout the text. Together with its companion book, Continuum Mechanics and Thermodynamics (Cambridge University Press, 2011), this work presents the complete fundamentals of materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.

Atomistic Computer Simulations

Author : Veronika Brázdová
Publisher : John Wiley & Sons
ISBN 13 : 3527671838
Total Pages : 291 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Atomistic Computer Simulations by : Veronika Brázdová

Download or read book Atomistic Computer Simulations written by Veronika Brázdová and published by John Wiley & Sons. This book was released on 2013-04-16 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: Many books explain the theory of atomistic computer simulations; this book teaches you how to run them This introductory "how to" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters of the simulations are essential, as well as being able to assess whether the results are correct, find and correct errors, and extract the relevant information from the results. Finally, they will know which information needs to be included in their publications. This book includes checklists for planning projects, analyzing output files, and for troubleshooting, as well as pseudo keywords and case studies. The authors provide an accompanying blog for the book with worked examples, and additional material and references: http://www.atomisticsimulations.org/.

Atomistic Simulation of Anistropic Crystal Structures at Nanoscale

Author : Jia Fu
Publisher : BoD – Books on Demand
ISBN 13 : 1838802010
Total Pages : 180 pages
Book Rating : 4.8/5 (388 download)

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Book Synopsis Atomistic Simulation of Anistropic Crystal Structures at Nanoscale by : Jia Fu

Download or read book Atomistic Simulation of Anistropic Crystal Structures at Nanoscale written by Jia Fu and published by BoD – Books on Demand. This book was released on 2019-05-10 with total page 180 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale simulations of atomistic/continuum coupling in computational materials science, where the scale expands from macro-/micro- to nanoscale, has become a hot research topic. These small units, usually nanostructures, are commonly anisotropic. The development of molecular modeling tools to describe and predict the mechanical properties of structures reveals an undeniable practical importance. Typical anisotropic structures (e.g. cubic, hexagonal, monoclinic) using DFT, MD, and atomic finite element methods are especially interesting, according to the modeling requirement of upscaling structures. It therefore connects nanoscale modeling and continuous patterns of deformation behavior by identifying relevant parameters from smaller to larger scales. These methodologies have the prospect of significant applications. I would like to recommend this book to both beginners and experienced researchers.

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.

Molecular Dynamics Simulation of Nanostructured Materials

Author : Snehanshu Pal
Publisher : CRC Press
ISBN 13 : 0429672454
Total Pages : 334 pages
Book Rating : 4.4/5 (296 download)

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Book Synopsis Molecular Dynamics Simulation of Nanostructured Materials by : Snehanshu Pal

Download or read book Molecular Dynamics Simulation of Nanostructured Materials written by Snehanshu Pal and published by CRC Press. This book was released on 2020-04-28 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics simulation is a significant technique to gain insight into the mechanical behavior of nanostructured (NS) materials and associated underlying deformation mechanisms at the atomic scale. The purpose of this book is to detect and correlate critically current achievements and properly assess the state of the art in the mechanical behavior study of NS material in the perspective of the atomic scale simulation of the deformation process. More precisely, the book aims to provide representative examples of mechanical behavior studies carried out using molecular dynamics simulations, which provide contributory research findings toward progress in the field of NS material technology.

Multiscale Materials Modeling for Nanomechanics

Author : Christopher R. Weinberger
Publisher : Springer
ISBN 13 : 3319334808
Total Pages : 554 pages
Book Rating : 4.3/5 (193 download)

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Book Synopsis Multiscale Materials Modeling for Nanomechanics by : Christopher R. Weinberger

Download or read book Multiscale Materials Modeling for Nanomechanics written by Christopher R. Weinberger and published by Springer. This book was released on 2016-08-30 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a unique combination of chapters that together provide a practical introduction to multiscale modeling applied to nanoscale materials mechanics. The goal of this book is to present a balanced treatment of both the theory of the methodology, as well as some practical aspects of conducting the simulations and models. The first half of the book covers some fundamental modeling and simulation techniques ranging from ab-inito methods to the continuum scale. Included in this set of methods are several different concurrent multiscale methods for bridging time and length scales applicable to mechanics at the nanoscale regime. The second half of the book presents a range of case studies from a varied selection of research groups focusing either on a the application of multiscale modeling to a specific nanomaterial, or novel analysis techniques aimed at exploring nanomechanics. Readers are also directed to helpful sites and other resources throughout the book where the simulation codes and methodologies discussed herein can be accessed. Emphasis on the practicality of the detailed techniques is especially felt in the latter half of the book, which is dedicated to specific examples to study nanomechanics and multiscale materials behavior. An instructive avenue for learning how to effectively apply these simulation tools to solve nanomechanics problems is to study previous endeavors. Therefore, each chapter is written by a unique team of experts who have used multiscale materials modeling to solve a practical nanomechanics problem. These chapters provide an extensive picture of the multiscale materials landscape from problem statement through the final results and outlook, providing readers with a roadmap for incorporating these techniques into their own research.

