Download or read book Atomistic Simulation Methods in Solid Mechanics written by Zhiping Xu and published by Academic Press. This book was released on 2018-07-01 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: Many exciting problems in mechanics are multiscale in nature. For example, the failure of materials involves breaking of chemical bonds at the atomic scale and crack spreading at larger scales. Mechanics of the cell as a material is defined by the cytoskeleton networks and membrane, as built up from proteins and lipids at the molecular level. To solve these problems, one must be equipped with techniques that are able to address the multiphysics nature at different space and time scales and successfully bridging them. Recently, rapid progresses in micro-, nanomechanics and mechanics of biological materials urges the development of theoretical models and numerical techniques within this scenario. The goal of this book is to bring a pedestrian introduction and in-depth discussion on the key ideas and challenges. In this book, we aim to present the developing field of atomistic simulation methods and their applications in solid mechanics, in a self-contained way. The first part (the algorithm) will cover basics in quantum, classical and statistical mechanics knowledge, also basic concepts and physics of solid mechanics. With this background, the algorithm of molecular dynamics and relative methods such as Monte-Carlo methods are introduced as well. The second part of the book focuses on a number of hot topics in the current mechanics community, from failure of materials, nanomechanics, to mechanics of biological materials. In the third part, extended discussion on novel methods for solving multiscale solid mechanics problems are introduced. Some of them are fresh and still under development at the time the manuscript is prepared and are believed by the authors to be the future direction in this field. The book addresses theoretical issues, and detailed numeric algorithms as well. The readers are assumed to have basic knowledge in engineering mechanics and college physics. Some experience with physical chemistry or solid-state physics will be helpful. Illustrative examples and problems are prepared after many chapters for self-study purposes.
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.
Download or read book Mechanical Stress on the Nanoscale written by Margrit Hanbücken and published by John Wiley & Sons. This book was released on 2011-12-07 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bringing together experts from the various disciplines involved, this first comprehensive overview of the current level of stress engineering on the nanoscale is unique in combining the theoretical fundamentals with simulation methods, model systems and characterization techniques. Essential reading for researchers in microelectronics, optoelectronics, sensing, and photonics.
Download or read book Contact Modeling for Solids and Particles written by Alexander Popp and published by Springer. This book was released on 2018-05-19 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book conveys modern techniques and the latest state-of-the-art with regard to the most fundamental aspects of computational contact mechanics. However, since contact can readily be interpreted as a special type of interface problem, it seems advisable not to isolate contact mechanics, but rather to address it in the context of a broader class of problems denoted as computational interface mechanics. The book gives a clear understanding of the underlying physics of interfaces, and a comprehensive insight into the current state-of-the-art and selected cutting-edge research directions in the computational treatment of interface effects. It focuses on the modeling of friction, wear, lubrication, cohesive interfaces, grain boundaries, phase boundaries, fracture, thermo-mechanics and particulate contact (e.g. granular media). Also the most important computational aspects are addressed, including discretization techniques for finite deformations, solution algorithms for single- and multi-processor computing environments, multi-scale approaches, discrete element models and multi-physics problems including contact and interface constraints. Among the computational techniques covered in this book are finite element (FEM) and boundary element (BEM) methods, atomistic models, molecular dynamics (MD), discrete element methods (DEM), coupling approaches for multi-scale simulations, and tools for an efficient automated FEM code generation.
Download or read book Atomistic Simulations of Glasses written by Jincheng Du and published by John Wiley & Sons. This book was released on 2022-04-05 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: A complete reference to computer simulations of inorganic glass materials In Atomistic Simulations of Glasses: Fundamentals and Applications, a team of distinguished researchers and active practitioners delivers a comprehensive review of the fundamentals and practical applications of atomistic simulations of inorganic glasses. The book offers concise discussions of classical, first principles, Monte Carlo, and other simulation methods, together with structural analysis techniques and property calculation methods for the models of glass generated from these atomistic simulations, before moving on to practical examples of the application of atomistic simulations in the research of several glass systems. The authors describe simulations of silica, silicate, aluminosilicate, borosilicate, phosphate, halide and oxyhalide glasses with up-to-date information and explore the challenges faced by researchers when dealing with these systems. Both classical and ab initio methods are examined and comparison with experimental structural and property data provided. Simulations of glass surfaces and surface-water reactions are also covered. Atomistic Simulations of Glasses includes multiple case studies and addresses a variety of applications of simulation, from elucidating the structure and properties of glasses for optical, electronic, architecture applications to high technology fields such as flat panel displays, nuclear waste disposal, and biomedicine. The book also includes: A thorough introduction to the fundamentals of atomistic simulations, including classical, ab initio, Reverse Monte Carlo simulation and topological constraint theory methods Important ingredients for simulations such as interatomic potential development, structural analysis methods, and property calculations are covered Comprehensive explorations of the applications of atomistic simulations in glass research, including the history of atomistic simulations of glasses Practical discussions of rare earth and transition metal-containing glasses, as well as halide and oxyhalide glasses In-depth examinations of glass surfaces and silicate glass-water interactions Perfect for glass, ceramic, and materials scientists and engineers, as well as physical, inorganic, and computational chemists, Atomistic Simulations of Glasses: Fundamentals and Applications is also an ideal resource for condensed matter and solid-state physicists, mechanical and civil engineers, and those working with bioactive glasses. Graduate students, postdocs, senior undergraduate students, and others who intend to enter the field of simulations of glasses would also find the book highly valuable.
