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Atomistic Simulation Methods in Solid Mechanics

Atomistic Simulation Methods in Solid Mechanics PDF Author: Zhiping Xu
Publisher: Academic Press
ISBN: 9780124077157
Category :
Languages : en
Pages : 0

Book Description
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.

Atomistic Simulation Methods in Solid Mechanics

Atomistic Simulation Methods in Solid Mechanics PDF Author: Zhiping Xu
Publisher: Academic Press
ISBN: 9780124077157
Category :
Languages : en
Pages : 0

Book Description
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.

Atomistic Modeling of Materials Failure

Atomistic Modeling of Materials Failure PDF Author: Markus J. Buehler
Publisher: Springer Science & Business Media
ISBN: 0387764267
Category : Science
Languages : en
Pages : 547

Book Description
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

Modeling Materials PDF Author: Ellad B. Tadmor
Publisher: Cambridge University Press
ISBN: 1139500651
Category : Science
Languages : en
Pages : 789

Book Description
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.

Meshless Methods in Solid Mechanics

Meshless Methods in Solid Mechanics PDF Author: Youping Chen
Publisher: Springer Science & Business Media
ISBN: 0387333681
Category : Science
Languages : en
Pages : 211

Book Description
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.

Atomistic Simulation of Anistropic Crystal Structures at Nanoscale

Atomistic Simulation of Anistropic Crystal Structures at Nanoscale PDF Author: Jia Fu
Publisher: BoD – Books on Demand
ISBN: 1838802010
Category : Computers
Languages : en
Pages : 180

Book Description
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.

Applied Mechanics of Solids

Applied Mechanics of Solids PDF Author: Allan F. Bower
Publisher: CRC Press
ISBN: 1439802483
Category : Science
Languages : en
Pages : 820

Book Description
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

Atomistic Simulation of Materials

Atomistic Simulation of Materials PDF Author: David J. Srolovitz
Publisher: Springer Science & Business Media
ISBN: 1468457039
Category : Technology & Engineering
Languages : en
Pages : 454

Book Description
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.

Computational Fluid and Solid Mechanics

Computational Fluid and Solid Mechanics PDF Author: K.J. Bathe
Publisher: Elsevier
ISBN: 0080552811
Category : Technology & Engineering
Languages : en
Pages : 975

Book Description
The MIT mission - "to bring together Industry and Academia and to nurture the next generation in computational mechanics is of great importance to reach the new level of mathematical modeling and numerical solution and to provide an exciting research environment for the next generation in computational mechanics." Mathematical modeling and numerical solution is today firmly established in science and engineering. Research conducted in almost all branches of scientific investigations and the design of systems in practically all disciplines of engineering can not be pursued effectively without, frequently, intensive analysis based on numerical computations.The world we live in has been classified by the human mind, for descriptive and analysis purposes, to consist of fluids and solids, continua and molecules; and the analyses of fluids and solids at the continuum and molecular scales have traditionally been pursued separately. Fundamentally, however, there are only molecules and particles for any material that interact on the microscopic and macroscopic scales. Therefore, to unify the analysis of physical systems and to reach a deeper understanding of the behavior of nature in scientific investigations, and of the behavior of designs in engineering endeavors, a new level of analysis is necessary. This new level of mathematical modeling and numerical solution does not merely involve the analysis of a single medium but must encompass the solution of multi-physics problems involving fluids, solids, and their interactions, involving multi-scale phenomena from the molecular to the macroscopic scales, and must include uncertainties in the given data and the solution results. Nature does not distinguish between fluids and solids and does not ever repeat itself exactly.This new level of analysis must also include, in engineering, the effective optimization of systems, and the modeling and analysis of complete life spans of engineering products, from design to fabrication, to possibly multiple repairs, to end of service.

Multiphysics Modeling: Numerical Methods and Engineering Applications

Multiphysics Modeling: Numerical Methods and Engineering Applications PDF Author: Qun Zhang
Publisher: Elsevier
ISBN: 0124077374
Category : Technology & Engineering
Languages : en
Pages : 438

Book Description
Multiphysics Modeling: Numerical Methods and Engineering Applications: Tsinghua University Press Computational Mechanics Series describes the basic principles and methods for multiphysics modeling, covering related areas of physics such as structure mechanics, fluid dynamics, heat transfer, electromagnetic field, and noise. The book provides the latest information on basic numerical methods, also considering coupled problems spanning fluid-solid interaction, thermal-stress coupling, fluid-solid-thermal coupling, electromagnetic solid thermal fluid coupling, and structure-noise coupling. Users will find a comprehensive book that covers background theory, algorithms, key technologies, and applications for each coupling method. - Presents a wealth of multiphysics modeling methods, issues, and worked examples in a single volume - Provides a go-to resource for coupling and multiphysics problems - Covers the multiphysics details not touched upon in broader numerical methods references, including load transfer between physics, element level strong coupling, and interface strong coupling, amongst others - Discusses practical applications throughout and tackles real-life multiphysics problems across areas such as automotive, aerospace, and biomedical engineering

Bridging the Time Scales

Bridging the Time Scales PDF Author: Peter Nielaba
Publisher: Springer Science & Business Media
ISBN: 3540458379
Category : Science
Languages : en
Pages : 498

Book Description
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.