Bridging the Time Scales

Author : Peter Nielaba
Publisher : Springer Science & Business Media
ISBN 13 : 3540458379
Total Pages : 498 pages
Book Rating : 4.5/5 (44 download)

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Book Synopsis Bridging the Time Scales by : Peter Nielaba

Download or read book Bridging the Time Scales written by Peter Nielaba and published by Springer Science & Business Media. This book was released on 2007-10-13 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: The behaviour of many complex materials extends over time- and lengthscales well beyond those that can normally be described using standard molecular dynamics or Monte Carlo simulation techniques. As progress is coming more through refined simulation methods than from increased computer power, this volume is intended as both an introduction and a review of all relevant modern methods that will shape molecular simulation in the forthcoming decade. Written as a set of tutorial reviews, the book will be of use to specialists and nonspecialists alike.

Multiscale Modeling and Simulation of Composite Materials and Structures

Author : Young Kwon
Publisher : Springer Science & Business Media
ISBN 13 : 0387363181
Total Pages : 634 pages
Book Rating : 4.3/5 (873 download)

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Book Synopsis Multiscale Modeling and Simulation of Composite Materials and Structures by : Young Kwon

Download or read book Multiscale Modeling and Simulation of Composite Materials and Structures written by Young Kwon and published by Springer Science & Business Media. This book was released on 2007-12-04 with total page 634 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the state-of-the-art in multiscale modeling and simulation techniques for composite materials and structures. It focuses on the structural and functional properties of engineering composites and the sustainable high performance of components and structures. The multiscale techniques can be also applied to nanocomposites which are important application areas in nanotechnology. There are few books available on this topic.

Molecular Simulation on Cement-Based Materials

Author : Dongshuai Hou
Publisher : Springer Nature
ISBN 13 : 9811387117
Total Pages : 205 pages
Book Rating : 4.8/5 (113 download)

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Book Synopsis Molecular Simulation on Cement-Based Materials by : Dongshuai Hou

Download or read book Molecular Simulation on Cement-Based Materials written by Dongshuai Hou and published by Springer Nature. This book was released on 2019-09-26 with total page 205 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a number of studies on the molecular dynamics of cement-based materials. It introduces a practical molecular model of cement-hydrate, delineates the relationship between molecular structure and nanoscale properties, reveals the transport mechanism of cement-hydrate, and provides useful methods for material design. Based on the molecular model presented here, the book subsequently sheds light on nanotechnology applications in the design of construction and building materials. As such, it offers a valuable asset for researchers, scientists, and engineers in the field of construction and building materials.

Applied Computational Materials Modeling

Author : Guillermo Bozzolo
Publisher : Springer Science & Business Media
ISBN 13 : 0387345655
Total Pages : 502 pages
Book Rating : 4.3/5 (873 download)

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Book Synopsis Applied Computational Materials Modeling by : Guillermo Bozzolo

Download or read book Applied Computational Materials Modeling written by Guillermo Bozzolo and published by Springer Science & Business Media. This book was released on 2007-12-19 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: The scope of this book is to identify and emphasize the successful link between computational materials modeling as a simulation and design tool and its synergistic application to experimental research and alloy development. The book provides a more balanced perspective of the role that computational modeling can play in every day research and development efforts. Each chapter describes one or more particular computational tool and how they are best used.

The Art of Molecular Dynamics Simulation

Author : D. C. Rapaport
Publisher : Cambridge University Press
ISBN 13 : 9780521825689
Total Pages : 568 pages
Book Rating : 4.8/5 (256 download)

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Book Synopsis The Art of Molecular Dynamics Simulation by : D. C. Rapaport

Download or read book The Art of Molecular Dynamics Simulation written by D. C. Rapaport and published by Cambridge University Press. This book was released on 2004-04 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.