Download or read book Meshless Methods in Solid Mechanics written by Youping Chen and published by Springer Science & Business Media. This book was released on 2006-04-28 with total page 211 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the fundamentals of continuum mechanics, the integral formulation methods of continuum problems, the basic concepts of finite element methods, and the methodologies, formulations, procedures, and applications of various meshless methods. It also provides general and detailed procedures of meshless analysis on elastostatics, elastodynamics, non-local continuum mechanics and plasticity with a large number of numerical examples. Some basic and important mathematical methods are included in the Appendixes. For readers who want to gain knowledge through hands-on experience, the meshless programs for elastostatics and elastodynamics are provided on an included disc.
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.
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.
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/.
Download or read book Atomic Mechanics of Solids written by A.K. Macpherson and published by Elsevier. This book was released on 2012-12-02 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume brings together some of the presently available theoretical techniques which will be useful in the design of solid-state materials. At present, it is impossible to specify the atomic composition of a material and its macroscopic physical properties. However, the future possibilities for such a science are being laid today. This is coming about due to the development of fast, cheap computers which will be able to undertake the calculations which are necessary.Since this field of science is fairly new, it is not yet quite clear which direction of analysis will eventually prove to be the most successful. In this respect the author has included the most relevant promising subject areas, based on seven years of research experience in the field. An extensive literature already exists for most of the areas covered here, thus when more detailed analysis can be found elsewhere, the assumptions made are discussed, and only an outline of the method involved is presented. Comprehensive indexes are provided to assist the reader in further studies. This is a potentially important field which is slowly getting underway and only needs a significant development to attract a broader scientific interest. The work will be of considerable interest to program managers needing to assess this new field.
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.
Download or read book Simulation Methods in Atomic scale Materials Physics written by Per Stoltze and published by . This book was released on 1997 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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.
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.
Download or read book Applied Mechanics of Solids written by Allan F. Bower and published by CRC Press. This book was released on 2009-10-05 with total page 820 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern computer simulations make stress analysis easy. As they continue to replace classical mathematical methods of analysis, these software programs require users to have a solid understanding of the fundamental principles on which they are based.Develop Intuitive Ability to Identify and Avoid Physically Meaningless PredictionsApplied Mechanics o
Download or read book The Monte Carlo Method in Condensed Matter Physics written by Kurt Binder and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Monte Carlo method is now widely used and commonly accepted as an important and useful tool in solid state physics and related fields. It is broadly recognized that the technique of "computer simulation" is complementary to both analytical theory and experiment, and can significantly contribute to ad vancing the understanding of various scientific problems. Widespread applications of the Monte Carlo method to various fields of the statistical mechanics of condensed matter physics have already been reviewed in two previously published books, namely Monte Carlo Methods in Statistical Physics (Topics Curro Phys. , Vol. 7, 1st edn. 1979, 2ndedn. 1986) and Applications of the Monte Carlo Method in Statistical Physics (Topics Curro Phys. , Vol. 36, 1st edn. 1984, 2nd edn. 1987). Meanwhile the field has continued its rapid growth and expansion, and applications to new fields have appeared that were not treated at all in the above two books (e. g. studies of irreversible growth phenomena, cellular automata, interfaces, and quantum problems on lattices). Also, new methodic aspects have emerged, such as aspects of efficient use of vector com puters or parallel computers, more efficient analysis of simulated systems con figurations, and methods to reduce critical slowing down at i>hase transitions. Taken together with the extensive activity in certain traditional areas of research (simulation of classical and quantum fluids, of macromolecular materials, of spin glasses and quadrupolar glasses, etc.
Download or read book Generalized Continua from the Theory to Engineering Applications written by Holm Altenbach and published by Springer Science & Business Media. This book was released on 2012-10-18 with total page 403 pages. Available in PDF, EPUB and Kindle. Book excerpt: On the roots of continuum mechanics in differential geometry -- a review.- Cosserat media.- Cosserat-type shells.- Cosserat-type rods.- Micromorphic media.- Electromagnetism and generalized continua.- Computational methods for generalized continua. The need of generalized continua models is coming from practice. Complex material behavior sometimes cannot be presented by the classical Cauchy continua. At present the attention of the scientists in this field is focused on the most recent research items • new models, • application of well-known models to new problems, • micro-macro aspects, • computational effort, and • possibilities to identify the constitutive equations The new research directions are discussed in this volume - from the point of view of modeling and simulation, identification, and numerical methods.