Molecular Modeling Techniques In Material Sciences

Author : Jörg-Rüdiger Hill
Publisher : CRC Press
ISBN 13 : 9780824724191
Total Pages : 328 pages
Book Rating : 4.7/5 (241 download)

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Book Synopsis Molecular Modeling Techniques In Material Sciences by : Jörg-Rüdiger Hill

Download or read book Molecular Modeling Techniques In Material Sciences written by Jörg-Rüdiger Hill and published by CRC Press. This book was released on 2005-03-30 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Increasingly useful in materials research and development, molecular modeling is a method that combines computational chemistry techniques with graphics visualization for simulating and predicting the structure, chemical processes, and properties of materials. Molecular Modeling Techniques in Materials Science explores the impact of using molecular modeling for various simulations in industrial settings. It provides an overview of commonly used methods in atomistic simulation of a broad range of materials, including oxides, superconductors, semiconductors, zeolites, glass, and nanomaterials. The book presents information on how to handle different materials and how to choose an appropriate modeling method or combination of techniques to better predict material behavior and pinpoint effective solutions. Discussing the advantages and disadvantages of various approaches, the authors develop a framework for identifying objectives, defining design parameters, measuring accuracy/accounting for error, validating and assessing various data collected, supporting software needs, and other requirements for planning a modeling project. The book integrates the remarkable developments in computation, such as advanced graphics and faster, cheaper workstations and PCs with new advances in theoretical techniques and numerical algorithms. Molecular Modeling Techniques in Materials Science presents the background and tools for chemists and physicists to perform in-silico experiments to understand relationships between the properties of materials and the underlying atomic structure. These insights result in more accurate data for designing application-specific materials that withstand real process conditions, including hot temperatures and high pressures.

Molecular Dynamics Simulation

Author : Giovanni Ciccotti
Publisher : MDPI
ISBN 13 : 3906980650
Total Pages : 627 pages
Book Rating : 4.9/5 (69 download)

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Book Synopsis Molecular Dynamics Simulation by : Giovanni Ciccotti

Download or read book Molecular Dynamics Simulation written by Giovanni Ciccotti and published by MDPI. This book was released on 2018-10-08 with total page 627 pages. Available in PDF, EPUB and Kindle. Book excerpt: Printed Edition of the Special Issue Published in Entropy

Encyclopedia of Glass Science, Technology, History, and Culture Two Volume Set

Author : Pascal Richet
Publisher : John Wiley & Sons
ISBN 13 : 1118799399
Total Pages : 1568 pages
Book Rating : 4.1/5 (187 download)

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Book Synopsis Encyclopedia of Glass Science, Technology, History, and Culture Two Volume Set by : Pascal Richet

Download or read book Encyclopedia of Glass Science, Technology, History, and Culture Two Volume Set written by Pascal Richet and published by John Wiley & Sons. This book was released on 2021-02-05 with total page 1568 pages. Available in PDF, EPUB and Kindle. Book excerpt: This Encyclopedia begins with an introduction summarizing itsscope and content. Glassmaking; Structure of Glass, GlassPhysics,Transport Properties, Chemistry of Glass, Glass and Light,Inorganic Glass Families, Organic Glasses, Glass and theEnvironment, Historical and Economical Aspect of Glassmaking,History of Glass, Glass and Art, and outlinepossible newdevelopments and uses as presented by the best known people in thefield (C.A. Angell, for example). Sections and chapters arearranged in a logical order to ensure overall consistency and avoiduseless repetitions. All sections are introduced by a briefintroduction and attractive illustration. Newly investigatedtopics will be addresses, with the goal of ensuring that thisEncyclopedia remains a reference work for years to come.

Applied Nanoindentation in Advanced Materials

Author : Atul Tiwari
Publisher : John Wiley & Sons
ISBN 13 : 1119084490
Total Pages : 704 pages
Book Rating : 4.1/5 (19 download)

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Book Synopsis Applied Nanoindentation in Advanced Materials by : Atul Tiwari

Download or read book Applied Nanoindentation in Advanced Materials written by Atul Tiwari and published by John Wiley & Sons. This book was released on 2017-10-30 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt: Research in the area of nanoindentation has gained significant momentum in recent years, but there are very few books currently available which can educate researchers on the application aspects of this technique in various areas of materials science. Applied Nanoindentation in Advanced Materials addresses this need and is a comprehensive, self-contained reference covering applied aspects of nanoindentation in advanced materials. With contributions from leading researchers in the field, this book is divided into three parts. Part one covers innovations and analysis, and parts two and three examine the application and evaluation of soft and ceramic-like materials respectively. Key features: A one stop solution for scholars and researchers to learn applied aspects of nanoindentation Contains contributions from leading researchers in the field Includes the analysis of key properties that can be studied using the nanoindentation technique Covers recent innovations Includes worked examples Applied Nanoindentation in Advanced Materials is an ideal reference for researchers and practitioners working in the areas of nanotechnology and nanomechanics, and is also a useful source of information for graduate students in mechanical and materials engineering, and chemistry. This book also contains a wealth of information for scientists and engineers interested in mathematical modelling and simulations related to nanoindentation testing and analysis.